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Sample records for hard sphere density

  1. Density functional theory for Baxter's sticky hard spheres in confinement

    E-print Network

    Hendrik Hansen-Goos; Mark A. Miller; J. S. Wettlaufer

    2011-12-15

    It has recently been shown that a free energy for Baxter's sticky hard sphere fluid is uniquely defined within the framework of fundamental measure theory (FMT) for the inhomogeneous hard sphere fluid, provided that it obeys scaled-particle theory and the Percus-Yevick (PY) result for the direct correlation function [Hansen-Goos and Wettlaufer, J. Chem. Phys. {\\bf 134}, 014506 (2011)]. Here, combining weighted densities from common versions of FMT with a new vectorial weighted density, we derive a regularization of the divergences of the associated strongly confined limit. Moreover, the simple free energy that emerges is exact in the zero-dimensional limit, leaves the underlying equation of state unaffected, and yields a direct correlation function distinct from the PY expression. Comparison with simulation data for both the bulk pair correlation function and the density profiles in confinement shows that the new theory is significantly more accurate than the PY-based results. Finally, the resulting free energy is applicable to a glass of adhesive hard spheres.

  2. Density functional approximation for van der Waals fluids: based on hard sphere density functional approximation

    NASA Astrophysics Data System (ADS)

    Zhou, Shi-Qi

    2007-04-01

    A universal theoretical approach is proposed which enables all hard sphere density functional approximations (DFAs) applicable to van der Waals fluids. The resultant DFA obtained by combining the universal theoretical approach with any hard sphere DFAs only needs as input a second-order direct correlation function (DCF) of a coexistence bulk fluid, and is applicable in both supercritical and subcritical temperature regions. The associated effective hard sphere density can be specified by a hard wall sum rule. It is indicated that the value of the effective hard sphere density so determined can be universal, i.e. can be applied to any external potentials different from the single hard wall. As an illustrating example, the universal theoretical approach is combined with a hard sphere bridge DFA to predict the density profile of a hard core attractive Yukawa model fluid influenced by diverse external fields; agreement between the present formalism's predictions and the corresponding simulation data is good or at least comparable to several previous DFT approaches. The primary advantage of the present theoretical approach combined with other hard sphere DFAs is discussed.

  3. Adsorption of hard spheres: structure and effective density according to the potential distribution theorem

    E-print Network

    L. L. Lee; G. Pellicane

    2012-02-20

    We propose a new type of effective densities via the potential distribution theorem. These densities are for the sake of enabling the mapping of the free energy of a uniform fluid onto that of a nonuniform fluid. The potential distribution theorem gives the work required to insert a test particle into the bath molecules under the action of the external (wall) potential. This insertion work W_ins can be obtained from Monte Carlo (MC) simulation (e.g. from Widom's test particle technique) or from an analytical theory. The pseudo-densities are constructed thusly so that when their values are substituted into a uniform-fluid equation of state (e.g. the Carnahan-Starling equation for the hard-sphere chemical potentials), the MC nonuniform insertion work is reproduced. We characterize the pseudo-density behavior for the hard spheres/hard wall system at moderate to high densities (from \\rho^*= 0.5745 to 0.9135). We adopt the MC data of Groot et al. for this purpose. The pseudo-densities show oscillatory behavior out of phase (opposite) to that of the singlet densities. We also construct a new closure-based density functional theory (the star-function based density functional theory) that can give accurate description of the MC density profiles and insertion works. A viable theory is established for several cases in hard sphere adsorption.

  4. Fundamental-measure density functional theory study of the crystal-melt interface of the hard sphere system

    E-print Network

    Song, Xueyu

    Fundamental-measure density functional theory study of the crystal-melt interface of the hard of the fundamental measure density functionals together with a new interfacial density profile parametrization were used to study the hard-sphere crystal-melt interface in the framework of the fundamental measure

  5. Equilibrium sampling of hard spheres up to the jamming density and beyond

    E-print Network

    Ludovic Berthier; Daniele Coslovich; Andrea Ninarello; Misaki Ozawa

    2015-11-19

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

  6. Density functional theory for hard-sphere mixtures: the White-Bear version Mark II

    E-print Network

    Hendrik Hansen-Goos; Roland Roth

    2006-07-27

    In the spirit of the White-Bear version of fundamental measure theory we derive a new density functional for hard-sphere mixtures which is based on a recent mixture extension of the Carnahan-Starling equation of state. In addition to the capability to predict inhomogeneous density distributions very accurately, like the original White-Bear version, the new functional improves upon consistency with an exact scaled-particle theory relation in the case of the pure fluid. We examine consistency in detail within the context of morphological thermodynamics. Interestingly, for the pure fluid the degree of consistency of the new version is not only higher than for the original White-Bear version but also higher than for Rosenfeld's original fundamental measure theory.

  7. 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.

  8. 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(?), Cu10Zr7(?), 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(?). 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.

  9. 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(?), Cu10Zr7(?), 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(?). 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

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

    PubMed

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

    2015-11-14

    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. PMID:26567639

  11. Pressure Correction in Classical Density Functional Theory: Hyper Netted Chain and Hard Sphere Bridge Functionals

    E-print Network

    Volodymyr Sergiievskyi; Guillaume Jeanmairet; Maximilien Levesque; Daniel Borgis

    2015-09-04

    Low accuracy of the Solvation Free Energy (SFE) calculation is a known problem of the numerical methods of the Integral Equation Theory of Liquids and the Classical Density Functional Theory (Classical DFT). Although functionals with empirical corrections can essentially improve the predictability of the methods, their universality is still a question. In our recent paper we connected the SFE calculation errors with the incorrect pressure in the Classical DFT and proposed the a posteriory correction to improve the results (J. Phys. Chem. Lett., 5, 1925-1942 ). This paper raised a discussion in the community. In particular, recently appeared a critical reply where pointed some thermodynamical inconsistencies of the derivations in our paper (J. Chem. Theory Comput., 11, 378-380). In the present work we re-derive the pressure correction in a more simple way and show that despite the inaccuracies during the derivation, the final form of the previously derived correction is correct. We also test the applicability of the proposed correction to the functionals which include a three- and many- body terms from the fundamental measure theory (FMT) for hard sphere fluid. We test all the functionals on a set of model systems and discuss the obtained results.

  12. Mode expansion for the density profile of crystal-fluid interfaces: Hard spheres as a test case

    E-print Network

    M. Oettel

    2012-03-16

    We present a technique for analyzing the full three-dimensional density profiles of a planar crystal-fluid interface in terms of density modes. These density modes can also be related to crystallinity order parameter profiles which are used in coarse-grained, phase field type models of the statics and dynamics of crystal-fluid interfaces and are an alternative to crystallinity order parameters extracted from simulations using local crystallinity criteria. We illustrate our results for the hard sphere system using finely-resolved, three-dimensional density profiles from density functional theory of fundamental measure type.

  13. Free energies, vacancy concentrations and density distribution anisotropies in hard--sphere crystals: A combined density functional and simulation study

    E-print Network

    M. Oettel; S. Goerig; A. Haertel; H. Loewen; M. Radu; T. Schilling

    2010-09-03

    We perform a comparative study of the free energies and the density distributions in hard sphere crystals using Monte Carlo simulations and density functional theory (employing Fundamental Measure functionals). Using a recently introduced technique (Schilling and Schmid, J. Chem. Phys 131, 231102 (2009)) we obtain crystal free energies to a high precision. The free energies from Fundamental Measure theory are in good agreement with the simulation results and demonstrate the applicability of these functionals to the treatment of other problems involving crystallization. The agreement between FMT and simulations on the level of the free energies is also reflected in the density distributions around single lattice sites. Overall, the peak widths and anisotropy signs for different lattice directions agree, however, it is found that Fundamental Measure theory gives slightly narrower peaks with more anisotropy than seen in the simulations. Among the three types of Fundamental Measure functionals studied, only the White Bear II functional (Hansen-Goos and Roth, J. Phys.: Condens. Matter 18, 8413 (2006)) exhibits sensible results for the equilibrium vacancy concentration and a physical behavior of the chemical potential in crystals constrained by a fixed vacancy concentration.

  14. Hard spheres out of equilibrium

    NASA Astrophysics Data System (ADS)

    Hermes, M.

    2010-05-01

    In this thesis, experiments and simulations are combined to investigate the nonequilibrium behaviour of hard spheres. In the first chapters we use Molecular Dynamics simulations to investigate the dynamic glass transition of polydisperse hard spheres. We show that this dynamic transition is accompanied by a thermodynamic signature. The higher-order derivatives of the pressure change abruptly at the dynamic glass transition. If a system is compressed beyond this dynamic transition, the pressure increases until it diverges when the system is completely jammed. The density at which the pressure diverges depends on the compression speed. We proceed with experiments on colloidal polymethylmethacrylate (PMMA) particles which closely resemble hard spheres. We investigate the effect of compression using gravity and electric field gradients on the nucleation and on the glass transition. The transition from glass to crystal is gradual and is strongly effected by gravity. We go back to computer simulations to investigate two different techniques to calculate the rate at which a hard-sphere system nucleates. We find that the two techniques yield similar results for the nucleation rate as well as the critical nucleus shape. From this we conclude that the simulation techniques are valid. A combination of simulations and experiments is used to study the nucleation of hard spheres on seed structures. We initiate the nucleation with a seed of particles kept in place by optical tweezers. We show that whereas the nucleation itself can be well described as an equilibrium process, the growth after nucleation can not. We demonstrate that defects play an important role in the growth of the crystal. Colloidal hard spheres can also be driven out of equilibrium using shear. We perform experiments on an equilibrium fluid phase below the coexistence density of the fluid. We show that we can induce order in an equilibrium fluid using oscillatory shear. We find five different phases for varying frequency and amplitude: four known phases and one new phase. The formation of all phases occurs via nucleation and growth and the melting, when the shear is stopped, starts on the edges and near the defects of the crystal phases. In the final chapter, we investigate the interactions between rough colloidal particles in the presence of polymers. We investigate whether surface roughness can be used to reduce the depletion attraction. We find that when the polymer is smaller than the surface roughness the attraction can be reduced significantly compared to smooth colloids.

  15. Exciting Hard Spheres

    E-print Network

    T. Antal; P. L. Krapivsky; S. Redner

    2008-05-25

    We investigate the collision cascade that is generated by a single moving incident particle on a static hard-sphere gas. We argue that the number of moving particles at time t grows as t^{xi} and the number collisions up to time t grows as t^{eta}, with xi=2d/(d+2) and eta=2(d+1)/(d+2) and d the spatial dimension. These growth laws are the same as those from a hydrodynamic theory for the shock wave emanating from an explosion. Our predictions are verified by molecular dynamics simulations in d=1 and 2. For a particle incident on a static gas in a half-space, the resulting backsplatter ultimately contains almost all the initial energy.

  16. Revisiting the real space density functional theory of hard sphere freezing in the Percus-Yevick approximation

    NASA Astrophysics Data System (ADS)

    Verma, Anurag; Ford, David M.

    2008-08-01

    Dong and Evans (DE) recently studied the freezing transition of a hard sphere fluid using classical density functional theory [J. Chem. Phys.125, 204506(2006)]. They calculated the solid-liquid coexistence densities and Lindemann parameter using a free energy perturbation truncated at second order, with the liquid-state direct correlation function (dcf) evaluated in the Percus-Yevick (PY) approximation. The density of the solid was represented in real space as a sum of Gaussian functions centered at the lattice sites; only nearest neighbor interactions were included when calculating the perturbation integrals due to the sharpness of the Gaussians and the short range of the PY dcf. We present an alternative derivation that evaluates the real space integrals in a different manner, focusing on an intermediate function that is analogous to the indirect correlation function of the Ornstein-Zernike theory. Our approach provides a basis for extending the ideas of DE to systems with longer-ranged interactions and perhaps more insight on the consequences of various assumptions. We also report an updated set of numerical values for the coexistence densities and Lindemann parameter of the hard sphere system that are consistent with our equations and those of DE; the updated coexistence densities are in better agreement with Monte Carlo values than those originally reported by DE.

  17. Hard sphere packings within cylinders

    E-print Network

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

    2015-11-26

    The packing of hard spheres (HS) of diameter $\\sigma$ in a cylinder has been used to model experimental systems, such as fullerenes in nanotubes and colloidal wire assembly. Finding the densest packings of HS under this type of confinement, however, grows increasingly complex with the cylinder diameter, $D$. Little is thus known about the densest achievable packings for $D>2.873\\sigma$. In this work, we extend the identification of the packings up to $D=4.00\\sigma$ 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 $D\\approx2.85\\sigma$, 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 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.

  18. Weighted?density?functional theory calculation of elastic constants for face?centered?cubic and body?centered?cubic hard?sphere crystals

    E-print Network

    Laird, Brian Bostian

    1992-06-01

    The isothermal elastic constants for the face?centered?cubic (fcc) and body?centered?cubic (bcc) hard?sphere crystal are calculated for a range of densities using the modified weighted?density functional of Denton and Ashcroft [Phys. Rev. A 3 9...

  19. Anisotropic pair correlations in binary and multicomponent hard-sphere mixtures in the vicinity of a hard wall: A combined density functional theory and simulation study

    NASA Astrophysics Data System (ADS)

    Härtel, Andreas; Kohl, Matthias; Schmiedeberg, Michael

    2015-10-01

    The fundamental measure approach to classical density functional theory has been shown to be a powerful tool to predict various thermodynamic properties of hard-sphere systems. We employ this approach to determine not only one-particle densities but also two-particle correlations in binary and six-component mixtures of hard spheres in the vicinity of a hard wall. The broken isotropy enables us to carefully test a large variety of theoretically predicted two-particle features by quantitatively comparing them to the results of Brownian dynamics simulations. Specifically, we determine and compare the one-particle density, the total correlation functions, their contact values, and the force distributions acting on a particle. For this purpose, we follow the compressibility route and theoretically calculate the direct correlation functions by taking functional derivatives. We usually observe an excellent agreement between theory and simulations, except for small deviations in cases where local crystal-like order sets in. Our results set the course for further investigations on the consistency of functionals as well as for structural analysis on, e.g., the primitive model. In addition, we demonstrate that due to the suppression of local crystallization, the predictions of six-component mixtures are better than those in bidisperse or monodisperse systems. Finally, we are confident that our results of the structural modulations induced by the wall lead to a deeper understanding of ordering in anisotropic systems in general, the onset of heterogeneous crystallization, caging effects, and glassy dynamics close to a wall, as well as structural properties in systems with confinement.

  20. 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.

  1. Collision statistics in sheared inelastic hard spheres

    E-print Network

    Marcus N. Bannerman; Thomas E. Green; Paul Grassia; Leo Lue

    2009-03-24

    The dynamics of sheared inelastic-hard-sphere systems are studied using non-equilibrium molecular dynamics simulations and direct simulation Monte Carlo. In the molecular dynamics simulations Lees-Edwards boundary conditions are used to impose the shear. The dimensions of the simulation box are chosen to ensure that the systems are homogeneous and that the shear is applied uniformly. Various system properties are monitored, including the one-particle velocity distribution, granular temperature, stress tensor, collision rates, and time between collisions. The one-particle velocity distribution is found to agree reasonably well with an anisotropic Gaussian distribution, with only a slight overpopulation of the high velocity tails. The velocity distribution is strongly anisotropic, especially at lower densities and lower values of the coefficient of restitution, with the largest variance in the direction of shear. The density dependence of the compressibility factor of the sheared inelastic hard sphere system is quite similar to that of elastic hard sphere fluids. As the systems become more inelastic, the glancing collisions begin to dominate more direct, head-on collisions. Examination of the distribution of the time between collisions indicates that the collisions experienced by the particles are strongly correlated in the highly inelastic systems. A comparison of the simulation data is made with DSMC simulation of the Enskog equation. Results of the kinetic model of Montanero et al. {[}Montanero et al., J. Fluid Mech. 389, 391 (1999){]} based on the Enskog equation are also included. In general, good agreement is found for high density, weakly inelastic systems.

  2. 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)].

  3. Description of hard sphere crystals and crystal-fluid interfaces: a critical comparison between density functional approaches and a phase field crystal model

    E-print Network

    M. Oettel; S. Dorosz; M. Berghoff; B. Nestler; T. Schilling

    2012-06-22

    In materials science the phase field crystal approach has become popular to model crystallization processes. Phase field crystal models are in essence Landau-Ginzburg-type models, which should be derivable from the underlying microscopic description of the system in question. We present a study on classical density functional theory in three stages of approximation leading to a specific phase field crystal model, and we discuss the limits of applicability of the models that result from these approximations. As a test system we have chosen the three--dimensional suspension of monodisperse hard spheres. The levels of density functional theory that we discuss are fundamental measure theory, a second-order Taylor expansion thereof, and a minimal phase-field crystal model. We have computed coexistence densities, vacancy concentrations in the crystalline phase, interfacial tensions and interfacial order parameter profiles, and we compare these quantities to simulation results. We also suggest a procedure to fit the free parameters of the phase field crystal model.

  4. Crystallization of hard spheres under gravity

    E-print Network

    Yan Levin

    2000-07-17

    We present a simple argument to account for crystallization of hard spheres under the action of a gravitational field. The paper attempts to bridge the gap between two communities of scientists, one working on granular materials and the other on inhomogeneous liquid state theory.

  5. THERMODYAMICS Simple Equation of State for Hard-Sphere Chains

    E-print Network

    for hard-sphere chains containing up to 201 hard-sphere seg- ments. A comparison is also presented in the prediction of chemical processes and the phase behavior of fluid mix- Z .tures Sadus, 1992 . Historically

  6. A fundamental measure theory for the sticky hard sphere fluid

    NASA Astrophysics Data System (ADS)

    Hansen-Goos, Hendrik; Wettlaufer, J. S.

    2011-01-01

    We construct a density functional theory (DFT) for the sticky hard sphere (SHS) fluid which, like Rosenfeld's fundamental measure theory (FMT) for the hard sphere fluid [Y. Rosenfeld, Phys. Rev. Lett. 63, 980 (1989)], is based on a set of weighted densities and an exact result from scaled particle theory (SPT). It is demonstrated that the excess free energy density of the inhomogeneous SHS fluid ? _{SHS} is uniquely defined when (a) it is solely a function of the weighted densities from Kierlik and Rosinberg's version of FMT [E. Kierlik and M. L. Rosinberg, Phys. Rev. A 42, 3382 (1990)], (b) it satisfies the SPT differential equation, and (c) it yields any given direct correlation function (DCF) from the class of generalized Percus-Yevick closures introduced by Gazzillo and Giacometti [J. Chem. Phys. 120, 4742 (2004)]. The resulting DFT is shown to be in very good agreement with simulation data. In particular, this FMT yields the correct contact value of the density profiles with no adjustable parameters. Rather than requiring higher order DCFs, such as perturbative DFTs, our SHS FMT produces them. Interestingly, although equivalent to Kierlik and Rosinberg's FMT in the case of hard spheres, the set of weighted densities used for Rosenfeld's original FMT is insufficient for constructing a DFT which yields the SHS DCF.

  7. 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

  8. Dynamics of heterogeneous hard spheres in a file.

    PubMed

    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(-?) for small D, where 0??<1. The initial spheres' density ? is nonuniform and scales with the distance (from the origin) l as ??l(-?), 0???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 ?t((1-?)/(2c-?)), where c=1/(1+?). The PDF of the tagged particle is gaussian in position. Generalizations of these results are considered. PMID:21230044

  9. Evolution of correlation functions in the hard sphere dynamics

    E-print Network

    Sergio Simonella

    2014-01-04

    The series expansion for the evolution of the correlation functions of a finite system of hard spheres is derived from direct integration of the solution of the Liouville equation, with minimal regularity assumptions on the density of the initial measure. The usual BBGKY hierarchy of equations is then recovered. A graphical language based on the notion of collision history originally introduced by Spohn is developed, as a useful tool for the description of the expansion and of the elimination of degrees of freedom.

  10. Evolution of Correlation Functions in the Hard Sphere Dynamics

    NASA Astrophysics Data System (ADS)

    Simonella, Sergio

    2014-06-01

    The series expansion for the evolution of the correlation functions of a finite system of hard spheres is derived from direct integration of the solution of the Liouville equation, with minimal regularity assumptions on the density of the initial measure. The usual BBGKY hierarchy of equations is then recovered. A graphical language based on the notion of collision history originally introduced by Spohn is developed, as a useful tool for the description of the expansion and of the elimination of degrees of freedom.

  11. Variational Approach to Hard Sphere Segregation under Gravity

    NASA Astrophysics Data System (ADS)

    Both, Joseph A.; Hong, Daniel C.

    2002-03-01

    It is demonstrated that the minimization of the free energy functional for hard spheres and hard disks yields the result that excited granular materials under gravity segregate not only in the widely known ``Brazil nut'' fashion, i.e., with the larger particles rising to the top, but also in reverse ``Brazil nut'' fashion. Specifically, the local density approximation is used to investigate the crossover between the two types of segregation occurring in the liquid state, and the results are found to agree qualitatively with previously published results of simulation and of a simple model based on condensation.

  12. Jamming in hard sphere and disk packings Aleksandar Donev

    E-print Network

    Torquato, Salvatore

    Jamming in hard sphere and disk packings Aleksandar Donev Program in Applied and Computational, living cells, glasses, and random media. The nature of ``jammed'' hard-particle packings is a current to assess whether a hard-sphere packing is locally, collectively, or strictly jammed, as defined by Torquato

  13. Tunable Long Range Forces Mediated by Self-Propelled Colloidal Hard Spheres

    NASA Astrophysics Data System (ADS)

    Ni, Ran; Cohen Stuart, Martien A.; Bolhuis, Peter G.

    2015-01-01

    Using Brownian dynamics simulations, we systematically study the effective interaction between two parallel hard walls in a 2D suspension of self-propelled (active) colloidal hard spheres, and we find that the effective force between two hard walls can be tuned from a long range repulsion into a long range attraction by changing the density of active particles. At relatively high densities, the active hard spheres can form a dynamic crystalline bridge, which induces a strong oscillating long range dynamic wetting repulsion between the walls. With decreasing density, the dynamic bridge gradually breaks, and an intriguing long range dynamic depletion attraction arises. A similar effect occurs in a quasi-2D suspension of self-propelled colloidal hard spheres by changing the height of the confinement. Our results open up new possibilities to manipulate the motion and assembly of microscopic objects by using active matter.

  14. Tunable long range forces mediated by self-propelled colloidal hard spheres

    E-print Network

    Ran Ni; Martien A. Cohen Stuart; Peter G. Bolhuis

    2014-12-11

    Using Brownian dynamics simulations, we systematically study the effective interaction between two parallel hard walls in a 2D suspension of self-propelled (active) colloidal hard spheres, and we find that the effective force between two hard walls can be tuned from a long range repulsion into a long range attraction by changing the density of active particles. At relatively high densities, the active hard spheres can form a dynamic crystalline bridge, which induces a strong oscillating long range dynamic wetting repulsion between the walls. With decreasing density, the dynamic bridge gradually breaks, and an intriguing long range dynamic depletion attraction arises. A similar effect occurs in a quasi-2D suspension of self-propelled colloidal hard spheres by changing the height of the confinement. Our results open up new possibilities to manipulate the motion and assembly of microscopic objects by using active matter.

  15. 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.

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

    NASA Astrophysics Data System (ADS)

    Ikeda, H.; Ikeda, A.

    2015-08-01

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

  17. The hard sphere view of the outer core

    NASA Astrophysics Data System (ADS)

    Helffrich, George

    2015-12-01

    The hard sphere model for liquids attempts to capture the physical behavior of a real liquid in a simple conceptual model: a fluid of fixed size spheres that only interact repulsively when they come into contact. Is the model good enough to use for modeling internal planetary structure? To answer this question, I survey variants of hard sphere liquid theory by applying them to the Earth's outer core to determine which of them explains wavespeeds in the outer core best. The variants explored here are the Carnahan-Starling hard sphere model, the Mansoori-Canfield extension to hard sphere mixtures, the transition metal hard sphere liquid, and the Lennard-Jones hard sphere liquid with attractive forces. With an empirical addition of a temperature dependence to the liquid's hard sphere diameter, all of the variants explored can replicate wavespeeds in most of the radius range of the outer core. The hard sphere model for liquid transition metals explains the wavespeed best because it yields a mean liquid atomic weight of 48.8 g mo l -1 at 10 wt% light element abundance in the core which is in good cosmochemical agreement with core light element models. Other variants also fit core wavespeeds but require implausibly low liquid mean atomic weight implying excessive incorporation of hydrogen or helium in the core. Applied to the detailed wavespeed structure of the Earth's outermost outer core, the model suggests that the mean atomic weight could be reduced by up to 1.74% or the temperature could be increased by up to 400 K relative to an adiabatic profile, or there could be 8% fewer valence electrons in the liquid.

  18. Interfacial free energy of a hard-sphere fluid in contact with curved hard surfaces

    E-print Network

    Laird, Brian Bostian; Hunter, Allie; Davidchack, Ruslan L.

    2012-12-20

    Using molecular-dynamics simulation, we have calculated the interfacial free energy ? between a hard-sphere fluid and hard spherical and cylindrical colloidal particles, as functions of the particle radius R and the fluid packing fraction ?=??3...

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

    NASA Astrophysics Data System (ADS)

    Mart?nez-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 ? parameter, which has been proposed as a convenient measure of depletion strength. We present closed expressions for ?, 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 ? 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 ? ˜ d3. 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 spherocylinders and spheres, the ? parameter should be of order unity as d tends to infinity.

  20. Revisit of interfacial free energy of the hard sphere system near hard wall

    E-print Network

    Mingcheng Yang; Hongru Ma

    2008-06-23

    We propose a simple Monte Carlo method to calculate the interfacial free energy between the substrate and the material. Using this method we investigate the interfacial free energys of the hard sphere fluid and solid phases near a smooth hard wall. According to the obtained interfacial free energys of the coexisting fluid and solid phases and the Young equation we are able to determine the contact angle with high accuracy, cos$\\theta$ = 1:010(31), which indicates that a smooth hard wall can be wetted completely by the hard sphere crystal at the interface between the wall and the hard sphere fluid.

  1. Phase diagrams of hard spheres with algebraic attractive interactions 

    E-print Network

    Camp, Philip J.

    2003-01-01

    The phase diagrams of systems made up of hard spheres interacting with attractive potentials of the form -1/r3+sigma are calculated using Monte Carlo simulations, second-order thermodynamic perturbation theory, and an ...

  2. Isobaric molecular dynamics simulations of hard sphere systems

    NASA Astrophysics Data System (ADS)

    Gruhn, T.; Monson, P. A.

    2001-06-01

    We describe an implementation of the Andersen algorithm for simulating the molecular dynamics in the isobaric isoenthalpic (NPH) ensemble for the hard sphere potential. The work is based on the adaptation of the Andersen algorithm to hard spheres by de Smedt et al. For a hard sphere system in the NPH ensemble, the particle velocities are not constant between collisions and we describe an efficient method for handling this part of the dynamics. The method is extended to give an NPT ensemble simulation of hard sphere systems by applying an ad hoc rescaling of the velocities. The accuracy of the algorithms is tested by comparison with traditional NVE simulation results for the structural, thermodynamic, and transport properties.

  3. Structure and kinetics in the freezing of nearly hard spheres

    E-print Network

    Jade Taffs; Stephen R. Williams; Hajime Tanaka; C. Patrick Royall

    2012-06-24

    We consider homogeneous crystallisation rates in confocal microscopy experiments on colloidal nearly hard spheres at the single particle level. These we compare with Brownian dynamics simuations by carefully modelling the softness in the interactions with a Yukawa potential, which takes account of the electrostatic charges present in the experimental system. Both structure and dynamics of the colloidal fluid are very well matched between experiment and simulation, so we have confidence that the system simulated is close to that in the experiment. In the regimes we can access, we find reasonable agreement in crystallisation rates between experiment and simulations, noting that the larger system size in experiments enables the formation of critical nuclei and hence crystallisation at lower supersaturations than the simulations. We further examine the structure of the metastable fluid with a novel structural analysis, the topological cluster classification. We find that at densities where the hard sphere fluid becomes metastable, the dominant structure is a cluster of m=10 particles with five-fold symmetry. At a particle level, we find three regimes for the crystallisation process: metastable fluid (dominated by m=10 clusters), crystal and a transition region of frequent hopping between crystal-like environments and other (m\

  4. Elasticity of a polydisperse hard-sphere crystal

    E-print Network

    Mingcheng Yang; Hongru Ma

    2008-06-19

    A general Monte Carlo simulation method of calculating the elastic constants of polydisperse hard-sphere colloidal crystal was developed. The elastic constants of a size polydisperse hard sphere fcc crystal is calculated. The pressure and three elastic constants(C11, C12 and C44) increase significantly with the polydispersity. It was also found from extrapolation that there is a mechanical terminal polydispersity above which a fcc crystal will be mechanically unstable.

  5. Investigating hard sphere interactions through spin echo scattering angle measurement

    NASA Astrophysics Data System (ADS)

    Washington, Adam

    Spin Echo Scattering Angle Measurement (SESAME) allows neutron scattering instruments to perform real space measurements on large micron scale samples by encoding the scattering angle into the neutron's spin state via Larmor precession. I have built a SESAME instrument at the Low Energy Neutron Source. I have also assisted in the construction of a modular SESAME instrument on the ASTERIX beamline at Los Alamos National lab. The ability to tune these instruments has been proved mathematically and optimized and automated experimentally. Practical limits of the SESAME technique with respect to polarization analyzers, neutron spectra, Larmor elements, and data analysis were investigated. The SESAME technique was used to examine the interaction of hard spheres under depletion. Poly(methyl methacrylate) spheres suspended in decalin had previously been studied as a hard sphere solution. The interparticle correlations between the spheres were found to match the Percus-Yevick closure, as had been previously seen in dynamical light scattering experiments. To expand beyond pure hard spheres, 900kDa polystyrene was added to the solution in concentrations of less than 1% by mass. The steric effects of the polystyrene were expected to produce a short-range, attractive, "sticky" potential. Experiment showed, however, that the "sticky" potential was not a stable state and that the spheres would eventually form long range aggregates.

  6. Phyllotactic description of hard sphere packing in cylindrical channels

    E-print Network

    Adil Mughal; Ho Kei Chan; Denis Weaire

    2011-04-12

    We develop a simple analytical theory that relates dense sphere packings in a cylinder to corresponding disk packings on its surface. It applies for ratios R=D/d (where d and D are the diameters of the hard spheres and the bounding cylinder, respectively) up to R=1+1/sin(pi/5). Within this range the densest packings are such that all spheres are in contact with the cylindrical boundary. The detailed results elucidate extensive numerical simulations by ourselves and others by identifying the nature of all competing phases.

  7. Packing Confined Hard Spheres Denser with Adaptive Prism Phases

    E-print Network

    Erdal C. O?uz; Matthieu Marechal; Fernando Ramiro-Manzano; Isabelle Rodriguez; René Messina; Francisco J. Meseguer; Hartmut Löwen

    2012-11-27

    We show that hard spheres confined between two parallel hard plates pack denser with periodic adaptive prismatic structures which are composed of alternating prisms of spheres. The internal structure of the prisms adapts to the slit height which results in close packings for a range of plate separations, just above the distance where three intersecting square layers fit exactly between the plates. The adaptive prism phases are also observed in real-space experiments on confined sterically stabilized colloids and in Monte Carlo simulations at finite pressure.

  8. Effect of H[subscript 2]O on the density of silicate melts at high pressures: Static experiments and the application of a modified hard-sphere model of equation of state

    SciTech Connect

    Jing, Zhicheng; Karato, Shun-ichiro

    2012-04-20

    Density of ultramafic silicate melts was determined using the sink/float technique at high pressures. Seven melt compositions were studied, among which three were dry compositions with different Mg's (molar MgO/(MgO + FeO) x 100) and the other four were hydrous compositions synthesized by adding 2-7 wt.% H{sub 2}O to the anhydrous ones. Experimental conditions range from 9 to 15 GPa and from 2173 to 2473 K. The sinking and floatation of density markers were observed for all melt compositions. Melt density data were analyzed by applying the Birch-Murnaghan equation of state and a newly developed equation of state for silicate melts based on the model of hard sphere mixtures. The presence of water can significantly reduce the density of melts due to its small molecular mass. On the other hand, water makes hydrous silicate melts more compressible than anhydrous melts and therefore the effect of H{sub 2}O on melt density is less significant at high pressures. The density of hydrous melts was then calculated as a function of H{sub 2}O content at the conditions of the bottom of the upper mantle, and was compared with the density of the dominant upper mantle minerals. Results show that the conditions for a negatively buoyant melt that coexists with a pyrolite mantle atop the 410 km discontinuity are marginally satisfied if H{sub 2}O is the only volatile component to facilitate melting, but such conditions will be satisfied by a broader range of conditions when other heavier volatile elements (C, K, etc.) are also present.

  9. Effect of H2O on the density of silicate melts at high pressures: Static experiments and the application of a modified hard-sphere model of equation of state

    NASA Astrophysics Data System (ADS)

    Jing, Zhicheng; Karato, Shun-ichiro

    2012-05-01

    Density of ultramafic silicate melts was determined using the sink/float technique at high pressures. Seven melt compositions were studied, among which three were dry compositions with different Mg#'s (molar MgO/(MgO + FeO) × 100) and the other four were hydrous compositions synthesized by adding 2-7 wt.% H2O to the anhydrous ones. Experimental conditions range from 9 to 15 GPa and from 2173 to 2473 K. The sinking and floatation of density markers were observed for all melt compositions. Melt density data were analyzed by applying the Birch-Murnaghan equation of state and a newly developed equation of state for silicate melts based on the model of hard sphere mixtures. The presence of water can significantly reduce the density of melts due to its small molecular mass. On the other hand, water makes hydrous silicate melts more compressible than anhydrous melts and therefore the effect of H2O on melt density is less significant at high pressures. The density of hydrous melts was then calculated as a function of H2O content at the conditions of the bottom of the upper mantle, and was compared with the density of the dominant upper mantle minerals. Results show that the conditions for a negatively buoyant melt that coexists with a pyrolite mantle atop the 410 km discontinuity are marginally satisfied if H2O is the only volatile component to facilitate melting, but such conditions will be satisfied by a broader range of conditions when other heavier volatile elements (C, K, etc.) are also present.

  10. MOLECULARPHYSICS,1998, VOL.95, No. 2, 289-297 Free volume in the hard sphere liquid

    E-print Network

    Stillinger, Frank

    time to evaluate the free-volume distribution of the hard sphere liquid over a range of densities near the freezing transition. From the distribution of free volumes, the equation of state can be obtained from the chemical potential in the vicinity of the freezing transition. 1. Introduction It is well established

  11. MOLECULAR PHYSICS, 1998, VOL. 95, NO. 2, 289 297 Free volume in the hard sphere liquid

    E-print Network

    Torquato, Salvatore

    packings. This method is used for the ® rst time to evaluate the free-volume distribution of the hard sphere liquid over a range of densities near the freezing transition. From the distribution of free-volume distribution makes it possible to calculate the chemical potential in the vicinity of the freezing transition

  12. On the impossibility of defining adhesive hard spheres as sticky limit of a hard-sphere-Yukawa potential.

    PubMed

    Gazzillo, Domenico

    2011-03-28

    For fluids of molecules with short-ranged hard-sphere-Yukawa (HSY) interactions, it is proven that the Noro-Frenkel "extended law of corresponding states" cannot be applied down to the vanishing attraction range, since the exact HSY second virial coefficient diverges in such a limit. It is also shown that, besides Baxter's original approach, a fully correct alternative definition of "adhesive hard spheres" can be obtained by taking the vanishing-range-limit (sticky limit) not of a Yukawa tail, as is commonly done, but of a slightly different potential with a logarithmic-Yukawa attraction. PMID:21456673

  13. 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 (Earth's gravity), and the emergence of face-centered-cubic (FCC) crystals late in the coarsening process (as small crystallites lost particles to the slow ripening of large crystallites). Significant quantitative findings from the microgravity experiments have been developed describing complex interactions among crystallites during the growth process, as concentration fields overlap in the surrounding disordered phase. Time-resolved Bragg scattering under microgravity captures one effect of these interactions quite conclusively for the sample at a volume fraction of 0.528. From the earliest time until the sample is almost fully crystalline, the size and overall crystallinity grow monotonically, but the number of crystallites per unit volume (number density) falls. Apparently nucleation is slower than the loss of crystallites because of the transfer of particles from small to large crystals. Thus, coarsening occurs simultaneously with growth, rather than following the completion of nucleation and growth as is generally assumed. In the same sample, an interesting signature appears in the apparent number density of crystallites and the volume fraction within the crystallites shortly before full crystallinity is reached. A brief upturn in both indicates the creation of more domains of the size of the average crystallite simultaneous with the compression of the crystallites. Only the emergence of dendritic arms offers a reasonable explanation. The arms would be "seen" by the light scattering as separate domains whose smaller radii of curvature would compress the interior phase. In fiscal year 1999, numerous papers, a doctoral dissertation, and the PHaSE final report were produced. Although this flight project has been completed, plans are in place for a follow-on colloid experiment by Chaikin and Russel that employs a light microscope within Glenn's Fluids and Combustion Facility on the International Space Station. PHaSE is providing us with a deeper understanding of the nure of phase transitions. The knowledge derived has added to the understandin

  14. Transport properties of the Fermi hard-sphere system

    E-print Network

    Mecca, Angela; Benhar, Omar; Polls, Artur

    2015-01-01

    The transport properties of neutron star matter play an important role in a variety of astrophysical processes. We report the results of a calculation of the shear viscosity and thermal conductivity coefficients of the hard-sphere fermion system of degeneracy $\

  15. Transport properties of the Fermi hard-sphere system

    E-print Network

    Angela Mecca; Alessandro Lovato; Omar Benhar; Artur Polls

    2015-11-28

    The transport properties of neutron star matter play an important role in a variety of astrophysical processes. We report the results of a calculation of the shear viscosity and thermal conductivity coefficients of the hard-sphere fermion system of degeneracy $\

  16. 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.

  17. Does confining the hard-sphere fluid between hard walls change its average properties?

    PubMed

    Mittal, Jeetain; Errington, Jeffrey R; Truskett, Thomas M

    2007-06-28

    We use grand canonical transition-matrix Monte Carlo and discontinuous molecular dynamics simulations to generate precise thermodynamic and kinetic data for the equilibrium hard-sphere fluid confined between smooth hard walls. These simulations show that the pronounced inhomogeneous structuring of the fluid normal to the confining walls, often the primary focus of density functional theory studies, has a negligible effect on many of its average properties over a surprisingly broad range of conditions. We present one consequence of this insensitivity to confinement: a simple analytical equation relating the average density of the confined fluid to that of the bulk fluid with equal activity. Nontrivial implications of confinement for average fluid properties do emerge in this system, but only when the fluid is both (i) dense and (ii) confined to a gap smaller than approximately three particle diameters. For this limited set of conditions, we find that "in-phase" oscillatory deviations in excess entropy and self-diffusivity (relative to the behavior of the bulk fluid at the same average density) occur as a function of gap size. These paired thermodynamic/kinetic deviations from bulk behavior appear to reflect the geometric packing frustration that arises when the confined space cannot naturally accommodate an integer number of particle layers. PMID:17614578

  18. Structural precursor to freezing in the hard-disk and hard-sphere systems Thomas M. Truskett,1

    E-print Network

    Structural precursor to freezing in the hard-disk and hard-sphere systems Thomas M. Truskett,1, namely, the hard-disk and hard-sphere fluids, exhibit a structural precursor to the freezing transition of the two-dimensional fluid configurations in the vicinity of the freezing transition reveals

  19. Free volume of the hard spheres gas

    NASA Astrophysics Data System (ADS)

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

    2007-05-01

    The Enskog factor ? 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 all these instances of ? amount to different ways of looking at the derivative of the free volume with respect to the packing density. We show how to compute the free volume explicitly for finitely many molecules in a finite box and demonstrate excellent agreement between its derivative and mean free paths obtained from computer simulations, where the number of molecules N varies from 1000 down to 2, and where the mean free paths vary from many times the molecular diameter at low density down to a small fraction of the molecular diameter at high density. Since the boundary corrections involved are relatively simple and intuitive this strengthens the link between the teaching of large N theory for real physical systems, and the running of small N simulations in undergraduate physics laboratories.

  20. Fractionation effects in phase equilibria of polydisperse hard sphere colloids

    E-print Network

    M. Fasolo; P. Sollich

    2004-05-26

    The equilibrium phase behaviour of hard spheres with size polydispersity is studied theoretically. We solve numerically the exact phase equilibrium equations that result from accurate free energy expressions for the fluid and solid phases, while accounting fully for size fractionation between coexisting phases. Fluids up to the largest polydispersities that we can study (around 14%) can phase separate by splitting off a solid with a much narrower size distribution. This shows that experimentally observed terminal polydispersities above which phase separation no longer occurs must be due to non-equilibrium effects. We find no evidence of re-entrant melting; instead, sufficiently compressed solids phase separate into two or more solid phases. Under appropriate conditions, coexistence of multiple solids with a fluid phase is also predicted. The solids have smaller polydispersities than the parent phase as expected, while the reverse is true for the fluid phase, which contains predominantly smaller particles but also residual amounts of the larger ones. The properties of the coexisting phases are studied in detail; mean diameter, polydispersity and volume fraction of the phases all reveal marked fractionation. We also propose a method for constructing quantities that optimally distinguish between the coexisting phases, using Principal Component Analysis in the space of density distributions. We conclude by comparing our predictions to perturbative theories for near-monodisperse systems and to Monte Carlo simulations at imposed chemical potential distribution, and find excellent agreement.

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

    E-print Network

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

    2015-08-29

    In a microcanonical ensemble (constant $NVE$, hard reflecting walls) and in a molecular dynamics ensemble (constant $NVE\\mathbf{PG}$, 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 $\\mathbf{P}$, and an overall center of mass position $\\mathbf{G}$, 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 $N$.

  2. Hard-sphere melting and crystallization with event-chain Monte Carlo

    NASA Astrophysics Data System (ADS)

    Isobe, Masaharu; Krauth, Werner

    2015-08-01

    We simulate crystallization and melting with local Monte Carlo (LMC), with event-chain Monte Carlo (ECMC), and with event-driven molecular dynamics (EDMD) in systems with up to one million three-dimensional hard spheres. We illustrate that our implementations of the three algorithms rigorously coincide in their equilibrium properties. We then study nucleation in the NVE ensemble from the fcc crystal into the homogeneous liquid phase and from the liquid into the homogeneous crystal. ECMC and EDMD both approach equilibrium orders of magnitude faster than LMC. ECMC is also notably faster than EDMD, especially for the equilibration into a crystal from a disordered initial condition at high density. ECMC can be trivially implemented for hard-sphere and for soft-sphere potentials, and we suggest possible applications of this algorithm for studying jamming and the physics of glasses, as well as disordered systems.

  3. Hard-sphere melting and crystallization with event-chain Monte Carlo

    E-print Network

    Masaharu Isobe; Werner Krauth

    2015-09-01

    We simulate crystallization and melting with local Monte Carlo (LMC), event-chain Monte Carlo (ECMC), and with event-driven molecular dynamics (EDMD) in systems with up to one million three-dimensional hard spheres. We illustrate that our implementations of the three algorithms rigorously coincide in their equilibrium properties. We then study nucleation in the NVE ensemble from the fcc crystal into the homogeneous liquid phase and from the liquid into the homogeneous crystal. ECMC and EDMD both approach equilibrium orders of magnitude faster than LMC. ECMC is also notably faster than EDMD, especially for the equilibration into a crystal from a disordered initial condition at high density. ECMC can be trivially implemented for hard-sphere and for soft-sphere potentials, and we suggest possible applications of this algorithm for studying jamming and the physics of glasses, as well as disordered systems.

  4. Complex Oscillatory Yielding of Model Hard-Sphere Glasses

    NASA Astrophysics Data System (ADS)

    Koumakis, N.; Brady, J. F.; Petekidis, G.

    2013-04-01

    The yielding behavior of hard sphere glasses under large-amplitude oscillatory shear has been studied by probing the interplay of Brownian motion and shear-induced diffusion at varying oscillation frequencies. Stress, structure and dynamics are followed by experimental rheology and Browian dynamics simulations. Brownian-motion-assisted cage escape dominates at low frequencies while escape through shear-induced collisions at high ones, both related with a yielding peak in G''. At intermediate frequencies a novel, for hard sphere glasses, double peak in G'' is revealed reflecting both mechanisms. At high frequencies and strain amplitudes a persistent structural anisotropy causes a stress drop within the cycle after strain reversal, while higher stress harmonics are minimized at certain strain amplitudes indicating an apparent harmonic response.

  5. Complex oscillatory yielding of model hard-sphere glasses.

    PubMed

    Koumakis, N; Brady, J F; Petekidis, G

    2013-04-26

    The yielding behavior of hard sphere glasses under large-amplitude oscillatory shear has been studied by probing the interplay of Brownian motion and shear-induced diffusion at varying oscillation frequencies. Stress, structure and dynamics are followed by experimental rheology and Browian dynamics simulations. Brownian-motion-assisted cage escape dominates at low frequencies while escape through shear-induced collisions at high ones, both related with a yielding peak in G''. At intermediate frequencies a novel, for hard sphere glasses, double peak in G'' is revealed reflecting both mechanisms. At high frequencies and strain amplitudes a persistent structural anisotropy causes a stress drop within the cycle after strain reversal, while higher stress harmonics are minimized at certain strain amplitudes indicating an apparent harmonic response. PMID:23679786

  6. Kinetic phase diagrams of a ternary hard sphere mixture

    E-print Network

    A. Vizcarra-Rendón; A. Puga-Candelas; S. Aranda-Espinoza; M. A. Chávez-Rojo; R. Juárez- Maldonado

    2013-08-21

    We use the Self Consisten Generalized Langevin Equation theory (SCGLE) to study the dynamic arrest transitions of a system of three species of hard sphere colloidal system in the size ratio 1:3:9. We find that the inclusion of the smallest species has a depletion effect that drives the system to a second glass-liquid-glass re-entrance in a similar way that the inclusion of a small species in an otherwise monodisperse system leads to a (first) re-entrance. And we also find that the new glass after the second reentrance has very small localization length. Additionally we compare the kinetic phase diagram of a binary hard sphere mixture with size asymmetry 1:5, obtained with Mode Coupling Theory (MCT) and SCGLE theory and exhibit the significant differences between the two theories.

  7. Tunable long range forces mediated by self-propelled colloidal hard spheres

    NASA Astrophysics Data System (ADS)

    Ni, Ran; Cohen Stuart, Martien; Bolhuis, Peter

    2015-03-01

    Most colloidal interactions can be tuned by changing properties of the medium. Here we show that activating colloidal particles with random self-propulsion can induce giant effective interactions between large objects immersed in such a suspension. Using Brownian dynamics simulations we find that the effective force between two hard walls in a 2D suspension of self-propelled (active) colloidal hard spheres can be tuned from a long range repulsion into a long range attraction by changing the active particle density. At relatively high densities, the active hard spheres can form a dynamic crystalline bridge, which induces a strong oscillating long range dynamic wetting repulsion between the walls. With decreasing density, the dynamic bridge gradually breaks, and an intriguing long range dynamic depletion attraction arises. A similar effect occurs in a quasi-2D suspension of self-propelled colloidal hard spheres by changing the height of the confinement. Our results open up new possibilities to manipulate the motion and assembly of microscopic objects by using active matter.

  8. Passive and active microrheology of hard-sphere colloids.

    PubMed

    Wilson, L G; Harrison, A W; Schofield, A B; Arlt, J; Poon, W C K

    2009-03-26

    We performed passive and active microrheology using probe particles in a bath of well-characterized, model hard-sphere colloids in the fluid state over the whole range of volume fractions below the glass transition. The probe and bath particles have nearly the same size. Passive tracking of probe particles yields short-time self-diffusion coefficients. Comparison with literature data demonstrates that the interaction between probe and bath particles is hard-sphere-like. The short-time diffusivities yield one set of microviscosities as a function of volume fraction, which agrees with previous macrorheological measurements of the high-frequency viscosity of hard-sphere colloids. Using optical tweezers, we measure the force on a trapped probe particle as the rest of the sample is translated at constant velocity. This yields a second set of microviscosities at high Péclet numbers. These agree with previous macrorheological measurements of the high-shear viscosity of similar colloids, at shear-rates below the onset of shear-thickening. PMID:19673070

  9. 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

  10. Universal Jamming Phase Diagram in the Hard-Sphere Limit

    E-print Network

    Thomas K. Haxton; Michael Schmiedeberg; Andrea J. Liu

    2010-11-30

    We present a new formulation of the jamming phase diagram for a class of glass-forming fluids consisting of spheres interacting via finite-ranged repulsions at temperature $T$, packing fraction $\\phi$ or pressure $p$, and applied shear stress $\\Sigma$. We argue that the natural choice of axes for the phase diagram are the dimensionless quantities $T/p\\sigma^3$, $p\\sigma^3/\\epsilon$, and $\\Sigma/p$, where $T$ is the temperature, $p$ is the pressure, $\\Sigma$ is the stress, $\\sigma$ is the sphere diameter, $\\epsilon$ is the interaction energy scale, and $m$ is the sphere mass. We demonstrate that the phase diagram is universal at low $p\\sigma^3/\\epsilon$; at low pressure, observables such as the relaxation time are insensitive to details of the interaction potential and collapse onto the values for hard spheres, provided the observables are non-dimensionalized by the pressure. We determine the shape of the jamming surface in the jamming phase diagram, organize previous results in relation to the jamming phase diagram, and discuss the significance of various limits.

  11. Calculation of the interfacial free energy of a binary hard-sphere fluid at a planar hard wall

    E-print Network

    Kern, Jesse L.; Laird, Brian Bostian

    2014-01-08

    Using molecular-dynamics simulation and Gibbs-Cahn Integration, we calculate the interfacial free energy ? of a binary hard-sphere fluid mixture at a structureless, planar hard wall. The calculation is performed as a function of packing fraction...

  12. ESTIMATING THE DENSITY OF DRY SNOW LAYERS FROM HARDNESS, AND HARDNESS FROM DENSITY

    E-print Network

    Jamieson, Bruce

    ESTIMATING THE DENSITY OF DRY SNOW LAYERS FROM HARDNESS, AND HARDNESS FROM DENSITY Daehyun Kim 1 and hardness of dry snow layers for common grain types. These relations have been widely used to estimate), and to estimate the hardness of layers in snowpack evolution models. Since 2000, the database of snow layers has

  13. Uniform shear flow in dissipative gases. Computer simulations of inelastic hard spheres and (frictional) elastic hard spheres

    E-print Network

    A. Astillero; A. Santos

    2005-08-30

    In the preceding paper (cond-mat/0405252), we have conjectured that the main transport properties of a dilute gas of inelastic hard spheres (IHS) can be satisfactorily captured by an equivalent gas of elastic hard spheres (EHS), 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 $0.5\\leq \\alpha\\leq 0.95$ and two values of the imposed shear rate $a$. 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. The EHS results are in general hardly distinguishable from the IHS ones if $\\alpha\\gtrsim 0.7$, so that the distinct signature of the IHS gas (higher anisotropy and overpopulation) only manifests itself at relatively high dissipations

  14. Crystallization and dynamical arrest of attractive hard spheres.

    PubMed

    Babu, Sujin; Gimel, Jean-Christophe; Nicolai, Taco

    2009-02-14

    Crystallization of hard spheres interacting with a square well potential was investigated by numerical simulations using so-called Brownian cluster dynamics. The phase diagram was determined over a broad range of volume fractions. The crystallization rate was studied as a function of the interaction strength expressed in terms of the second virial coefficient. For volume fractions below about 0.3 the rate was found to increase abruptly with increasing attraction at the binodal of the metastable liquid-liquid phase separation. The rate increased until a maximum was reached after which it decreased with a power law dependence on the second virial coefficient. Above a critical percolation concentration, a transient system spanning network of connected particles was formed. Crystals were formed initially as part of the network, but eventually crystallization led to the breakup of the network. The lifetime of the transient gels increased very rapidly over a small range of interaction energies. Weak attraction destabilized the so-called repulsive crystals formed in pure hard sphere systems and shifted the coexistence line to higher volume fractions. Stronger attraction led to the formation of a denser, so-called attractive, crystalline phase. Nucleation of attractive crystals in the repulsive crystalline phase was observed close to the transition. PMID:19222281

  15. 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.

  16. Nature of the breakdown in the Stokes-Einstein relationship in a hard sphere fluid

    NASA Astrophysics Data System (ADS)

    Kumar, Sanat K.; Szamel, Grzegorz; Douglas, Jack F.

    2006-06-01

    Molecular dynamics simulations of high density hard sphere fluids clearly show a breakdown of the Stokes-Einstein equation (SE). This result has been conjectured to be due to the presence of mobile particles, i.e., ones which have the propensity to "hop" distances that are integer multiples of the interparticle distance. We conclusively show that the sedentary particles, i.e., ones complementary to the "hoppers," obey the SE relationship to a good approximation, even though the fluid as a whole violates the SE equation at high densities. These results support the notion that the unusual diffusive behavior of supercooled liquids is dominated by the hopping particles.

  17. 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 ?J 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 ?J 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

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

    PubMed

    Zhao, Nanrong; Sugiyama, Masaru; Ruggeri, Tommaso

    2008-08-01

    Dynamic phase transition induced by a shock wave in hard-sphere and hard-disk systems is studied on the basis of the system of Euler equations with caloric and thermal equations of state. First, Rankine-Hugoniot conditions are analyzed. The quantitative classification of Hugoniot types in terms of the thermodynamic quantities of the unperturbed state (the state before a shock wave) and the shock strength is made. Especially Hugoniot in typical two possible cases (P-1 and P-2) of the phase transition is analyzed in detail. In the case P-1 the phase transition occurs between a metastable liquid state and a stable solid state, and in the case P-2 the phase transition occurs through coexistence states, when the shock strength changes. Second, the admissibility of the two cases is discussed from a viewpoint of the recent mathematical theory of shock waves, and a rule with the use of the maximum entropy production rate is proposed as the rule for selecting the most probable one among the possible cases, that is, the most suitable constitutive equation that predicts the most probable shock wave. According to the rule, the constitutive equation in the case P-2 is the most promising one in the dynamic phase transition. It is emphasized that hard-sphere and hard-disk systems are suitable reference systems for studying shock wave phenomena including the shock-induced phase transition in more realistic condensed matters. PMID:18698913

  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. Jamming Transition and Inherent Structures of Hard Spheres and Discs

    E-print Network

    Misaki Ozawa; Takeshi Kuroiwa; Atsushi Ikeda; Kunimasa Miyazaki

    2012-11-17

    Recent studies show that volume fractions $\\phiJ$ at the jamming transition of frictionless hard spheres and discs are not uniquely determined but exist over a continuous range. Motivated by this observation, we numerically investigate dependence of $\\phiJ$ on the initial configurations of the parent fluids equilibrated at a fraction $\\phiini$, before compressing to generate a jammed packing. We find that $\\phiJ$ remains constant when $\\phiini$ is small but sharply increases when $\\phiini$ 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 $\\phiJ$ is accompanied with subtle but distinct changes of (i) local orders, (ii) a static length scale, and (iii) an exponent of the finite size scaling. These results quantitatively support the scenario of the random first order transition theoryof the glass transition.

  1. Diffusion of concentrated neutral hard-sphere colloidal suspensions

    SciTech Connect

    Verberg, R.; Schepper, I. M. de; Cohen, E. G. D.

    2000-03-01

    We evaluate theoretical expressions for the long-time wave-number-dependent self-diffusion and collective diffusion coefficients D{sub S}{sup L}(k,{phi}) and D{sup L}(k,{phi}), respectively, as a function of volume fraction {phi} and wave vector k for neutral monodisperse hard-sphere colloidal suspensions over the entire fluid range. The theory is based on the Smoluchowski equation with mean-field-like hydrodynamic interactions, cage diffusion, and is free of adjustable parameters. The basic physical mechanisms underlying our formulas are discussed and the results are compared with recent experimental results by Segre and Pusey [Phys. Rev. Lett. 77, 771 (1996)]. (c) 2000 The American Physical Society.

  2. Characterization of fluid-solid phase transition of hard-sphere fluids in cylindrical pore via molecular dynamics simulation

    E-print Network

    Singh, Jayant K.

    to use the hard cylindrical wall with hard-sphere model out of many candi- date models due to itsCharacterization of fluid-solid phase transition of hard-sphere fluids in cylindrical pore via;Characterization of fluid-solid phase transition of hard-sphere fluids in cylindrical pore via molecular dynamics

  3. Percolation in suspensions of hard nanoparticles: From spheres to needles

    NASA Astrophysics Data System (ADS)

    Schilling, Tanja; Miller, Mark A.; van der Schoot, Paul

    2015-09-01

    We investigate geometric percolation and scaling relations in suspensions of nanorods, covering the entire range of aspect ratios from spheres to extremely slender needles. A new version of connectedness percolation theory is introduced and tested against specialised Monte Carlo simulations. The theory accurately predicts percolation thresholds for aspect ratios of rod length to width as low as 10. The percolation threshold for rod-like particles of aspect ratios below 1000 deviates significantly from the inverse aspect ratio scaling prediction, thought to be valid in the limit of infinitely slender rods and often used as a rule of thumb for nanofibres in composite materials. Hence, most fibres that are currently used as fillers in composite materials cannot be regarded as practically infinitely slender for the purposes of percolation theory. Comparing percolation thresholds of hard rods and new benchmark results for ideal rods, we find that i) for large aspect ratios, they differ by a factor that is inversely proportional to the connectivity distance between the hard cores, and ii) they approach the slender rod limit differently.

  4. Percolation in suspensions of hard nanoparticles: From spheres to needles

    E-print Network

    Tanja Schilling; Mark Miller; Paul van der Schoot

    2015-07-07

    We investigate geometric percolation and scaling relations in suspensions of nanorods, covering the entire range of aspect ratios from spheres to extremely slender needles. A new version of connectedness percolation theory is introduced and tested against specialized Monte Carlo simulations. The theory accurately predicts percolation thresholds for aspect ratios as low as 10. The percolation threshold for rod-like particles of aspect ratios below 1000 deviates significantly from the inverse aspect ratio scaling prediction, thought to be valid in the limit of infinitely slender rods and often used as a rule of thumb for nano-fibers in composite materials. Hence, most fibers that are currently used as fillers in composite materials cannot be regarded as practically infinitely slender for the purposes of percolation theory. Comparing percolation thresholds of hard rods and new benchmark results for ideal rods, we find that (i) for large aspect ratios, they differ by a factor that is inversely proportional to the connectivity distance between the hard cores, and (ii) they approach the slender rod limit differently.

  5. Regularized 13 moment equations for hard sphere molecules: Linear bulk Henning Struchtrup and Manuel Torrilhon

    E-print Network

    Struchtrup, Henning

    Regularized 13 moment equations for hard sphere molecules: Linear bulk equations Henning Struchtrup moment equations for hard sphere molecules: Linear bulk equations Henning Struchtrup1,a) and Manuel Grad-type moment system, which is systematically reduced by means of the Order of Magnitude Method [H

  6. Binary hard-sphere crystals with the cesium chloride structure A. B. Schofield

    E-print Network

    Schofield, Andrew B.

    Binary hard-sphere crystals with the cesium chloride structure A. B. Schofield Department The possibility of binary hard-sphere colloids crystallizing with the cesium chloride CsCl structure was examined to have the CsCl structure. Over a period of time some of the CsCl crystals disappeared indicating

  7. First-principle proof of the modified collision boundary conditions for the hard-sphere system

    NASA Astrophysics Data System (ADS)

    Tessarotto, Massimo; Cremaschini, Claudio

    2014-05-01

    A fundamental issue lying at the foundation of classical statistical mechanics is the determination of the collision boundary conditions that characterize the dynamical evolution of multi-particle probability density functions (PDF) and are applicable to systems of hard-spheres undergoing multiple elastic collisions. In this paper it is proved that, when the deterministic N-body PDF is included in the class of admissible solutions of the Liouville equation, the customary form of collision boundary conditions adopted in previous literature becomes physically inconsistent and must actually be replaced by suitably modified collision boundary conditions.

  8. Ising low-temperature polynomials and hard-sphere gases on cubic lattices of general dimension

    E-print Network

    P. Butera; M. Pernici

    2015-10-21

    We derive and analyze the low-activity and low-density expansions of the pressure for the model of a hard-sphere gas on cubic lattices of general dimension $d$, through the 13th order. These calculations are based on our recent extension to dimension d of the low-temperature expansions for the specific free-energy of the spin-1/2 Ising models subject to a uniform magnetic field on the (hyper-)simple-cubic lattices. Estimates of the model parameters are given also for some other lattices

  9. Ising low-temperature polynomials and hard-sphere gases on cubic lattices of general dimension

    E-print Network

    Butera, P

    2015-01-01

    We derive and analyze the low-activity and low-density expansions of the pressure for the model of a hard-sphere gas on cubic lattices of general dimension $d$, through the 13th order. These calculations are based on our recent extension to dimension d of the low-temperature expansions for the specific free-energy of the spin-1/2 Ising models subject to a uniform magnetic field on the (hyper-)simple-cubic lattices. Estimates of the model parameters are given also for some other lattices

  10. Interfacial free energy calculation of a binary hard-sphere fluid at a hard wall by Gibbs-Cahn Integration

    NASA Astrophysics Data System (ADS)

    Kern, Jesse; Laird, Brian

    2013-03-01

    The interfacial free energy, ?, of fluids at surfaces is a parameter that is central to a number of technologically important phenomena, such as wetting, nucleation and the stability and self assembly of colloidal particles in solution. In recent years, our group has developed techniques to determine ? from atomistic simulation. In this work, we apply one of these methods, Gibbs-Cahn Integration, to determine ? for a model two-component (binary) mixture of hard spheres. Molecular dynamics simulation is used to characterize a hard-sphere fluid mixture in a slit-pore confined geometry as packing fraction, mole fraction, and diameter ratio are varied. We find that recent theoretical predictions from the White Bear II classical density functional theory [Roth et al., J. Phys.: Condens. Matter, 18, 8413, (2006)] agree well with our computational results We also observe that, for this model system, the preferential adsorption of one particle species over the other contributes negligibly to the interfacial free energy at modest diameter ratios.

  11. low-density particles include spheres with silicate cores and organic mantles, carbonaceous spheres,

    E-print Network

    Napp, Nils

    low-density particles include spheres with silicate cores and organic mantles, carbonaceous spheres dust particles consist of compact silicates with optical properties similar to those assumed with astronomical observations (45). By contrast, if large interstellar dust particles have low den- sities, which

  12. Density Functional Theory for Hard Polyhedra

    NASA Astrophysics Data System (ADS)

    Marechal, Matthieu; Löwen, Hartmut

    2013-03-01

    Using the framework of geometry-based fundamental-measure theory, we develop a classical density functional for hard polyhedra and their mixtures and apply it to inhomogeneous fluids of Platonic solids near a hard wall. As revealed by Monte Carlo simulations, the faceted shape of the polyhedra leads to complex layering and orientational ordering near the wall, which is excellently reproduced by our theory. These effects can be verified in real-space experiments on polyhedral colloids.

  13. Avalanches mediate crystallization in a hard-sphere glass

    E-print Network

    Eduardo Sanz; Chantal Valeriani; Emanuela Zaccarelli; Wilson C K Poon; Michael E Cates; Peter N Pusey

    2014-04-02

    By molecular-dynamics simulations, we have studied the devitrification (or crystallization) of aged hard-sphere glasses. First, we find that the dynamics of the particles are intermittent: Quiescent periods, when the particles simply "rattle" in their nearest-neighbor cages, are interrupted by abrupt "avalanches," where a subset of particles undergo large rearrangements. Second, we find that crystallization is associated with these avalanches but that the connection is not straightforward. The amount of crystal in the system increases during an avalanche, but most of the particles that become crystalline are different from those involved in the avalanche. Third, the occurrence of the avalanches is a largely stochastic process. Randomizing the velocities of the particles at any time during the simulation leads to a different subsequent series of avalanches. The spatial distribution of avalanching particles appears random, although correlations are found among avalanche initiation events. By contrast, we find that crystallization tends to take place in regions that already show incipient local order.

  14. Avalanches mediate crystallization in a hard-sphere glass.

    PubMed

    Sanz, Eduardo; Valeriani, Chantal; Zaccarelli, Emanuela; Poon, Wilson C K; Cates, Michael E; Pusey, Peter N

    2014-01-01

    By molecular-dynamics simulations, we have studied the devitrification (or crystallization) of aged hard-sphere glasses. First, we find that the dynamics of the particles are intermittent: Quiescent periods, when the particles simply "rattle" in their nearest-neighbor cages, are interrupted by abrupt "avalanches," where a subset of particles undergo large rearrangements. Second, we find that crystallization is associated with these avalanches but that the connection is not straightforward. The amount of crystal in the system increases during an avalanche, but most of the particles that become crystalline are different from those involved in the avalanche. Third, the occurrence of the avalanches is a largely stochastic process. Randomizing the velocities of the particles at any time during the simulation leads to a different subsequent series of avalanches. The spatial distribution of avalanching particles appears random, although correlations are found among avalanche initiation events. By contrast, we find that crystallization tends to take place in regions that already show incipient local order. PMID:24306932

  15. Complex oscillatory yielding in model hard sphere glasses

    NASA Astrophysics Data System (ADS)

    Petekidis, George; Koumakis, Nick

    2012-02-01

    The yielding behaviour of hard sphere glasses under large amplitude oscillatory shear has been studied by experimental rheology and Brownian Dynamics simulations. Here we focus on varying the frequency of oscillation probing the interplay between Brownian motion and shear-induced diffusion. Stress, structure and dynamics are followed by rheology and BD simulations Two frequency regimes are revealed: At low frequencies Brownian motion is dominant, assisting particles to escape their cage during a single step yielding process, identified by a peak of G'' at around the G'=G'' crossover. At high frequencies shear induced particle collisions causes cage breaking with the maximum energy dissipation marked by the G'' peak taking place beyond the G'=G'' crossover. Intermediate frequencies present a complex yielding behaviour influenced by both mechanisms that leads to a double peak in G'' that has not been reported before in HS glasses. The nonlinear response is quantified by the higher harmonics present in the stress signal. While at low frequencies the strength of higher harmonics reaches a constant value at high strains, in the intermediate and high frequency regime a non-monotonic behaviour is detected with characteristic large amplitude strains exhibiting apparent harmonic response.

  16. Crystallization time scales for polydisperse hard-sphere fluids.

    PubMed

    Vargas, M Cristina; Pérez-Ángel, Gabriel

    2013-04-01

    We study the evolution of crystallization in dense mono- and polydisperse hard sphere fluids, initially quenched to an amorphous configuration. We use as signatures of crystallization both the decay of the reduced pressure Z and the increase in the local and global orientational order parameters Q[over ¯](6). For a given realization of the crystallization process these parameters show sudden changes, both large and small, separated by long periods of quiescence. However, averaging over a large number of realizations, a well-defined scenario for their evolution appears. We find an initial fast relaxation to a disordered state, followed by a period of slow variation, associated to the presence of nucleation events, followed by a fast change, composed of the growth of a few crystals with different orientations, and a final and slow coarsening in a domain-growth process. No clear scaling for this whole process was found. We also find that the transition to an stable glassy fluid is quite sharp as the polydispersity is increased, showing a probable first-order phase transition behavior. A well-defined boundary between crystallizing and permanently amorphous fluids should exist, at least for a region in packing fractions. We looked for segregation at large values of polydispersity, but no effects of this type were found. PMID:23679420

  17. Even hard-sphere colloidal suspensions display Fickian yet non-Gaussian diffusion.

    PubMed

    Guan, Juan; Wang, Bo; Granick, Steve

    2014-04-22

    We scrutinize three decades of probability density displacement distribution in a simple colloidal suspension with hard-sphere interactions. In this index-matched and density-matched solvent, fluorescent tracer nanoparticles diffuse among matrix particles that are eight times larger, at concentrations from dilute to concentrated, over times up to when the tracer diffuses a few times its size. Displacement distributions of tracers, Gaussian in pure solvent, broaden systematically with increasing obstacle density. The onset of non-Gaussian dynamics is seen in even modestly dilute suspensions, which traditionally would be assumed to follow classic Gaussian expectation. The findings underscore, in agreement with recent studies of more esoteric soft matter systems, the prevalence of non-Gaussian yet Fickian diffusion. PMID:24646449

  18. Orientational ordering and phase behaviour of a binary mixture of hard spheres and hard spherocylinders

    E-print Network

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

    2015-08-16

    We study structure and fluid-phase behaviour of a binary mixture of hard spheres (HSs) and hard spherocylinders (HSCs) in isotropic and nematic states using the $NP_nAT$ ensemble Monte Carlo (MC) method in which a normal pressure tensor component 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 increase 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 approximation [Malijevsk\\'y {\\it at al} J. Chem. Phys. \\textbf{129}, 144504 (2008)]. In the one-fluid version of the theory the properties of the mixture are mapped on 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 mixtures.

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

    NASA Astrophysics Data System (ADS)

    Paricaud, P.

    2015-07-01

    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.

  20. Free-energy functional for freezing transitions: Hard sphere systems freezing into crystalline and amorphous structures

    E-print Network

    Swarn Lata Singh; Atul S. Bharadwaj; Yashwant Singh

    2011-01-31

    A free-energy functional that contains both the symmetry conserved and symmetry broken parts of the direct pair correlation function has been used to investigate the freezing of a system of hard spheres into crystalline and amorphous structures. The freezing parameters for fluid-crystal transition have been found to be in very good agreement with the results found from simulations. We considered amorphous structures found from the molecular dynamics simulations at packing fractions $\\eta$ lower than the glass close packing fraction $\\eta_{J}$ and investigated their stability compared to that of a homogeneous fluid. The existence of free-energy minimum corresponding to a density distribution of overlapping Gaussians centered around an amorphous lattice depicts the deeply supercooled state with a heterogeneous density profile.

  1. Bosonic hard spheres in quasi-one-dimensional bichromatic optical lattices

    NASA Astrophysics Data System (ADS)

    Gordillo, M. C.; Carbonell-Coronado, C.; De Soto, F.

    2015-04-01

    We calculated the phase diagram of a continuous system of hard spheres loaded in a quasi-one-dimensional bichromatic optical lattice. The wavelengths of both lattice-defining lasers were chosen to model an incommensurate arrangement. Densities of one particle and half a particle per potential well were considered. Our results can be compared directly to those of the experimental system [L. Fallani, J. E. Lye, V. Guarrera, C. Fort, and M. Inguscio, Phys. Rev. Lett. 98, 130404 (2007), 10.1103/PhysRevLett.98.130404] from which our initial parameters were taken. The phase diagrams for both densities are significatively different from those obtained by describing the same experimental setup with a Bose-Hubbard model.

  2. Crystal-melt interfacial free energy of binary hard spheres from capillary fluctuations

    E-print Network

    Amini, M.; Laird, Brian Bostian

    2008-10-30

    Using molecular-dynamics simulation coupled with an analysis of equilibrium capillary fluctuations in interfacial position, we compute the magnitude and anisotropy of the interfacial free energy ? for a binary hard-sphere system with a diameter...

  3. One and two point micro-rheology of hard sphere suspensions 

    E-print Network

    Harrison, Andrew William

    2011-11-23

    The material that is covered in this thesis concerns the calibration and application of a set of optical tweezers to be used for one- and two-point micro-rheology experiments on hard sphere colloidal suspensions. The ...

  4. The anisotropic hard-sphere crystal-melt interfacial free energy from fluctuations

    E-print Network

    Davidchack, Ruslan L.; Morris, James R.; Laird, Brian Bostian

    2006-09-05

    We have calculated the interfacial free energy for the hard-sphere system, as a function of crystal interface orientation, using a method that examines the fluctuations in the height of the interface during molecular dynamics simulations...

  5. Kinetic coefficient for hard-sphere crystal growth from the melt

    E-print Network

    Laird, Brian Bostian; Amini, M.

    2006-11-24

    Using molecular-dynamics simulation, we determine the magnitude and anisotropy of the kinetic coefficient (mu) for the crystal growth from the melt for the hard-sphere system through an analysis of equilibrium capillary fluctuations in interfacial...

  6. Calculation of the entropy of binary hard sphere mixtures from pair correlation functions

    E-print Network

    Laird, Brian Bostian; Haymet, A. D. J.

    1992-06-01

    We evaluate the entropy of several binary hard sphere fluid mixtures using two approximate expressions that require as input only the pair correlation functions,g ??(r). An approximation based on the incompressible limit is found to be accurate...

  7. 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.

  8. Direct simulation of diatomic gases using the generalized hard sphere model

    NASA Technical Reports Server (NTRS)

    Hash, D. B.; Hassan, H. A.

    1993-01-01

    The generalized hard sphere model which incorporates the effects of attraction and repulsion is used to predict flow measurements in tests involving extremely low freestream temperatures. For the two cases considered, a Mach 26 nitrogen shock and a Mach 20 nitrogen flow over a flat place, only rotational excitation is deemed important, and appropriate modifications for the Borgnakke-Larsen procedure are developed. In general, for the cases considered, the present model performed better than the variable hard sphere model.

  9. 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 ? 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.

  10. Helical Defect Packings in a Quasi-One-Dimensional System of Cylindrically Confined Hard Spheres

    NASA Astrophysics Data System (ADS)

    Yamchi, Mahdi Zaeifi; Bowles, Richard K.

    2015-07-01

    We use a combination of analytical theory and molecular dynamics simulation to study the inherent structure landscape of a system of hard spheres confined to narrow cylindrical channels of diameter 1 +?{3 }/2 density and alters the local packing structure. The helical sections between defects become asymmetrical and are better described as a double helix with angular twists between the first and second nearest neighbors that are determined by the defect separation distance. Increasing the fraction of defects unwinds the two helical strands so that the least dense structure is a nonhelical packing of two zigzag chains. We also show that the packing effects of the helical section induce a long-range, entropically driven attraction between the defects.

  11. Algebraic Correlations of Hard Spheres in a Rectangular Box

    NASA Astrophysics Data System (ADS)

    Akaishi, Akira; Shudo, Akira

    2008-02-01

    We investigate the slow dynamics for hard-disk systems confined in the rectangular box. Phase space contains a family of marginally unstable periodic orbits, called bouncing ball orbits (BBOs), in which all particles move only in either the vertical or the horizontal direction. We derive the exponent ? = 4 for the asymptotic power law decay in the recurrence time distribution by estimating residence time around BBOs in the two hard-disk system. On the basis of a dimensionality argument, we also give the exponent as ? = N+2 for generic N hard-disk systems. Numerical calculations are in good agreement with these theoretical predictions.

  12. 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.

  13. Short-wavelength collective modes in a binary hard-sphere mixture

    E-print Network

    M. Cristina Marchetti; Supurna Sinha

    2006-05-03

    We use hard-sphere generalized hydrodynamic equations to discuss the extended hydrodynamic modes of a binary mixture. The theory presented here is analytic and it provides us with a simple description of the collective excitations of a dense binary mixture at molecular length scales. The behavior we predict is in qualitative agreement with molecular-dynamics results for soft-sphere mixtures. This study provides some insight into the role of compositional disorder in forming glassy configurations.

  14. 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.

  15. Computation of structure factors of liquid metals by use of the sticky-hard-sphere potential

    NASA Astrophysics Data System (ADS)

    Gopala Rao, R. V.; Venkatesh, R.

    1990-07-01

    The structure factors of several liquid metals have been calculated through the Baxter solution of the Percus-Yevick equation for a sticky-hard-sphere potential. The computed structure factors are in excellent agreement with experiment, thus showing that the sticky-hard-sphere model, which has only two parameters, is quite good in explaining structural properties. From the calculated structure factors the corresponding radial distribution functions g(r) have been computed for different metals and, hence, the nearest-neighbor distance, the coordination number, and the Ashcroft effective number of electrons per metallic atom.

  16. 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 (?B2/?T < 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

  17. Demixing and confinement of non-additive hard-sphere mixtures in slit pores.

    PubMed

    Almarza, N G; Martín, C; Lomba, E; Bores, C

    2015-01-01

    Using Monte Carlo simulation, we study the influence of geometric confinement on demixing for a series of symmetric non-additive hard spheres mixtures confined in slit pores. We consider both a wide range of positive non-additivities and a series of pore widths, ranging from the pure two dimensional limit to a large pore width where results are close to the bulk three dimensional case. Critical parameters are extracted by means of finite size analysis. As a general trend, we find that for this particular case in which demixing is induced by volume effects, the critical demixing densities (and pressures) increase due to confinement between neutral walls, following the expected behavior for phase equilibria of systems confined by pure repulsive walls: i.e., confinement generally enhances miscibility. However, a non-monotonous dependence of the critical pressure and density with pore size is found for small non-additivities. In this latter case, it turns out that an otherwise stable bulk mixture can be unexpectedly forced to demix by simple geometric confinement when the pore width decreases down to approximately one and a half molecular diameters. PMID:25573573

  18. On the evolution of the empirical measure for the Hard-Sphere dynamics

    E-print Network

    Mario Pulvirenti; Sergio Simonella

    2015-04-13

    We prove that the evolution of marginals associated to the empirical measure of a finite system of hard spheres is driven by the BBGKY hierarchical expansion. The usual hierarchy of equations for $L^1$ measures is obtained as a corollary. We discuss the ambiguities arising in the corresponding notion of microscopic series solution to the Boltzmann-Enskog equation.

  19. Model energy landscapes of low-temperature fluids: Dipolar hard spheres Dmitry V. Matyushov*

    E-print Network

    Matyushov, Dmitry

    Model energy landscapes of low-temperature fluids: Dipolar hard spheres Dmitry V. Matyushov* Center-Gaussian energy landscape of low-temperature fluids is developed based on the thermodynamics of the fluid order. Significant non-Gaussianity of the energy landscape is responsible for narrowing

  20. Min-type Morse theory for configuration spaces of hard spheres

    E-print Network

    Yuliy Baryshnikov; Peter Bubenik; Matthew Kahle

    2011-08-29

    We study configuration spaces of hard spheres in a bounded region. We develop a general Morse-theoretic framework, and show that mechanically balanced configurations play the role of critical points. As an application, we find the precise threshold radius for a configuration space to be homotopy equivalent to the configuration space of points.

  1. Effects of shear induced crystallization on the rheology and ageing of hard sphere glasses

    E-print Network

    Schofield, Andrew B.

    Effects of shear induced crystallization on the rheology and ageing of hard sphere glasses N ageing to the glass (with a logarithmic increase of G0 ), indicating that the shear induced structure) and hexagonally close packed (hcp) regions that are randomly orientated9 which may age with time into a pure fcc

  2. 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

  3. Anisotropic Interfacial Free Energies of the Hard-Sphere Crystal-Melt Interfaces Yan Mu, Andrew Houk, and Xueyu Song*

    E-print Network

    Song, Xueyu

    Anisotropic Interfacial Free Energies of the Hard-Sphere Crystal-Melt Interfaces Yan Mu, Andrew-melt interfacial free energy calculations using capillary wave approach. Using this method, we have calculated the free energies of the fcc crystal-melt interfaces for the hard-sphere system as a function of crystal

  4. Equivalence of Glass Transition and Colloidal Glass Transition in the Hard-Sphere Limit Thomas K. Haxton,2

    E-print Network

    Weeks, Eric R.

    Equivalence of Glass Transition and Colloidal Glass Transition in the Hard-Sphere Limit Ning Xu,1 that the slowing of the dynamics in simulations of several model glass-forming liquids is equivalent to the hard-sphere glass transition in the low-pressure limit. In this limit, we find universal behavior of the relaxation

  5. Signatures of Glass Formation in a Fluidized Bed of Hard Spheres Daniel I. Goldman* and Harry L. Swinney

    E-print Network

    Signatures of Glass Formation in a Fluidized Bed of Hard Spheres Daniel I. Goldman* and Harry L bed of hard spheres during defluidization displays properties associated with formation of a glass with increasing time and length scales. The formation of a glass results in the arrest of macroscopic particle

  6. Rolling friction for hard cylinder and sphere on viscoelastic solid

    E-print Network

    B. N. J. Persson

    2010-08-26

    We calculate the friction force acting on a hard cylinder or spherical ball rolling on a flat surface of a viscoelastic solid. The rolling friction coefficient depends non-linearly on the normal load and the rolling velocity. For a cylinder rolling on a viscoelastic solid characterized by a single relaxation time Hunter has obtained an exact result for the rolling friction, and our result is in very good agreement with his result for this limiting case. The theoretical results are also in good agreement with experiments of Greenwood and Tabor. We suggest that measurements of rolling friction over a wide range of rolling velocities and temperatures may constitute an useful way to determine the viscoelastic modulus of rubber-like materials.

  7. Simulations of binary hard-sphere crystal-melt interfaces: Interface between a one-component fcc crystal and a binary fluid mixture

    E-print Network

    Sibug-Aga, Rachel; Laird, Brian Bostian

    2002-01-01

    The crystal-melt interfaces of a binary hard-sphere fluid mixture in coexistence with a single-component hard-sphere crystal is investigated using molecular-dynamics simulation. In the system under study, the fluid phase ...

  8. Layering, freezing and re-entrant melting of hard spheres in soft confinement

    E-print Network

    Tine Curk; Anouk de Hoogh; Francisco J. Martinez-Veracoechea; Erika Eiser; Daan Frenkel; Jure Dobnikar; Mirjam E. Leunissen

    2012-12-13

    Confinement can have a dramatic effect on the behavior of all sorts of particulate systems and it therefore is an important phenomenon in many different areas of physics and technology. Here, we investigate the role played by the softness of the confining potential. Using grand canonical Monte Carlo simulations, we determine the phase diagram of three-dimensional hard spheres that in one dimension are constrained to a plane by a harmonic potential. The phase behavior depends strongly on the density and on the stiffness of the harmonic confinement. Whilst we find the familiar sequence of confined hexagonal and square-symmetric packings, we do not observe any of the usual intervening ordered phases. Instead, the system phase separates under strong confinement, or forms a layered re-entrant liquid phase under weaker confinement. It is plausible that this behavior is due to the larger positional freedom in a soft confining potential and to the contribution that the confinement energy makes to the total free energy. The fact that specific structures can be induced or suppressed by simply changing the confinement conditions (e.g. in a dielectrophoretic trap) is important for applications that involve self-assembled structures of colloidal particles.

  9. Hard-sphere fluid with tight-binding electronic interactions -- a glue model treatment

    NASA Astrophysics Data System (ADS)

    Reinaldo-Falagan, M.; Tarazona, P.; Velasco, E.; Chacon, E.; Hernandez, J. P.

    2003-03-01

    We have carried out self-consistent Monte-Carlo simulations for a model monovalent-atom fluid, with hard-sphere interactions and attractions due to the free energy of its valence electrons. This energy is obtained in a tight-binding model with electronic hopping which decreases exponentially with distance. The many-body atomic energies in the disordered environment are fitted with a 'glue' model which, unlike its usual treatment, has its parameters obtained from the model itself. The phase diagram and electronic conductivity derived from this self-consistent treatment of atomic and electronic structures are obtained. Ionic correlations induced by the electronic energy are found to play a crucial role in the thermodynamic and electronic properties of the present model. The electrical conductivity evidences a rapid drop with decreasing fluid density, in the vapor, due to the almost classical percolation of the ionic structures. The resulting phase diagram and the electrical conductivity, at vapor-liquid coexistence, give reasonable agreement with experimental data for fluid cesium, for a chosen decay-parametrization of the electronic hopping.

  10. 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.

  11. On the asymptotic properties of a hard sphere fluid.

    PubMed

    Sanchez, Isaac C; Lee, Jang S

    2009-11-26

    An analysis of the expected divergences in thermodynamic properties at the close-pack density (eta(cp) = pi square root(2)/6) along with the known virial coefficients up to 10th order suggests a weak logarithmic singularity in the excess fluid entropy. The corresponding equation of state (EOS) also possesses a singularity at eta(cp). The new EOS accurately describes extant molecular dynamics data up to the fluid-solid transition (eta approximately 0.494) with differences of less than 1 part per thousand. This accuracy is maintained into the metastable fluid regime up to eta approximately 0.52. In terms of accuracy, the new EOS is no better than Pade approximants, but the new EOS, unlike the Pade approximants, diverges at eta(cp). In addition, a new order parameter is defined that enables all system configurations to be classified as either disordered or ordered. Monte Carlo simulations are used to determine this order parameter in the metastable fluid range. Using this new order parameter, evidence is presented to support a thermodynamic glass transition at eta approximately 0.54. With respect to this transition, congruence is found with the traditional ideas espoused by Gibbs and DiMarzio and Adam and Gibbs. It is the rapid disappearance of disordered (random) configurations with increasing density that drives the glass transition and slows the dynamics. PMID:19921954

  12. 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 < ? < 2?. It enables a unified approach to both wedges and edges.

  13. 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

  14. 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.

  15. 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 ? 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 ??~?1. The structure and dynamics of this chain-chain cluster state is examined for a monodisperse system for two particle sizes. PMID:26323363

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

    NASA Astrophysics Data System (ADS)

    Newman, Hugh D.; Yethiraj, Anand

    2015-09-01

    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 ? 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 ??~?1. The structure and dynamics of this chain-chain cluster state is examined for a monodisperse system for two particle sizes.

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

    E-print Network

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

    2015-09-29

    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.

  18. 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.

  19. 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.

  20. 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

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

    E-print Network

    Hugh D. Newman; Anand Yethiraj

    2015-07-30

    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 $Pe_g$, and dipolar strength $\\Lambda$ 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 $\\Lambda \\sim 1$. The structure and dynamics of this chain-chain cluster state is examined for a monodisperse system for two particle sizes.

  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. Two hard spheres in a pore: Exact Statistical Mechanics for different shaped cavities

    E-print Network

    Ignacio Urrutia

    2010-05-05

    The Partition function of two Hard Spheres in a Hard Wall Pore is studied appealing to a graph representation. The exact evaluation of the canonical partition function, and the one-body distribution function, in three different shaped pores are achieved. The analyzed simple geometries are the cuboidal, cylindrical and ellipsoidal cavities. Results have been compared with two previously studied geometries, the spherical pore and the spherical pore with a hard core. The search of common features in the analytic structure of the partition functions in terms of their length parameters and their volumes, surface area, edges length and curvatures is addressed too. A general framework for the exact thermodynamic analysis of systems with few and many particles in terms of a set of thermodynamic measures is discussed. We found that an exact thermodynamic description is feasible based in the adoption of an adequate set of measures and the search of the free energy dependence on the adopted measure set. A relation similar to the Laplace equation for the fluid-vapor interface is obtained which express the equilibrium between magnitudes that in extended systems are intensive variables. This exact description is applied to study the thermodynamic behavior of the two Hard Spheres in a Hard Wall Pore for the analyzed different geometries. We obtain analytically the external work, the pressure on the wall, the pressure in the homogeneous zone, the wall-fluid surface tension, the line tension and other similar properties.

  4. 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 instrument calibration.

  5. Stability of LS and LS2 crystal structures in binary mixtures of hard and charged spheres.

    PubMed

    Hynninen, A-P; Filion, L; Dijkstra, M

    2009-08-14

    We study by computer simulations the stability of various crystal structures in a binary mixture of large and small spheres interacting either with a hard sphere or a screened-Coulomb potential. In the case of hard-core systems, we consider structures that have atomic prototypes CrB, gammaCuTi, alphaIrV, HgBr2, AuTe2, Ag2Se and the Laves phases (MgCu2, MgNi2, and MgZn2) as well as a structure with space group symmetry 74. By utilizing Monte Carlo simulations to calculate Gibbs free energies, we determine composition versus pressure and constant volume phase diagrams for diameter ratios of q=0.74, 0.76, 0.8, 0.82, 0.84, and 0.85 for the small and large spheres. For diameter ratios 0.76 < or = q < or = 0.84, we find the Laves phases to be stable with respect to the other crystal structures that we considered and the fluid mixture. By extrapolating to the thermodynamic limit, we show that the MgZn2 structure is the most stable one of the Laves structures. We also calculate phase diagrams for equally and oppositely charged spheres for size ratio of 0.73 taking into consideration the Laves phases and CsCl. In the case of equally charged spheres, we find a pocket of stable Laves phases, while in the case of oppositely charged spheres, Laves phases are found to be metastable with respect to the CsCl and fluid phases. PMID:19691406

  6. Random-walk analysis of displacement statistics of particles in concentrated suspensions of hard spheres

    NASA Astrophysics Data System (ADS)

    van Megen, W.

    2006-01-01

    Mean-squared displacements (MSDs) of colloidal fluids of hard spheres are analyzed in terms of a random walk, an analysis which assumes that the process of structural relaxation among the particles can be described in terms of thermally driven memoryless encounters. For the colloidal fluid in thermodynamic equilibrium the magnitude of the stretching of the MSD is able to be reconciled by a bias in the walk. This description fails for the under-cooled colloidal fluid.

  7. Energy and structure of dilute hard- and soft-sphere gases

    SciTech Connect

    Mazzanti, F.; Polls, A.; Fabrocini, A.

    2003-06-01

    The energy and structure of dilute hard- and soft-sphere Bose gases are systematically studied in the framework of several many-body approaches, such as the variational correlated theory, the Bogoliubov model, and the uniform limit approximation, valid in the weak-interaction regime. When possible, the results are compared with the exact diffusion Monte Carlo ones. Jastrow-type correlation provides a good description of the systems, both hard- and soft-spheres, if the hypernetted chain energy functional is freely minimized and the resulting Euler equation is solved. The study of the soft-sphere potentials confirms the appearance of a dependence of the energy on the shape of the potential at gas paremeter values of x{approx}0.001. For quantities other than the energy, such as the radial distribution functions and the momentum distributions, the dependence appears at any value of x. The occurrence of a maximum in the radial distribution function, in the momentum distribution, and in the excitation spectrum is a natural effect of the correlations when x increases. The asymptotic behaviors of the functions characterizing the structure of the systems are also investigated. The uniform limit approach is very easy to implement and provides a good description of the soft-sphere gas. Its reliability improves when the interaction weakens.

  8. 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.

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

    PubMed

    Mirigian, Stephen; Schweizer, Kenneth S

    2014-05-21

    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. PMID:24852549

  10. 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.

  11. Non hard sphere thermodynamic perturbation theory over a wide range of temperatures

    NASA Astrophysics Data System (ADS)

    Zhou, Shiqi

    2011-09-01

    A recently proposed non hard sphere (HS) coupling parameter expansion (CPE) thermodynamic perturbation theory (TPT) is evaluated for its performance over a wide range of temperatures, particularly in tackling a so-called low temperature problem, i.e. the traditional high temperature series expansion TPT performance becomes progressively less satisfactory as the temperature drops, and finally becomes qualitatively incorrect. Accordingly, we have performed Monte Carlo simulations in the canonical ensemble for a honeycomb model potential, and the pressure, excess internal energy, excess Helmholtz free energy, excess chemical potential, and excess enthalpy have been obtained over wide density and temperature ranges for the fluid phase. These new simulation data, together with published simulation data for an HS + square well fluid at very low temperatures, have been used to test the performance of the non HS CPE third-order TPT. A general scheme for assimilating part of the tail term of the potential function considered into a reference system is proposed, which ensures running normality of the non HS perturbation code at subcritical temperatures and smooth transition into a commonly used HS perturbation scheme when the temperatures considered rise infinitely. It is found that the non HS CPE third-order TPT is very satisfactory or even very accurate for these extremely low temperatures for which traditional Zwanzig type TPT is qualitatively incorrect and even an HS CPE third-order TPT also seriously fails in some cases. Among the thermodynamic quantities considered the most difficult one to predict theoretically is the constant volume excess heat capacity, and for this quantity the non HS CPE third-order TPT is also obviously superior to its competitors.

  12. EFFICIENT NONPARAMETRIC DENSITY ESTIMATION ON THE SPHERE WITH APPLICATIONS IN FLUID MECHANICS

    E-print Network

    Egecioglu, Ömer

    EFFICIENT NONPARAMETRIC DENSITY ESTIMATION ON THE SPHERE WITH APPLICATIONS IN FLUID MECHANICS ¨OMER density, nonparametric estimation, fluid mechanics, convergence, kernel method, efficient algorithm AMS, an important application of nonparametric density estimation is in computational fluid mechanics. When the flow

  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. On the definition of an ideal amorphous solid of uniform hard spheres

    NASA Astrophysics Data System (ADS)

    To, Long-Thang; Daley, Daryl J.; Stachurski, Zbigniew H.

    2006-08-01

    Perfection of structure is defined firstly by the definition of imperfections that may occur in that structure, and secondly by the strict requirement of absence of those imperfections. An ideal amorphous solid is a geometrical structure with perfectly random (as distinct from disordered) packing of spheres/atoms. This is achieved by requiring all spheres to be in fixed positions (no rattlers) and the packing to obey certain statistical rules (without exceptions). The random configurations of local clusters are described by the mathematics of self-avoiding random walks, and the distribution of mutual contacts (coordination numbers) is described by combinatorics developed in connection with an earlier work on the structure of liquids. Flaws in the structure are defined. An ideal amorphous solid, based on packing of identical spheres and without any flaws, appears to have packing density close to approximately 0.61. Flaws which form clusters with close packing configurations (fcc and hcp) have the effect of increasing the packing density, whereas other type of flaws, i.e., loose spheres or vacancies will inevitably decrease the packing density. This relationship is revealed by analysis of recently published experimental packings and computer simulations. In that sense, the ideal amorphous solid described here is entirely new and original.

  15. 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.

  16. Thermodynamics and structure of liquid metals from the charged hard-sphere reference fluid

    NASA Astrophysics Data System (ADS)

    Akinlade, O.; Lai, S. K.; Tosi, M. P.

    1990-10-01

    Perturbative variational calculations of thermodynamic and structural properties of liquid metals, based on the use of ab initio and highly reliable nonlocal pseudopotentials for the electron-ion interactions and of the fluid of charged hard spheres as a reference system, have been reported recently for the liquid alkali metals from Na to Cs near the freezing point. We extend in this work the above-mentioned calculations in two directions. Firstly, we discuss the predicted temperature dependence of the liquid structure factor for the same alkali metals over a limited temperature range above the freezing point. Secondly, we examine the usefulness of the approach for metals with relatively strong electron-ion interactions, namely Li and several polyvalent metals (Mg, Cd, Al, In, Tl and Pb). The charged hard-sphere reference system leads to lower values of the Helmholtz free energy and to slightly improved values of the excess entropy for all the liquid metals that we evaluate, even though polyvalent ones overall appear to be relatively close to fluids of neutral hard spheres. For the liquid alkali metals at elevated temperatures, the calculated structure factors are of similar quality as in our previous work, that is, they show a systematic shift in the positions of peaks and valleys to slightly larger wave numbers and peak heights that are somewhat underestimated with increasing temperature. However, for liquid polyvalent metals, our approach yields quite good agreement with experiment for the positions of maxima and minima in the liquid structure factor, while it tends to overemphasize somewhat these structures.

  17. Signatures of glass formation in a fluidized bed of hard spheres

    E-print Network

    Daniel I. Goldman; Harry L. Swinney

    2006-03-10

    We demonstrate that a fluidized bed of hard spheres during defluidization displays properties associated with formation of a glass. The final state is rate dependent, and as this state is approached, the bed exhibits heterogeneity with increasing time and length scales. The formation of a glass results in the loss of fluidization and an arrest of macroscopic particle motion. Microscopic motion persists in this state, but the bed can be jammed by application of a small increase in flow rate. Thus a fluidized bed can serve as a test system for studies of glass formation and jamming.

  18. Playing with Marbles: Structural and Thermodynamic Properties of Hard-Sphere Systems

    E-print Network

    Andrés Santos

    2013-10-21

    These lecture notes present an overview of equilibrium statistical mechanics of classical fluids, with special applications to the structural and thermodynamic properties of systems made of particles interacting via the hard-sphere potential or closely related model potentials. The exact statistical-mechanical properties of one-dimensional systems, the issue of thermodynamic (in)consistency among different routes in the context of several approximate theories, and the construction of analytical or semi-analytical approximations for the structural properties are also addressed.

  19. Playing with Marbles: Structural and Thermodynamic Properties of Hard-Sphere Systems

    E-print Network

    Santos, Andrés

    2013-01-01

    These lecture notes present an overview of equilibrium statistical mechanics of classical fluids, with special applications to the structural and thermodynamic properties of systems made of particles interacting via the hard-sphere potential or closely related model potentials. The exact statistical-mechanical properties of one-dimensional systems, the issue of thermodynamic (in)consistency among different routes in the context of several approximate theories, and the construction of analytical or semi-analytical approximations for the structural properties are also addressed.

  20. Isotropic-nematic phase equilibria of hard-sphere chain fluids-Pure components and binary mixtures.

    PubMed

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

    2015-02-14

    The isotropic-nematic phase equilibria of linear hard-sphere chains and binary mixtures of them are obtained from Monte Carlo simulations. In addition, the infinite dilution solubility of hard spheres in the coexisting isotropic and nematic phases is determined. Phase equilibria calculations are performed in an expanded formulation of the Gibbs ensemble. This method allows us to carry out an extensive simulation study on the phase equilibria of pure linear chains with a length of 7 to 20 beads (7-mer to 20-mer), and binary mixtures of an 8-mer with a 14-, a 16-, and a 19-mer. The effect of molecular flexibility on the isotropic-nematic phase equilibria is assessed on the 8-mer+19-mer mixture by allowing one and two fully flexible beads at the end of the longest molecule. Results for binary mixtures are compared with the theoretical predictions of van Westen et al. [J. Chem. Phys. 140, 034504 (2014)]. Excellent agreement between theory and simulations is observed. The infinite dilution solubility of hard spheres in the hard-sphere fluids is obtained by the Widom test-particle insertion method. As in our previous work, on pure linear hard-sphere chains [B. Oyarzún, T. van Westen, and T. J. H. Vlugt, J. Chem. Phys. 138, 204905 (2013)], a linear relationship between relative infinite dilution solubility (relative to that of hard spheres in a hard-sphere fluid) and packing fraction is found. It is observed that binary mixtures greatly increase the solubility difference between coexisting isotropic and nematic phases compared to pure components. PMID:25681939

  1. Shearer's point process and the hard-sphere model in one dimension

    E-print Network

    Christoph Hofer-Temmel

    2015-04-10

    We revisit the smallest non-physical singularity of the hard-sphere model in one dimension, also known as Tonks gas. We give an explicit expression of the free energy and reduced correlations at negative real fugacity and elaborate the nature of the singularity: the free energy is right-continuous, but its derivative diverges. We derive these results in several novel ways: First, by scaling up the discrete solution. Second, by an inductive argument on the partition function \\`a la Dobrushin. Third, by a perfect cluster expansion counting the Penrose trees in the Mayer expansion perfectly. Fourth, by an explicit construction of Shearer's point process, the unique R-dependent point process with an R-hard-core. The last connection yields explicit and optimal lower bounds on the avoidance function of R-dependent point processes on the real line.

  2. Minimal energy packings and collapse of sticky tangent hard-sphere polymers

    E-print Network

    Robert S. Hoy; Corey S. O'Hern

    2010-08-11

    We enumerate all minimal energy packings (MEPs) for small single linear and ring polymers composed of spherical monomers with contact attractions and hard-core repulsions, and compare them to corresponding results for monomer packings. We define and identify ``dividing surfaces" in polymer packings, which reduce the number of arrangements that satisfy hard-sphere and covalent bond constraints. Compared to monomer MEPs, polymer MEPs favor intermediate structural symmetry over high and low symmetries. We also examine the packing-preparation dependence for longer single chains using molecular dynamics simulations. For slow temperature quenches, chains form crystallites with close-packed cores. As quench rate increases, the core size decreases and the exterior becomes more disordered. By examining the contact number, we connect suppression of crystallization to the onset of isostaticity in disordered packings. These studies represent a significant step forward in our ability to predict how the structural and mechanical properties of compact polymers depend on collapse dynamics.

  3. 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

  4. Effects of Shear-Induced Crystallization on the Rheology and Ageing of Hard Sphere Glasses

    E-print Network

    N. Koumakis; A. B. Schofield; G. Petekidis

    2008-04-08

    The rheological properties of highly concentrated suspensions of hard-sphere particles are studied with particular reference to the rheological response of shear induced crystals. Using practically monodisperse hard spheres, we prepare shear induced crystals under oscillatory shear and examine their linear and non-linear mechanical response in comparison with their glassy counterparts at the same volume fraction. It is evident, that shear-induced crystallization causes a significant drop in the elastic and viscous moduli due to structural rearrangements that ease flow. For the same reason the critical (peak of G'') and crossover (overlap of G' and G'') strain are smaller in the crystal compared to the glass at the same volume fraction. When, however the distance from the maximum packing in each state is taken into account the elastic modulus of the crystal is found to be larger than the glass at the same free volume suggesting a strengthened material due to long range order. Finally, shear induced crystals counter-intuitively exhibit similar rheological ageing to the glass (with a logarithmic increase of G'), indicating that the shear induced structure is not at thermodynamic equilibrium.

  5. 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.

  6. Combined temperature and density series for fluid-phase properties. I. Square-well spheres

    NASA Astrophysics Data System (ADS)

    Elliott, J. Richard; Schultz, Andrew J.; Kofke, David A.

    2015-09-01

    Cluster integrals are evaluated for the coefficients of the combined temperature- and density-expansion of pressure: Z = 1 + B2(?) ? + B3(?) ?2 + B4(?) ?3 + ⋯, where Z is the compressibility factor, ? is the packing fraction, and the Bi(?) coefficients are expanded as a power series in reciprocal temperature, ?, about ? = 0. The methodology is demonstrated for square-well spheres with ? = [1.2-2.0], where ? is the well diameter relative to the hard core. For this model, the Bi coefficients can be expressed in closed form as a function of ?, and we develop appropriate expressions for i = 2-6; these expressions facilitate derivation of the coefficients of the ? series. Expanding the Bi coefficients in ? provides a correspondence between the power series in density (typically called the virial series) and the power series in ? (typically called thermodynamic perturbation theory, TPT). The coefficients of the ? series result in expressions for the Helmholtz energy that can be compared to recent computations of TPT coefficients to fourth order in ?. These comparisons show good agreement at first order in ?, suggesting that the virial series converges for this term. Discrepancies for higher-order terms suggest that convergence of the density series depends on the order in ?. With selection of an appropriate approximant, the treatment of Helmholtz energy that is second order in ? appears to be stable and convergent at least to the critical density, but higher-order coefficients are needed to determine how far this behavior extends into the liquid.

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

    PubMed

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

    2015-10-30

    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. PMID:26565475

  8. 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.

  9. On the calculation of the thermodynamics of liquid metals using the charged-hard-sphere reference system

    NASA Astrophysics Data System (ADS)

    Iwamatsu, M.

    1989-09-01

    We have two-parameter variational calculations of the free energy of simple liquid metals using the charged-hard-sphere (CHS) reference system and the Ashcroft local pseudopotential. The results are compared with those obtained using the hard-sphere (HS) and the one-component-plasma (OCP) reference system. It is shown that the CHS reference gives the lowest bound of the free energy among the three references for the polyvalent metals, while the OCP reference gives the lowest energy for the alkali metals.

  10. Effective Interactions in a Quenched-Annealed Hard-Sphere Mixture Confined in a Narrow Slit-like Pore.

    PubMed

    Sokolowski; Rzysko; Pizio

    1999-10-01

    We consider a slit-like pore filled with a disordered hard-sphere matrix. The diameter of matrix species is chosen almost equal to the pore width. Another hard-sphere fluid species, of smaller diameter, enters, at a given chemical potential, into this confined quenched microporous medium. The model is similar to the experimental setup; see G. Cruz de Leon et al. Phys. Rev. Lett. 81, 1122 (1998). The model is solved by using the inhomogeneous replica Ornstein-Zernike equations with Percus-Yevick approximation. We discuss the effective interactions between species in a confined medium on the chemical potential and matrix microporosity. Copyright 1999 Academic Press. PMID:10489311

  11. Density Profiles of a Hard Gaussian Overlap Fluid Between Hard Walls

    NASA Astrophysics Data System (ADS)

    Moradi, M.; Avazpour, A.

    The density profiles of a hard Gaussian overlap (HGO) fluid confined in between hard walls and in contact with a hard wall are studied using the density functional theory. The hyper-netted chain (HNC) approximation is used to find the coupled integral equations for the density profiles. The restricted orientation model (ROM) is used. The required homogeneous direct correlation function (DCF) is obtained by solving Ornstein-Zernike (OZ) integral equation numerically, using the Precus-Yevick (PY) approximation and the procedure mentioned by Letz and Latz [Phys. Rev. E60, 5865 (1999)]. We also obtained the DCF of hard ellipsoidal (HE) fluid by using the modified closest approach introduced by Rickayzen [Mol. Phys. 68, 903 (1989)]. For both HGO and HE, we calculate the density profiles of molecules parallel and perpendicular to the walls and we compare the results. The calculations are performed for various values of packing fractions of the fluid and various molecular elongations. For moderate elongations, k?3, the results for HGO and HE are almost the same, especially for the density profile of the molecules parallel to the walls but for k=5 there are some discrepancies between the results, in particular for the density profiles of the molecules perpendicular to the walls.

  12. Direct Measurement of the Free Energy of Aging Hard-Sphere Colloidal Glasses

    E-print Network

    Rojman Zargar; Bernard Nienhuis; Peter Schall; Daniel Bonn

    2013-03-17

    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, similarly to the Gutenberg-Richter law in seismology.

  13. 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

  14. Monte Carlo simulation of defects in hard-sphere crystal grown on a square pattern

    E-print Network

    Atsushi Mori; Yoshihisa Suzuki; Shigeki Matsuo

    2012-01-21

    Monte Carlo simulations of hard-sphere (HS) crystal grown on a square patterned wall under gravity have been performed. While previous simulations were performed with step-wise controlled gravity, in the present simulations constant gravity has been applied from the first. In the case in which a flat wall is used as the bottom wall, if a large gravity is suddenly applied, the system does polycrystallize. On the other hand, in the present simulations, despite the sudden application of gravity, the system has not polycrystallize. Crystalline nucleation on the square pattern and successive crystal growth upward are suggested to overcome the homogeneous nucleation inside and result in. Defect disappearance, which has been essentially the same as that for the case with step-wise controlled gravity, has also observed for the present case. The characteristic of the square patterned bottom wall simulation with a large horizontal system size has been existence of triangular defects suggesting stacking tetrahedra.

  15. 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

  16. Generalized mean spherical approximations of the dense hard-sphere fluid

    NASA Astrophysics Data System (ADS)

    Carraro, Carlo; Ciccariello, Salvino

    1987-04-01

    After having discussed how integral equations of the Percus-Yevick type can be generated stemming from known approximations of the direct correlation function (DCF), we show that in the case of the hard-sphere (HS) fluid they can be recast into the generalized mean spherical approximation form by using truncated Dirichlet's series. The analysis is numerically carried through by using present knowledge of second- and third-order approximations of the DCF. The virial and compressibility pressures tend to close on the Carnahan-Starling values, but improvement in the radial distribution functions is noteworthy only in the contact region, while the Waisman thermodynamical consistent approximation appears to be the most accurate one. The mechanical stability of the system is analyzed: For all the considered approximations the HS system appears mechanically stable.

  17. Gravity-Induced Aging in Glasses of Colloidal Hard Spheres Nikoleta B. Simeonova and Willem K. Kegel*

    E-print Network

    Weeks, Eric R.

    Gravity-Induced Aging in Glasses of Colloidal Hard Spheres Nikoleta B. Simeonova and Willem K) The influence of gravity on the long-time behavior of the mean squared displacement in glasses of polydisperse present, for the first time, a significant influence of gravity on the mean squared displacements

  18. Structural aging of crystals of hard-sphere colloids V. C. Martelozzo, A. B. Schofield, W. C. K. Poon, and P. N. Pusey

    E-print Network

    Schofield, Andrew

    of a fraction of pure face-centered cubic fcc crystals growing at the expense of the randomly stackedStructural aging of crystals of hard-sphere colloids V. C. Martelozzo, A. B. Schofield, W. C. K random hexagonal close-packed rhcp crystals formed in suspensions of hard-sphere colloids near

  19. Structure and dynamics of the interface between a binary hard-sphere crystal of NaCl type and its coexisting binary fluid

    E-print Network

    Sibug-Aga, Rachel; Laird, Brian Bostian

    2002-10-15

    Molecular-dynamics simulations are performed to study the [100] and [111] orientations of the crystal-melt interface between an ordered two-component hard sphere with an NaCl structure and its coexisting binary hard-sphere fluid. The diameter ratio...

  20. Coordinated HArd Sphere Model (CHASM): A Simplified Model for Silicate and Oxide Liquids at Mantle Conditions

    NASA Astrophysics Data System (ADS)

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

    2013-12-01

    Recent first-principles theoretical calculations (Stixrude 2009) and experimental shock-wave investigations (Mosenfelder 2009) indicate that melting perovskite requires significantly less energy than previously thought, supporting the idea of a deep-mantle magma ocean early in Earth's history. The modern-day solid Earth is thus likely the result of crystallization from an early predominantly molten state, a process that is primarily controlled by the poorly understood behavior of silicate melts at extreme pressures and temperatures. Probing liquid thermodynamics at mantle conditions is difficult for both theory and experiment, and further challenges are posed by the large relevant compositional space including at least MgO, SiO2, and FeO. First-principles molecular dynamics has been used with great success to determine the high P-T properties of a small set of fixed composition silicate-oxide liquids including MgO (Karki 2006), SiO2 (Karki 2007), Mg2SiO4 (de Koker 2008), MgSiO3 (Stixrude 2005), and Fe2SiO4 (Ramo 2012). While extremely powerful, this approach has limitations including high computational cost, lower bounds on temperature due to relaxation constraints, as well as restrictions to length scales and time scales that are many orders of magnitude smaller than those relevant to the Earth or experimental methods. As a compliment to accurate first-principles calculations, we have developed the Coordinated HArd Sphere Model (CHASM). We extend the standard hard sphere mixture model, recently applied to silicate liquids by Jing (2011), by accounting for the range of oxygen coordination states available to liquid cations. Utilizing approximate analytic expressions for the hard sphere model, the method can predict complex liquid structure and thermodynamics while remaining computationally efficient. Requiring only minutes on standard desktop computers rather than months on supercomputers, the CHASM approach is well-suited to providing an approximate thermodynamic map of the wide compositional space relevant to early Earth evolution. As a first step on this path, we apply the CHASM formalism to the MgO system. We first demonstrate that the model parameters can be obtained by training on equation of state data for a variety of crystal polymorphs, which discretely sample the continuous range of coordination states available to the liquid; training only on solid data, CHASM thus provides a fully predictive model for oxide liquids. Using the best-fit parameter values, the coordination evolution and equation of state of MgO liquid is determined by free-energy minimization over a wide P-T range. These results are evaluated by favorable comparison with predictions from published first-principles molecular dynamics calculations, indicating that CHASM is accurately capturing the dominant physical mechanism controlling the behavior of high pressure oxide liquids. By combining the CHASM description of MgO liquid with a thermodynamic model for solid MgO periclase, we also compare the MgO melting curve with both first principles computations and shock wave measurements. Future development of the CHASM model will incorporate SiO2, FeO, and Al2O3, providing a simple physical framework that enables both interpretation of experiments and prediction of behavior currently outside our technical or computational capabilities.

  1. Estimate of snow density knowing grain and share hardness

    NASA Astrophysics Data System (ADS)

    Valt, Mauro; Cianfarra, Paola; Cagnati, Anselmo; Chiambretti, Igor; Moro, Daniele

    2010-05-01

    Alpine avalanche warning services produces, weekly, snow profiles. Usually such profiles are made in horizontal snow fields, homogenously distributed by altitude and climatic micro-areas. Such profile allows grain shape, dimension and hardness (hand test) identification. Horizontal coring of each layer allows snow density identification. Such data allows the avalanche hazard evaluation and an estimation of the Snow Water Equivalent (SWE). Nevertheless the measurement of snow density, by coring, of very thin layers (less than 5 cm of thickness) is very difficult and are usually not measured by snow technicians. To bypass such problems a statistical analysis was performed to assign density values also to layers which cannot be measured. This system allows, knowing each layer thickness and its density, to correctly estimate SWE. This paper presents typical snow density values for snow hardness values and grain types for the Eastern Italian Alps. The study is based onto 2500 snow profiles with 17000 sampled snow layers from the Dolomites and Venetian Prealps (Eastern Alps). The table of typical snow density values for each grain type is used by YETI Software which elaborate snow profiles and automatically evaluate SWE. This method allows a better use of Avalanche Warning Services datasets for SWE estimation and local evaluation of SWE yearly trends for each snow field.

  2. Wave packet autocorrelation functions for quantum hard-disk and hard-sphere billiards in the high-energy, diffraction regime

    E-print Network

    Arseni Goussev; J. R. Dorfman

    2006-07-18

    We consider the time evolution of a wave packet representing a quantum particle moving in a geometrically open billiard that consists of a number of fixed hard-disk or hard-sphere scatterers. Using the technique of multiple collision expansions we provide a first-principle analytical calculation of the time-dependent autocorrelation function for the wave packet in the high-energy diffraction regime, in which the particle's de Broglie wave length, while being small compared to the size of the scatterers, is large enough to prevent the formation of geometric shadow over distances of the order of the particle's free flight path. The hard-disk or hard-sphere scattering system must be sufficiently dilute in order for this high-energy diffraction regime to be achievable. Apart from the overall exponential decay, the autocorrelation function exhibits a generally complicated sequence of relatively strong peaks corresponding to partial revivals of the wave packet. Both the exponential decay (or escape) rate and the revival peak structure are predominantly determined by the underlying classical dynamics. A relation between the escape rate, and the Lyapunov exponents and Kolmogorov-Sinai entropy of the counterpart classical system, previously known for hard-disk billiards, is strengthened by generalization to three spatial dimensions. The results of the quantum mechanical calculation of the time-dependent autocorrelation function agree with predictions of the semiclassical periodic orbit theory.

  3. 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 ?, 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 ˜?3, 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 ?2, 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.

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

    PubMed

    Liu, Yi; B?awzdziewicz, 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 ?? 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

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

    E-print Network

    Michael Schindler; A. C. Maggs

    2015-09-28

    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-takeout', 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 experimentalist for choosing the right one of the three methods, in order to keep the outcome of experimental data analysis meaningful.

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

    PubMed

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

    2010-06-01

    Shock waves and shock-induced phase transitions are theoretically and numerically studied on the basis of the system of Euler equations with caloric and thermal equations of state for a system of hard spheres with internal degrees of freedom. First, by choosing the unperturbed state (the state before the shock wave) in the liquid phase, the Rankine-Hugoniot conditions are studied and their solutions are classified on the basis of the phase of the perturbed state (the state after the shock wave), being a shock-induced phase transition possible under certain conditions. With this regard, the important role of the internal degrees of freedom is shown explicitly. Second, the admissibility (stability) of shock waves is studied by means of the results obtained by Liu in the theory of hyperbolic systems. It is shown that another type of instability of a shock wave can exist even though the perturbed state is thermodynamically stable. Numerical calculations have been performed in order to confirm the theoretical results in the case of admissible shocks and to obtain the actual evolution of the wave profiles in the case of inadmissible shocks (shock splitting phenomena). PMID:20866522

  7. Gelation and state diagram for a model nanoparticle system with adhesive hard sphere interactions

    NASA Astrophysics Data System (ADS)

    Wagner, Norman; Aaron, Eberle

    2012-02-01

    We provide the first comprehensive state diagram of thermoreversible gelation in a model nanoparticle system from dilute concentrations to the attractive driven glass. We show the temperature dependence of the interparticle potential is related to a surface molecular phase transition of the brush layer using neutron reflectivity (NR) and small-angle neutron scattering (SANS) [1]. We establish the temperature dependence of the interparticle potential using SANS, dynamic light scattering (DLS), and rheology. The potential parameters extracted from SANS suggest that, for this system, gelation is an extension of the Mode Coupling Theory (MCT) attractive driven glass line (ADG) to lower volume fractions and follows the percolation transition. Below the critical concentration, gelation proceeds without competition for phase separation [2]. These results are used to develop a complete state diagram for the sticky hard sphere reference system. [4pt] [1] A.P.R. Eberle, N.J. Wagner, B. Akgun, S.K. Satija, Langmuir 26 3003 (2010).[0pt] [2] A.P.R. Eberle, N.J. Wagner, R. Castaneda-Priego, Phys. Rev. Let. 105704 (2011).

  8. Dynamical arrest in adhesive hard-sphere dispersions driven by rigidity percolation

    NASA Astrophysics Data System (ADS)

    Valadez-Pérez, Néstor E.; Liu, Yun; Eberle, Aaron P. R.; Wagner, Norman J.; Castañeda-Priego, Ramón

    2013-12-01

    One major goal in condensed matter is identifying the physical mechanisms that lead to arrested states of matter, especially gels and glasses. The complex nature and microscopic details of each particular system are relevant. However, from both scientific and technological viewpoints, a general, consistent and unified definition is of paramount importance. Through Monte Carlo computer simulations of states identified in experiments, we demonstrate that dynamical arrest in adhesive hard-sphere dispersions is the result of rigidity percolation with coordination number equal to 2.4. This corresponds to an established mechanism leading to mechanical transitions in network-forming materials [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.54.2107 54, 2107 (1985)]. Our findings connect the concept of critical gel formation in colloidal suspensions with short-range attractive interactions to the universal concept of rigidity percolation. Furthermore, the bond, angular, and local distributions along the gelation line are explicitly studied in order to determine the topology of the structure at the critical gel state.

  9. 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

  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. Electrical conductivity of a tight-binding hard-sphere model for hot fluid metals

    NASA Astrophysics Data System (ADS)

    Tarazona, P.; Chacón, E.; Vergés, J. A.; Reinaldo-Falagán, M.; Velasco, E.; Hernandez, J. P.

    2005-01-01

    Hot fluid metals are represented using a tight-binding hard-sphere model. Various treatments of the electrical conductivity of those disordered systems are presented and results are compared for equilibrium ionic configurations near the liquid-vapor phase coexistence. The configurations are obtained from self-consistent Monte Carlo simulations, with the cohesive energy being due to exact calculations of the valence electron delocalization. The disorder in the electronic hopping elements arises from that of the ionic positions, since the hopping is assumed to decay exponentially with distance. Calculated values of the electrical conductivity are found to span several orders of magnitude along the liquid-vapor coexistence curve, from typical metallic values in the low-temperature dense liquid metal, to a percolation-limited transition, to an insulator on the vapor branch. We compare the results based on the Kubo-Greenwood treatment, formulated appropriately for the model, with those of a “mesoscopic” approach based on the Green’s function method for the quantum-coherent transport between two voltages leads, and examine results from two versions of the randomized phase model, which assumes a rapid decay of the quantum coherence. The various conductivity results are also compared with the experimental data for cesium.

  12. 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 values, however, the many-body correlation plays significant roles in the ?-sheet formation and argument of relative stabilities of very similar structures of a protein. These results are argued in detail with respect to the four physically insightful constituents and the two factors mentioned above. The relevance to the absence or presence of hydrogen-bonding properties in the solvent is also discussed in detail.

  13. 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 values, however, the many-body correlation plays significant roles in the ?-sheet formation and argument of relative stabilities of very similar structures of a protein. These results are argued in detail with respect to the four physically insightful constituents and the two factors mentioned above. The relevance to the absence or presence of hydrogen-bonding properties in the solvent is also discussed in detail.

  14. Hardness and Density Distributions of Pharmaceutical Tablets Measured by Terahertz Pulsed Imaging

    E-print Network

    Elliott, James

    Hardness and Density Distributions of Pharmaceutical Tablets Measured by Terahertz Pulsed Imaging) as a novel tool to quantify the hard- ness and surface density distribution of pharmaceutical tablets. Good these relate to tablet hardness. Numerical simulations of tablet surface density distribu- tion by finite

  15. Many-fluid Onsager density functional theories for orientational ordering in mixtures of anisotropic hard-body fluids.

    PubMed

    Malijevský, Alexandr; Jackson, George; Varga, Szabolcs

    2008-10-14

    The extension of Onsager's second-virial theory [L. Onsager, Ann. N.Y. Acad. Sci. 51, 627 (1949)] for the orientational ordering of hard rods to mixtures of nonspherical hard bodies with finite length-to-breadth ratios is examined using the decoupling approximations of Parsons [Phys. Rev. A 19, 1225 (1979)] and Lee [J. Chem. Phys. 86, 6567 (1987); 89, 7036 (1988)]. Invariably the extension of the Parsons-Lee (PL) theory to mixtures has in the past involved a van der Waals one-fluid treatment in which the properties of the mixture are approximated by those of a reference one-component hard-sphere fluid with an effective diameter which depends on the composition of the mixture and the molecular parameters of the various components; commonly this is achieved by equating the molecular volumes of the effective hard sphere and of the components in the mixture and is referred to as the PL theory of mixtures. It is well known that a one-fluid treatment is not the most appropriate for the description of the thermodynamic properties of isotropic fluids, and inadequacies are often rectified with a many-fluid (MF) theory. Here, we examine MF theories which are developed from the virial theorem and the virial expansion of the Helmholtz free energy of anisotropic fluid mixtures. The use of the decoupling approximation of the pair distribution function at the level of a multicomponent hard-sphere reference system leads to our MF Parsons (MFP) theory of anisotropic mixtures. Alternatively the mapping of the virial coefficients of the hard-body mixtures onto those of equivalent hard-sphere systems leads to our MF Lee (MFL) theory. The description of the isotropic-nematic phase behavior of binary mixtures of hard Gaussian overlap particles is used to assess the adequacy of the four different theories, namely, the original second-virial theory of Onsager, the usual PL one-fluid theory, and the MF theories based on the Lee (MFL) and Parsons (MFP) approaches. A comparison with the simulation data for the mixtures studied by Zhou et al. [J. Chem. Phys. 120, 1832 (2004)] suggests that the Parsons MF description (MFP) provides the most accurate representation of the properties of the isotropic-nematic ordering transition and density (pressure) dependence of the order parameters. PMID:19045155

  16. A Family of Tunable Spherically-Symmetric Potentials that Span the Range from Hard Spheres to Water-like Behavior

    E-print Network

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

    2006-01-24

    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 $0\\leq\\lambdawater, the regions where these anomalies occur are nested domes in the ($T, \\rho$) or ($T, P$) planes, with the thermodynamic anomaly dome contained entirely within the dynamic anomaly dome. We calculate translational and orientational order parameters ($t$ and $Q_6$), and project equilibrium state points onto the ($t, Q_6$) plane, or order map. The order map evolves from water-like 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 ($\\lambda=1$) and water-like ($\\lambda\\sim4/7$) 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 $0\\leq\\lambda\\leq1$, water-like structural anomalies (i.e., decrease in both $t$ and $Q_6$ upon compression and strictly correlated $t$ and $Q_6$ in the anomalous region) occur only around $\\lambda=4/7$. Water-like anomalies in structure, dynamics and thermodynamics arise solely due to the existence of two length scales, orientation-dependent interactions being absent by design.

  17. Wave functions of the super-Tonks-Girardeau gas and the trapped one-dimensional hard-sphere Bose gas

    SciTech Connect

    Girardeau, M. D.; Astrakharchik, G. E.

    2010-06-15

    Recent theoretical and experimental results demonstrate a close connection between the super-Tonks-Girardeau (STG) gas and a one-dimensional (1D) hard-sphere Bose (HSB) gas with hard-sphere diameter nearly equal to the 1D scattering length a{sub 1D} of the STG gas, a highly excited gaslike state with nodes only at interparticle separations |x{sub jl}|=x{sub node{approx_equal}}a{sub 1D}. It is shown herein that when the coupling constant g{sub B} in the Lieb-Liniger interaction g{sub B{delta}}(x{sub jl}) is negative and |x{sub 12}|{>=}x{sub node}, the STG and HSB wave functions for N=2 particles are not merely similar, but identical; the only difference between the STG and HSB wave functions is that the STG wave function allows a small penetration into the region |x{sub 12}|hard-sphere diameter a{sub hs}=x{sub node}, the HSB wave function vanishes when |x{sub 12}|2. The STG and HSB wave functions for N=2 are given exactly in terms of a parabolic cylinder function, and for N{>=}2, x{sub node} is given accurately by a simple parabola. The metastability of the STG phase generated by a sudden change of the coupling constant from large positive to large negative values is explained in terms of the very small overlap between the ground state of the Tonks-Girardeau gas and collapsed cluster states.

  18. 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.

  19. 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.

  20. Phase equilibria in strong polar fluids using a perturbed hard-sphere-chain equation of state combined with three different association models

    SciTech Connect

    Schaefer, B.; Lambert, S.M.; Song, Y.; Prausnitz, J.M.

    1994-10-01

    Goal of this work is the extension of a Perturbed-Hard-Sphere-Chain equation of state (PHSC EOS) to systems containing strong polar components. Three different types of association models (ten Brinke/Karasz, SAFI, modified Veytsman) were used to calculate the contribution of specific interactions like hydrogen bonding to thermodynamic quantities. Pure component parameters obtained from regression of temperature dependent density and vapor pressure data allow the prediction of VLE and LLE data. The results of simple fluids and polymer solutions were compared with experimental data. The SAFT and the modified Veytsman extension give similar results for pure fluids and mixtures with components of similar segment size. Differences increase with increasing difference of segment size.

  1. Emerging quasi-0D states at vanishing total entropy of the 1D hard sphere system: a coarse-grained similarity to the car parking problem

    E-print Network

    Hiroshi Frusawa

    2014-04-24

    A coarse-grained system of one-dimensional (1D) hard spheres (HSs) is created using the Delaunay tessellation, which enables one to define the quasi-0D state. It is found from comparing the quasi-0D and 1D free energy densities that a frozen state due to the emergence of quasi-0D HSs is thermodynamically more favorable than fluidity with a large-scale heterogeneity above crossover volume fraction of $\\phi_c=e/(1+e)=0.731\\cdots$, at which the total entropy of the 1D state vanishes. The Delaunay-based lattice mapping further provides a similarity between the dense HS system above $\\phi_c$ and the jamming limit in the car parking problem.

  2. Many-body Bose systems and the hard-sphere model: dynamic properties from the weak to the strong interaction regime

    NASA Astrophysics Data System (ADS)

    Rota, R.; Tramonto, F.; Galli, D. E.; Giorgini, S.

    2014-08-01

    We obtain ab-initio estimations of the dynamic structure factor, S(q,?), of Bose gases at zero temperature. More precisely, we use the Genetic Inversion via Falsification of Theories (GIFT) algorithm to perform analytic continuations of imaginary time correlation functions computed via an exact Path Integral projector method. Using the hard-sphere potential to model the two-body interactions between the atoms, we compute S(q,?) changing the gas parameter from the dilute regime (na3 = 10-4) up to the density corresponding to superfluid 4He at equilibrium (na3 = 0.2138). With increasing density, we observe the emergence of a broad multiphonon contribution accompanying the quasiparticle peak and a crossover of the dispersion of elementary excitations from a Bogoliubov-like spectrum to a phonon-maxon- roton curve. Apart from the low wave vector region, for na3 = 0.2138 the energy-momentum dispersion relation and the static density response function, ?(q), turns out to be in good agreement with the superfluid 4He experimental data at equilibrium density.

  3. Density Functional Approach to Regiochemistry, Activation Energy, and Hardness Profile in 1,3-Dipolar Cycloadditions

    E-print Network

    Nguyen, Minh Tho

    Density Functional Approach to Regiochemistry, Activation Energy, and Hardness Profile in 1 that the transition state with higher hardness is associated with lower activation energy. The hardness profile has proposition of his work is that the activation energy of a chemical reaction depends primarily

  4. Uniform electron gases. III. Low-density gases on three-dimensional spheres

    NASA Astrophysics Data System (ADS)

    Agboola, Davids; Knol, Anneke L.; Gill, Peter M. W.; Loos, Pierre-François

    2015-08-01

    By combining variational Monte Carlo (VMC) and complete-basis-set limit Hartree-Fock (HF) calculations, we have obtained near-exact correlation energies for low-density same-spin electrons on a three-dimensional sphere (3-sphere), i.e., the surface of a four-dimensional ball. In the VMC calculations, we compare the efficacies of two types of one-electron basis functions for these strongly correlated systems and analyze the energy convergence with respect to the quality of the Jastrow factor. The HF calculations employ spherical Gaussian functions (SGFs) which are the curved-space analogs of Cartesian Gaussian functions. At low densities, the electrons become relatively localized into Wigner crystals, and the natural SGF centers are found by solving the Thomson problem (i.e., the minimum-energy arrangement of n point charges) on the 3-sphere for various values of n. We have found 11 special values of n whose Thomson sites are equivalent. Three of these are the vertices of four-dimensional Platonic solids — the hyper-tetrahedron (n = 5), the hyper-octahedron (n = 8), and the 24-cell (n = 24) — and a fourth is a highly symmetric structure (n = 13) which has not previously been reported. By calculating the harmonic frequencies of the electrons around their equilibrium positions, we also find the first-order vibrational corrections to the Thomson energy.

  5. Uniform electron gases: III. Low-density gases on three-dimensional spheres

    E-print Network

    Agboola, Davids; Gill, Peter M W; Loos, Pierre-François

    2015-01-01

    By combining variational Monte Carlo (VMC) and complete-basis-set limit Hartree-Fock (HF) calculations, we have obtained near-exact correlation energies for low-density same-spin electrons on a three-dimensional sphere (3-sphere), i.e.~the surface of a four-dimensional ball. In the VMC calculations, we compare the efficacies of two types of one-electron basis functions for these strongly correlated systems, and analyze the energy convergence with respect to the quality of the Jastrow factor. The HF calculations employ spherical Gaussian functions (SGFs) which are the curved-space analogs of cartesian Gaussian functions. At low densities, the electrons become relatively localized into Wigner crystals, and the natural SGF centers are found by solving the Thomson problem (i.e. the minimum-energy arrangement of $n$ point charges) on the 3-sphere for various values of $n$. We have found 11 special values of $n$ whose Thomson sites are equivalent. Three of these are the vertices of four-dimensional Platonic solids ...

  6. Uniform electron gases. III. Low-density gases on three-dimensional spheres.

    PubMed

    Agboola, Davids; Knol, Anneke L; Gill, Peter M W; Loos, Pierre-François

    2015-08-28

    By combining variational Monte Carlo (VMC) and complete-basis-set limit Hartree-Fock (HF) calculations, we have obtained near-exact correlation energies for low-density same-spin electrons on a three-dimensional sphere (3-sphere), i.e., the surface of a four-dimensional ball. In the VMC calculations, we compare the efficacies of two types of one-electron basis functions for these strongly correlated systems and analyze the energy convergence with respect to the quality of the Jastrow factor. The HF calculations employ spherical Gaussian functions (SGFs) which are the curved-space analogs of Cartesian Gaussian functions. At low densities, the electrons become relatively localized into Wigner crystals, and the natural SGF centers are found by solving the Thomson problem (i.e., the minimum-energy arrangement of n point charges) on the 3-sphere for various values of n. We have found 11 special values of n whose Thomson sites are equivalent. Three of these are the vertices of four-dimensional Platonic solids - the hyper-tetrahedron (n = 5), the hyper-octahedron (n = 8), and the 24-cell (n = 24) - and a fourth is a highly symmetric structure (n = 13) which has not previously been reported. By calculating the harmonic frequencies of the electrons around their equilibrium positions, we also find the first-order vibrational corrections to the Thomson energy. PMID:26328825

  7. Nanopatterned ferroelectrics for ultrahigh density rad-hard nonvolatile memories.

    SciTech Connect

    Brennecka, Geoffrey L.; Stevens, Jeffrey; Scrymgeour, David; Gin, Aaron V.; Tuttle, Bruce Andrew

    2010-09-01

    Radiation hard nonvolatile random access memory (NVRAM) is a crucial component for DOE and DOD surveillance and defense applications. NVRAMs based upon ferroelectric materials (also known as FERAMs) are proven to work in radiation-rich environments and inherently require less power than many other NVRAM technologies. However, fabrication and integration challenges have led to state-of-the-art FERAMs still being fabricated using a 130nm process while competing phase-change memory (PRAM) has been demonstrated with a 20nm process. Use of block copolymer lithography is a promising approach to patterning at the sub-32nm scale, but is currently limited to self-assembly directly on Si or SiO{sub 2} layers. Successful integration of ferroelectrics with discrete and addressable features of {approx}15-20nm would represent a 100-fold improvement in areal memory density and would enable more highly integrated electronic devices required for systems advances. Towards this end, we have developed a technique that allows us to carry out block copolymer self-assembly directly on a huge variety of different materials and have investigated the fabrication, integration, and characterization of electroceramic materials - primarily focused on solution-derived ferroelectrics - with discrete features of {approx}20nm and below. Significant challenges remain before such techniques will be capable of fabricating fully integrated NVRAM devices, but the tools developed for this effort are already finding broader use. This report introduces the nanopatterned NVRAM device concept as a mechanism for motivating the subsequent studies, but the bulk of the document will focus on the platform and technology development.

  8. Segregation in hard-sphere mixtures under gravity. An extension of Edwards approach with two thermodynamical parameters

    NASA Astrophysics Data System (ADS)

    Nicodemi, M.; Fierro, A.; Coniglio, A.

    2002-12-01

    We study segregation patterns in a hard-sphere binary model under gravity subject to sequences of taps. We discuss the appearance of the "Brazil nut" effect (where large particles move up) and the "reverse Brazil nut" effects in the stationary states reached by "tap" dynamics. In particular, we show that the stationary state depends only on two thermodynamical quantities: the gravitational energy of the first and of the second species, and not on the sample history. To describe the properties of the system, we generalize Edwards' approach by introducing a canonical distribution characterized by two configurational temperatures, conjugate to the energies of the two species. This is supported by Monte Carlo calculations showing that the average of several quantities over the tap dynamics and over such distribution coincide. The segregation problem can then be understood as an equilibrium statistical-mechanics problem with two control parameters.

  9. Testing a simple method for computing directly the bulk modulus by NPT simulation: The case of polydisperse hard sphere solids

    NASA Astrophysics Data System (ADS)

    Li, Da; Xu, Hong

    2015-10-01

    The bulk modulus of hard sphere solids has been computed directly by constant pressure Monte-Carlo simulations, using the histogram of the volume fluctuations. In considering first the one-component system, we show that the method is accurate in a large range of pressures, including high-pressure regime. The method is then applied to a polydisperse solid with relatively low polydispersity index. For illustrative purpose, we took a three-component mixture with symmetric size-distribution, and we studied the solid phase (fcc crystal) of this system. Our results show that the equation of state is very sensitive to the polydispersity. Furthermore, in the high-pressure region, where no (accurate) analytical fit for the equation of state exists, our simulations are able to predict the bulk modulus of such systems.

  10. Following the evolution of hard sphere glasses in infinite dimensions under external perturbations: compression and shear strain.

    PubMed

    Rainone, Corrado; Urbani, Pierfrancesco; Yoshino, Hajime; Zamponi, Francesco

    2015-01-01

    We consider the adiabatic evolution of glassy states under external perturbations. The formalism we use is very general. Here we use it for infinite-dimensional hard spheres where an exact analysis is possible. We consider perturbations of the boundary, i.e., compression or (volume preserving) shear strain, and we compute the response of glassy states to such perturbations: pressure and shear stress. We find that both quantities overshoot before the glass state becomes unstable at a spinodal point where it melts into a liquid (or yields). We also estimate the yield stress of the glass. Finally, we study the stability of the glass basins towards breaking into sub-basins, corresponding to a Gardner transition. We find that close to the dynamical transition, glasses undergo a Gardner transition after an infinitesimal perturbation. PMID:25615481

  11. 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.

  12. Adiabatic connection in density-functional theory: Two electrons on the surface of a sphere

    SciTech Connect

    Seidl, Michael

    2007-06-15

    Two interacting electrons that are confined to the surface of a sphere have a uniform ground-state (surface) density. The Schroedinger equation of this helium-type two-electron system is solved here accurately for different values {alpha}(set-membership sign)R of a constant that is multiplied to the electron-electron repulsion V{sub ee}. The correlation structure in the resulting wave functions is analyzed for different values of {alpha}. The asymptotic limits {alpha}{yields}0 and {alpha}{yields}{+-}{infinity} are treated analytically. Using these results, the ISI (interaction-strength interpolation) model for the density-functional E{sub xc}[{rho}] of the exchange-correlation energy in the real system with {alpha}=1 is tested against the exact adiabatic connection in density-functional theory.

  13. Development of a method for measuring the density of liquid sulfur at high pressures using the falling-sphere technique

    SciTech Connect

    Funakoshi, Ken-ichi; Nozawa, Akifumi

    2012-10-15

    We describe a new method for the in situ measurement of the density of a liquid at high pressure and high temperature using the falling-sphere technique. Combining synchrotron radiation X-ray radiography with a large-volume press, the newly developed falling-sphere method enables the determination of the density of a liquid at high pressure and high temperature based on Stokes' flow law. We applied this method to liquid sulfur and successfully obtained the density at pressures up to 9 GPa. Our method could be used for the determination of the densities of other liquid materials at higher static pressures than are currently possible.

  14. Book review: From Newton to Boltzmann: Hard Spheres and Short-range Potentials, by Isabelle Gallagher, Laure Saint-Raymond and Benjamin Texier

    E-print Network

    Sergio Simonella; Herbert Spohn

    2015-01-28

    Review of From Newton to Boltzmann: Hard Spheres and Short-range Potentials, by Isabelle Gallagher, Laure Saint-Raymond and Benjamin Texier, European Mathematical Society, Z\\"urich, 2014, xi+135 pp., ISBN 978-3- 03719-129-3.

  15. Nature of the divergence in low shear viscosity of colloidal hard-sphere dispersions Zhengdong Cheng, Jixiang Zhu, and Paul M. Chaikin

    E-print Network

    Weeks, Eric R.

    Nature of the divergence in low shear viscosity of colloidal hard-sphere dispersions Zhengdong 2002 Measurements of the low-shear viscosity o with a Zimm-Crothers viscometer for dispersions not capture the divergence. However, the nonhydrodynamic contribution to the relative viscosity o

  16. 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.

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

    PubMed

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

    2014-01-21

    An analytical equation of state (EoS) is derived to describe the isotropic (I) and nematic (N) phase of linear- and partially flexible tangent hard-sphere chain fluids and their mixtures. The EoS is based on an extension of Onsager's second virial theory that was developed in our previous work [T. van Westen, B. Oyarzún, T. J. H. Vlugt, and J. Gross, J. Chem. Phys. 139, 034505 (2013)]. Higher virial coefficients are calculated using a Vega-Lago rescaling procedure, which is hereby generalized to mixtures. The EoS is used to study (1) the effect of length bidispersity on the I-N and N-N phase behavior of binary linear tangent hard-sphere chain fluid mixtures, (2) the effect of partial molecular flexibility on the binary phase diagram, and (3) the solubility of hard-sphere solutes in I- and N tangent hard-sphere chain fluids. By changing the length bidispersity, two types of phase diagrams were found. The first type is characterized by an I-N region at low pressure and a N-N demixed region at higher pressure that starts from an I-N-N triphase equilibrium. The second type does not show the I-N-N equilibrium. Instead, the N-N region starts from a lower critical point at a pressure above the I-N region. The results for the I-N region are in excellent agreement with the results from molecular simulations. It is shown that the N-N demixing is driven both by orientational and configurational/excluded volume entropy. By making the chains partially flexible, it is shown that the driving force resulting from the configurational entropy is reduced (due to a less anisotropic pair-excluded volume), resulting in a shift of the N-N demixed region to higher pressure. Compared to linear chains, no topological differences in the phase diagram were found. We show that the solubility of hard-sphere solutes decreases across the I-N phase transition. Furthermore, it is shown that by using a liquid crystal mixture as the solvent, the solubility difference can by maximized by tuning the composition. Theoretical results for the Henry's law constant of the hard-sphere solute are in good agreement with the results from molecular simulation. PMID:25669397

  18. 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 composition. Theoretical results for the Henry's law constant of the hard-sphere solute are in good agreement with the results from molecular simulation.

  19. Quadrature-based moment closures for non-equilibrium flows: Hard-sphere collisions and approach to equilibrium

    NASA Astrophysics Data System (ADS)

    Icardi, M.; Asinari, P.; Marchisio, D. L.; Izquierdo, S.; Fox, R. O.

    2012-08-01

    Recently the Quadrature Method of Moments (QMOM) has been extended to solve several kinetic equations, in particular for gas-particle flows and rarefied gases in which the non-equilibrium effects can be important. In this work QMOM is tested as a closure for the dynamics of the Homogeneous Isotropic Boltzmann Equation (HIBE) with a realistic description for particle collisions, namely the hard-sphere model. The behaviour of QMOM far away and approaching the equilibrium is studied. Results are compared to other techniques such as the Grad's moment method (GM) and the off-Lattice Boltzmann Method (oLBM). Comparison with a more accurate and computationally expensive approach, based on the Discrete Velocity Method (DVM), is also carried out. Our results show that QMOM describes very well the evolution when it is far away from equilibrium, without the drawbacks of the GM and oLBM or the computational costs of DVM, but it is not able to accurately reproduce equilibrium and the dynamics close to it. Static and dynamic corrections to cure this behaviour are here proposed and tested.

  20. Second-order Barker-Henderson perturbation theory for the phase behavior of polydisperse Morse hard-sphere mixture

    E-print Network

    T. V. Hvozd; Yu. V. Kalyuzhnyi

    2015-04-06

    We propose an extension of the second-order Barker-Henderson perturbation theory for polydisperse hard-sphere multi-Morse mixture. To verify the accuracy of the theory, we compare its predictions for the limiting case of monodisperse system, with predictions of the very accurate reference hypernetted chain approximation. The theory is used to describe the liquid-gas phase behavior of the mixture with different type and different degree of polydispersity. In addition to the regular liquid-gas critical point, we observe the appearance of the second critical point induced by polydispersity. With polydispersity increase, the two critical points merge and finally disappear. The corresponding cloud and shadow curves are represented by the closed curves with 'liquid' and 'gas' branches of the cloud curve almost coinciding for higher values of polydispersity. With a further increase of polydispersity, the cloud and shadow curves shrink and finally disappear. Our results are in agreement with the results of the previous studies carried out on the qualitative van der Waals level of description.

  1. Equivalence of kinetic-theory and random-matrix approaches to Lyapunov spectra of hard-sphere systems

    E-print Network

    A. S. de Wijn

    2010-03-30

    In the study of chaotic behaviour of systems of many hard spheres, Lyapunov exponents of small absolute value exhibit interesting characteristics leading to speculations about connections to non-equilibrium statistical mechanics. Analytical approaches to these exponents so far can be divided into two groups, macroscopically oriented approaches, using kinetic theory or hydrodynamics, and more microscopically oriented random-matrix approaches in quasi-one-dimensional systems. In this paper, I present an approach using random matrices and weak disorder expansion in an arbitrary number of dimensions. Correlations between subsequent collisions of a particle are taken into account. It is shown that the results are identical to those of a previous approach based on an extended Enskog-equation. I conclude that each approach has its merits, and provides different insights into the approximations made, which include the Sto{\\ss}zahlansatz, the continuum limit, and the long-wavelength approximation. The comparison also gives insight into possible connections between Lyapunov exponents and fluctuations.

  2. Kinetic Theory of Response Functions for the Hard Sphere Granular Fluid

    E-print Network

    Aparna Baskaran; James W. Dufty; J. Javier Brey

    2007-08-05

    The response functions for small spatial perturbations of a homogeneous granular fluid have been described recently. In appropriate dimensionless variables, they have the form of stationary state time correlation functions. Here, these functions are expressed in terms of reduced single particle functions that are expected to obey a linear kinetic equation. The functional assumption required for such a kinetic equation, and a Markov approximation for its implementation are discussed. If, in addition, static velocity correlations are neglected, a granular fluid version of the linearized Enskog kinetic theory is obtained. The derivation makes no a priori limitation on the density, space and time scale, nor degree of inelasticity. As an illustration, recently derived Helfand and Green-Kubo expressions for the Navier-Stokes order transport coefficients are evaluated with this kinetic theory. The results are in agreement with those obtained from the Chapman-Enskog solution to the nonlinear Enskog kinetic equation.

  3. Global validity of the Master kinetic equation for hard-sphere systems

    NASA Astrophysics Data System (ADS)

    Tessarotto, M.; Cremaschini, C.; Asci, C.; Soranzo, A.; Tironi, G.

    2015-08-01

    Following the recent establishment of an exact kinetic theory realized by the Master kinetic equation which describes the statistical behavior of the Boltzmann-Sinai Classical Dynamical System (CDS), in this paper the problem is posed of the construction of the related global existence and regularity theorems. For this purpose, based on the global prescription of the same CDS for arbitrary single- and multiple-collision events, first global existence is extablished for the N-body Liouville equation which is written in Lagrangian differential and integral forms. This permits to reach the proof of global existence both of generic N-body probability density functions (PDF) as well as of particular solutions which maximize the statistical Boltzmann-Shannon entropy and are factorized in terms of the corresponding 1-body PDF. The latter PDF is shown to be uniquely defined and to satisfy the Master kinetic equation globally in the extended 1-body phase space. Implications concerning the global validity of the asymptotic Boltzmann equation and Boltzmann H-theorem are discussed.

  4. 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.

  5. An effective medium approach for the elongational viscosity of non-colloidal and non-Brownian hard-sphere suspensions

    NASA Astrophysics Data System (ADS)

    Housiadas, Kostas D.

    2015-08-01

    An effective-medium fluid mechanics model based on the original idea first presented by Brinkman ["A calculation of the viscous force exerted by a flowing fluid on a dense swarm of particles," Appl. Sci. Res. 1, 27-34 (1949)] for the viscous force exerted by a flowing fluid on a dense swarm of fixed spherical particles is utilized for the prediction of the elongational viscosity of a non-colloidal, non-Brownian hard-sphere suspension in an incompressible Newtonian matrix fluid. The same model was explored by Housiadas and Tanner ["A model for the shear viscosity of non-colloidal suspensions with Newtonian matrix fluids," Rheol. Acta 53, 831-841 (2014)] for the derivation of an analytical formula for the bulk shear viscosity of the suspension as a function of the volume fraction of the solid phase, a formula which is in very good agreement with widely used semi-empirical relationships and available experimental data from the literature. In the present paper, it is assumed that a spherical particle is subject, in an average sense, to a far-field uniform uniaxial elongational flow and a suitable pressure gradient. Under steady, isothermal, creeping conditions, and imposing no-slip and no-penetration conditions at the surface of a particle in a stagnation point of the fluid and the far-field velocity and pressure profiles, the solution of the three-dimensional Brinkman equations is found analytically. The solution shows a faster decay of the velocity disturbances around a reference particle than the single-particle case. A volume average of the total stress tensor gives an analytical formula for the bulk elongational viscosity of the complex system as a function of the particle concentration. A significant increase of the elongation viscosity with increasing the particle concentration is predicted. The increase is larger than the corresponding increase of the shear viscosity, in qualitative accordance with the theoretical formula of Batchelor and Green ["The determination of the bulk stress in a suspension of spherical particles to order c2" J. Fluid Mech. 56(3), 401-427 (1972)]. The new formula reduces to Einstein's expression in the infinite dilution limit and agrees well with other theoretical formulas in the semi-dilute regime. Moreover, the agreement of the new formula with recently developed semi-empirical formulas over the whole concentration regime is remarkable. Finally, the model predictions perform very well, and better than other formulas, when compared with a few experimental data for extensional measurements of hard-particle suspensions from the literature.

  6. Co-pelletization of sewage sludge and biomass: the density and hardness of pellet.

    PubMed

    Jiang, Longbo; Liang, Jie; Yuan, Xingzhong; Li, Hui; Li, Changzhu; Xiao, Zhihua; Huang, Huajun; Wang, Hou; Zeng, Guangming

    2014-08-01

    In the present study, the effects of process parameters on pellet properties were investigated for the co-pelletization of sludge and biomass materials. The relaxed pellet density and Meyer hardness of pellets were identified. Scanning electron microscopy, FT-IR spectra and chemical analysis were conducted to investigate the mechanisms of inter-particular adhesion bonding. Thermogravimetric analysis was applied to investigate the combustion characteristics. Results showed that the pellet density was increased with the parameters increasing, such as pressure, sludge ratio and temperature. High hardness pellets could be obtained at low pressure, temperature and biomass size. The optimal moisture content for co-pelletization was 10-15%. Moreover, the addition of sludge can reduce the diversity of pellet hardness caused by the heterogeneity of biomass. Increasing ratio of sludge in the pellet would slow down the release of volatile. Synergistic effects of protein and lignin can be the mechanism in the co-pelletization of sludge and biomass. PMID:24935004

  7. Lattice gas generalization of the hard hexagon model. II. The local densities as elliptic functions

    SciTech Connect

    Andrews, G.E.; Baxter, R.J.

    1986-09-01

    In a previous paper we considered an extension of the hard hexagon model to a solvable two-dimensional lattice gas with at most two particles per pair of adjacent sites. Here we use various mathematical identities (in particular Gordon's generalization of the Rogers-Ramanujan relations) to express the local densities in terms of elliptic functions. The critical behavior is then readily obtained.

  8. A new approach to the equation of state of silicate melts: An application of the theory of hard sphere mixtures

    E-print Network

    ) Liquids do not follow the Birch's law of corresponding state as opposed to solids and glasses; (3) The Gru arrangement of these spheres gives the entropic contribution to compression, while the Columbic attraction

  9. Intercomparison of density and temperature profiles obtained by lidar, ionizatoin gauges, falling spheres, datasondes and radiosondes during the DYANA campaign

    NASA Technical Reports Server (NTRS)

    Lubken, F.-J.; Hillert, W.; Lehmacher, G.; Von Zahn, U.; Bittner, M.; Offermann, D.; Schmidlin, F. J.; Hauchecorne, A.; Mourier, M.; Czechowsky, P.

    1994-01-01

    During the course of the DYnamics Adapted Network for the Atmosphere (DYANA) campaign in early 1990, various techniques to measure densities and temperatures from the ground up to the lower thermosphere were employed. Some of these measurements were performed near simultaneously (maximum allowed time difference: 1 h) and at the same location, and therefore offered the unique chance of intercomparison of different techniques. In this study, we will report on intercomparisons of data from ground-based instruments (Rayleigh- and sodium-lidar), balloon-borne methods (datasondes and radiosondes) and rocket-borne techniques (falling spheres and ionization gauges). The main result is that there is good agreement between the various measurements when considering the error bars. Only occasionally did we notice small but systematic differences (e.g. for the datasondes above 65 km). The most extensive intercomparison was possible between the Rayleigh lidar and the falling sphere technique, both employed in Biscarrosse (44 deg N, 1 deg W). Concerning densities, excellent agreement was found below 63 km: the mean of the deviations is less than 1% and the root mean square (RMS) is approximately 3%. Systematic differences of the order of 5% were noticed around 67 km and above 80 km. The former can be accounted for by an instrumental effect of the falling sphere (Ma = 1 transition; Ma = Mach number), whereas the latter is tentatively explained by the presence of Mie scatterers in the upper mesosphere. Concerning temperatures, the agreement is excellent between 35 and 65 km: the mean of the deviations is less than +/- 3 K and the variability is +/- 5 K. The two systematic density differences mentioned above also affect the temperatures: between 65 and 80 km, the Rayleigh lidar temperatures are systematically lower than the falling sphere values by approximately 5 K.

  10. Hardness of FeB{sub 4}: Density functional theory investigation

    SciTech Connect

    Zhang, Miao; Du, Yonghui; Gao, Lili; Lu, Mingchun; Lu, Cheng; Liu, Hanyu

    2014-05-07

    A recent experimental study reported the successful synthesis of an orthorhombic FeB{sub 4} with a high hardness of 62(5) GPa [H. Gou et al., Phys. Rev. Lett. 111, 157002 (2013)], which has reignited extensive interests on whether transition-metal borides compounds will become superhard materials. However, it is contradicted with some theoretical studies suggesting transition-metal boron compounds are unlikely to become superhard materials. Here, we examined structural and electronic properties of FeB{sub 4} using density functional theory. The electronic calculations show the good metallicity and covalent Fe–B bonding. Meanwhile, we extensively investigated stress-strain relations of FeB{sub 4} under various tensile and shear loading directions. The calculated weakest tensile and shear stresses are 40 GPa and 25 GPa, respectively. Further simulations (e.g., electron localization function and bond length along the weakest loading direction) on FeB{sub 4} show the weak Fe–B bonding is responsible for this low hardness. Moreover, these results are consistent with the value of Vickers hardness (11.7–32.3 GPa) by employing different empirical hardness models and below the superhardness threshold of 40 GPa. Our current results suggest FeB{sub 4} is a hard material and unlikely to become superhard (>40 GPa)

  11. Effective densities of hard coals as a function of their genetic characteristics

    SciTech Connect

    Dobronravov, V.F.

    1985-01-01

    A quantitative analysis has been made of the change in the effective densities of hard coals as a function of the stage of metamorphism, petrographic composition, and degree of reduction. In the sintering and in the leaning components, this index changes along a curve with a minimum at the medium states of metamorphism. The influence of the petrographic composition is a maximum in the region of fat coals and is the range of 0.04-0.07 g/cm/sup 3/. The influence of the degree of reduction is small and decreases with a rise in rank. A formula is proposed for calculating the effective densities of hard coals from their genetic parameters.

  12. Microwave scattering coefficient of snow in MEMLS and DMRT-ML revisited: the relevance of sticky hard spheres and tomography-based estimates of stickiness

    NASA Astrophysics Data System (ADS)

    Löwe, H.; Picard, G.

    2015-11-01

    The description of snow microstructure in microwave models is often simplified to facilitate electromagnetic calculations. Within dense media radiative transfer (DMRT), the microstructure is commonly described by sticky hard spheres (SHS). An objective mapping of real snow onto SHS is however missing which prevents measured input parameters from being used for DMRT. In contrast, the microwave emission model of layered snowpacks (MEMLS) employs a conceptually different approach, based on the two-point correlation function which is accessible by tomography. Here we show the equivalence of both electromagnetic approaches by reformulating their microstructural models in a common framework. Using analytical results for the two-point correlation function of hard spheres, we show that the scattering coefficient in both models only differs by a factor which is close to unity, weakly dependent on ice volume fraction and independent of other microstructural details. Additionally, our analysis provides an objective retrieval method for the SHS parameters (diameter and stickiness) from tomography images. For a comprehensive data set we demonstrate the variability of stickiness and compare the SHS diameter to the optical equivalent diameter. Our results confirm the necessity of a large grain-size scaling when relating both diameters in the non-sticky case, as previously suggested by several authors.

  13. Molecular dynamics and theory for the contact values of the radial distribution functions of hard-disk uid mixtures

    E-print Network

    Luding, Stefan

    Molecular dynamics and theory for the contact values of the radial distribution functions of hard of the radial distribution functions of binary additive mixtures of hard disks. The simulation data are compared especially in the high-density domain. I. INTRODUCTION Model systems of hard disks and hard spheres are use

  14. Hard x-ray radiography for density measurement in shock compressed matter

    SciTech Connect

    Ravasio, A.; Koenig, M.; Benuzzi-Mounaix, A.; Ozaki, N.; Loupias, B.; Vinci, T.; Le Pape, S.; Park, H. S.; Patel, P.; Mackinnon, A.; Cecchetti, C.; Borghesi, M.; Schiavi, A.; Batani, D.; Dezulian, R.; Boehly, T.; Henry, E.; Notley, M.; Bandyopadhyay, S.; Clarke, R.

    2008-06-15

    In this letter we report on the direct density measurement in a shock compressed aluminum target using hard x-ray radiography. Experimental data employing a molybdenum K{alpha} source at 17.5 keV, generated with a short pulse laser are presented. High spatial resolution was obtained thanks to a new design for the backlighter geometry. Density values deduced from radiography are compared to predictions from hydrodynamic simulations, which have been calibrated in order to reproduce shock velocities measured from a rear-side self-emission diagnostic. Our results reveal the great potential of this technique as a diagnostic tool for direct density measurements in dense high-Z opaque materials.

  15. Dynamics of hard-sphere suspension using Dynamic Light Scattering and X-Ray Photon Correlation Spectroscopy: dynamics and scaling of the Intermediate Scattering Function

    E-print Network

    V. A. Martinez; J. H. J Thijssen; F. Zontone; W. van Megen; G. Bryant

    2010-08-12

    Intermediate Scattering Functions (ISF's) are measured for colloidal hard sphere systems using both Dynamic Light Scattering (DLS) and X-ray Photon Correlation Spectroscopy (XPCS). We compare the techniques, and discuss the advantages and disadvantages of each. Both techniques agree in the overlapping range of scattering vectors. We investigate the scaling behaviour found by Segre and Pusey [1] but challenged by Lurio et al. [2]. We observe a scaling behaviour over several decades in time but not in the long time regime. Moreover, we do not observe long time diffusive regimes at scattering vectors away from the peak of the structure factor and so question the existence of a long time diffusion coefficients at these scattering vectors.

  16. The influence of bond-rigidity and cluster diffusion on the self-diffusion of hard spheres with square-well interaction

    E-print Network

    Sujin Babu; Jean Christophe Gimel; Taco Nicolai; C. De Michele

    2007-11-02

    Hard spheres interacting through a square-well potential were simulated using two different methods: Brownian Cluster Dynamics (BCD) and Event Driven Brownian Dynamics (EDBD). The structure of the equilibrium states obtained by both methods were compared and found to be almost the identical. Self diffusion coefficients ($D$) were determined as a function of the interaction strength. The same values were found using BCD or EDBD. Contrary the EDBD, BCD allows one to study the effect of bond rigidity and hydrodynamic interaction within the clusters. When the bonds are flexible the effect of attraction on $D$ is relatively weak compared to systems with rigid bonds. $D$ increases first with increasing attraction strength, and then decreases for stronger interaction. Introducing intra-cluster hydrodynamic interaction weakly increases $D$ for a given interaction strength. Introducing bond rigidity causes a strong decrease of $D$ which no longer shows a maximum as function of the attraction strength.

  17. A comparison of measured and predicted sphere shock shapes in hypersonic flows with density ratios from 4 to 19

    NASA Technical Reports Server (NTRS)

    Miller, C. G., III

    1975-01-01

    Measured shock shapes are presented for sphere and hemisphere models in helium, air, CF4, C2F6, and CO2 test gases, corresponding to normal-shock density ratios (primary factor governing shock detachment distance of blunt bodies at hypersonic speeds) from 4 to 19. These shock shapes were obtained in three facilities capable of generating the high density ratios experienced during planetary entry at hypersonic conditions; namely, the 6-inch expansion tube, with hypersonic CF4 tunnel, and pilot CF4 Mach 6 tunnel (with CF4 replaced by C2F6). Measured results are compared with several inviscid perfect-gas shock shape predictions, in which an effective ratio of specific heats is used as input, and with real-gas predictions which include effects of a laminar viscous layer and thermochemical nonequilibrium.

  18. First Results from a New Rigid Falling Sphere Probe to Measure Winds, Density, and Temperature in the Mesosphere and Lower Thermosphere

    NASA Astrophysics Data System (ADS)

    Fish, C. S.; Larsen, M. F.; Pfaff, R. F., Jr.; Fullmer, R.; Swenson, C.; Martineau, R.; Sanderson, W.; Pilinski, M.

    2014-12-01

    We outline the development, test, calibration, and results from the first flights of a new rigid falling sphere probe which were launched in the summers of 2011 and 2013 as part of the NASA Daytime Dynamo sounding rocket campaign at Wallops Island, Virginia. Using highly sensitive accelerometers in conjunction with GPS data, the new rigid falling sphere probe provides a new means to detect the neutral wind, density, and temperature measurements, primarily below approximately 130 km. Initial results will be shown and the accuracy of this technique will be assessed. The maturing of the falling sphere technique provides a possible complement to the well-established vapor trail technique.

  19. PREFACE: Classical density functional theory methods in soft and hard matter Classical density functional theory methods in soft and hard matter

    NASA Astrophysics Data System (ADS)

    Haataja, Mikko; Gránásy, László; Löwen, Hartmut

    2010-08-01

    Herein we provide a brief summary of the background, events and results/outcome of the CECAM workshop 'Classical density functional theory methods in soft and hard matter held in Lausanne between October 21 and October 23 2009, which brought together two largely separately working communities, both of whom employ classical density functional techniques: the soft-matter community and the theoretical materials science community with interests in phase transformations and evolving microstructures in engineering materials. After outlining the motivation for the workshop, we first provide a brief overview of the articles submitted by the invited speakers for this special issue of Journal of Physics: Condensed Matter, followed by a collection of outstanding problems identified and discussed during the workshop. 1. Introduction Classical density functional theory (DFT) is a theoretical framework, which has been extensively employed in the past to study inhomogeneous complex fluids (CF) [1-4] and freezing transitions for simple fluids, amongst other things. Furthermore, classical DFT has been extended to include dynamics of the density field, thereby opening a new avenue to study phase transformation kinetics in colloidal systems via dynamical DFT (DDFT) [5]. While DDFT is highly accurate, the computations are numerically rather demanding, and cannot easily access the mesoscopic temporal and spatial scales where diffusional instabilities lead to complex solidification morphologies. Adaptation of more efficient numerical methods would extend the domain of DDFT towards this regime of particular interest to materials scientists. In recent years, DFT has re-emerged in the form of the so-called 'phase-field crystal' (PFC) method for solid-state systems [6, 7], and it has been successfully employed to study a broad variety of interesting materials phenomena in both atomic and colloidal systems, including elastic and plastic deformations, grain growth, thin film growth, solid-liquid interface properties, glassy dynamics, nucleation and growth, and diffusive phase transformations at the nano- and mesoscales [8-16]. The appealing feature of DDFT (as applied to solid-state systems) is that it automatically incorporates diffusive dynamics with atomic scale spatial resolution, and it naturally incorporates multiple components, elastic strains, dislocations, free surfaces, and multiple crystalline orientations; all of these features are critical in modeling the behavior of solid-state systems. Similarities between the problems of interest to the two communities and the complementary nature of the methods they apply suggest that a direct interaction between them should be highly beneficial for both parties. Here we summarize some of the discussions during a three-day CECAM workshop in Lausanne (21-23 October 2009) which was organized in order to bring together researchers from the complex fluids and materials science communities and to foster the exchange of ideas between these two communities. During the course of the workshop, several open problems relevant to both fields (DFT and PFC) were identified, including developing better microscopically-informed density functionals, incorporating stochastic fluctuations, and accounting for hydrodynamic interactions. The goal of this special issue is to highlight recent progress in DFT and PFC approaches, and discuss key outstanding problems for future work. The rest of this introductory paper is organized as follows. In section 2, we give a brief overview of the current research topics addressed in this special issue. Then, in section 3, we present a collection of outstanding problems, which have been identified as important for further developments of the two fields and intensely debated at the CECAM workshop. Finally, we close the paper with a few concluding remarks. 2. Research topics addressed in this special issue This special issue consists of research papers that cover a broad range of interesting subjects, about a half of which are related to the theoretical materials science community and

  20. Unit-Sphere Anisotropic Multiaxial Stochastic-Strength Model Probability Density Distribution for the Orientation of Critical Flaws

    NASA Technical Reports Server (NTRS)

    Nemeth, Noel

    2013-01-01

    Models that predict the failure probability of monolithic glass and ceramic components under multiaxial loading have been developed by authors such as Batdorf, Evans, and Matsuo. These "unit-sphere" failure models assume that the strength-controlling flaws are randomly oriented, noninteracting planar microcracks of specified geometry but of variable size. This report develops a formulation to describe the probability density distribution of the orientation of critical strength-controlling flaws that results from an applied load. This distribution is a function of the multiaxial stress state, the shear sensitivity of the flaws, the Weibull modulus, and the strength anisotropy. Examples are provided showing the predicted response on the unit sphere for various stress states for isotropic and transversely isotropic (anisotropic) materials--including the most probable orientation of critical flaws for offset uniaxial loads with strength anisotropy. The author anticipates that this information could be used to determine anisotropic stiffness degradation or anisotropic damage evolution for individual brittle (or quasi-brittle) composite material constituents within finite element or micromechanics-based software

  1. Significance of non-perturbative input to TMD gluon density for hard processes at LHC

    E-print Network

    Grinyuk, A A; Lykasov, G I; Zotov, N P

    2015-01-01

    We study the role of the non-perturbative input to the transverse momentum dependent (TMD) gluon density in hard processes at the LHC. We derive the input TMD gluon distribution at low scale mu0^2 ~ 1 GeV^2 from the fit of the inclusive hadron spectra measured at low transverse momenta in pp collisions at the LHC and demonstrate that the best description of these spectra for larger hadron transverse momenta can be achieved by matching the derived TMD gluon distribution with the exact solution of the Balitsky-Fadin-Kuraev-Lipatov (BFKL) equation obtained at low x and small gluon transverse momenta outside the saturation region. Then, we extend the input TMD gluon density to higher mu^2 numerically using the Catani-Ciafoloni-Fiorani-Marchesini (CCFM) gluon evolution equation. A special attention is put to the phenomenological applications of obtained TMD gluon density to some LHC processes, which are sensitive to the gluon content of a proton.

  2. Significance of non-perturbative input to TMD gluon density for hard processes at LHC

    E-print Network

    A. A. Grinyuk; A. V. Lipatov; G. I. Lykasov; N. P. Zotov

    2015-10-27

    We study the role of the non-perturbative input to the transverse momentum dependent (TMD) gluon density in hard processes at the LHC. We derive the input TMD gluon distribution at low scale mu0^2 ~ 1 GeV^2 from the fit of the inclusive hadron spectra measured at low transverse momenta in pp collisions at the LHC and demonstrate that the best description of these spectra for larger hadron transverse momenta can be achieved by matching the derived TMD gluon distribution with the exact solution of the Balitsky-Fadin-Kuraev-Lipatov (BFKL) equation obtained at low x and small gluon transverse momenta outside the saturation region. Then, we extend the input TMD gluon density to higher mu^2 numerically using the Catani-Ciafoloni-Fiorani-Marchesini (CCFM) gluon evolution equation. A special attention is put to the phenomenological applications of obtained TMD gluon density to some LHC processes, which are sensitive to the gluon content of a proton.

  3. Expansion-free evolving spheres must have inhomogeneous energy density distributions

    SciTech Connect

    Herrera, L.; Le Denmat, G.; Santos, N. O.

    2009-04-15

    In a recent paper a systematic study on shearing expansion-free spherically symmetric distributions was presented. As a particular case of such systems, the Skripkin model was mentioned, which corresponds to a nondissipative perfect fluid with a constant energy density. Here we show that such a model is inconsistent with junction conditions. It is shown that in general for any nondissipative fluid distribution, the expansion-free condition requires the energy density to be inhomogeneous. As an example we consider the case of dust, which allows for a complete integration.

  4. Equilibrium and shear induced nonequilibrium phase behavior of PMMA microgel spheres

    SciTech Connect

    Paulin, S.E.; Ackerson, B.J.; Wolfe, M.S.

    1996-03-01

    Polymethylmethacrylate (PMMA) spheres suspended in benzyl alcohol are found to swell to more than two times that of their dry radius and have been observed to undergo an equilibrium phase transition from liquid to crystalline structure with increasing concentration. The width of the coexistence region is found to be narrower by nearly half compared to simulation results for hard sphere systems. Comparison of the measured freezing point and fractional density change upon melting with those calculated from soft sphere simulations are consistent with a purely repulsive interparticle potential on the order of 1/r{sup 20}. Analysis of powder pattern scattering profiles from samples in the crystallized region of the equilibrium phase diagram indicates crystallites made up of a registered random stacking of hexagonal close packed planes, similar to that found in monodisperse suspensions of hard spheres. With the application of oscillatory shear, nonequilibrium microstructures similar to those found in model hard sphere systems have been observed in these suspensions.

  5. Equilibrium theory of the hard sphere fluid and glasses in the metastable regime up to jamming. II. Structure and application to hopping dynamics.

    PubMed

    Jadrich, Ryan; Schweizer, Kenneth S

    2013-08-01

    Building on the equation-of-state theory of Paper I, we construct a new thermodynamically consistent integral equation theory for the equilibrium pair structure of 3-dimensional monodisperse hard spheres applicable up to the jamming transition. The approach is built on a two Yukawa generalized mean spherical approximation closure for the direct correlation function (DCF) beyond contact that reproduces the exact contact value of the pair correlation function and isothermal compressibility. The detailed construction of the DCF is guided by the desire to capture its distinctive features as jamming is approached. Comparison of the theory with jamming limit simulations reveals good agreement for many, but not all, of the key features of the pair correlation function. The theory is more accurate in Fourier space where predictions for the structure factor and DCF are accurate over a wide range of wavevectors from significantly below the first cage peak to very high wavevectors. New features of the equilibrium pair structure are predicted for packing fractions below jamming but well above crystallization. For example, the oscillatory DCF decays very slowly at large wavevectors for high packing fractions as a consequence of the unusual structure of the radial distribution function at small separations. The structural theory is used as input to the nonlinear Langevin equation theory of activated dynamics, and calculations of the alpha relaxation time based on single particle hopping are compared to recent colloid experiments and simulations at very high volume fractions. PMID:23927265

  6. Equilibrium theory of the hard sphere fluid and glasses in the metastable regime up to jamming. II. Structure and application to hopping dynamics

    NASA Astrophysics Data System (ADS)

    Jadrich, Ryan; Schweizer, Kenneth S.

    2013-08-01

    Building on the equation-of-state theory of Paper I, we construct a new thermodynamically consistent integral equation theory for the equilibrium pair structure of 3-dimensional monodisperse hard spheres applicable up to the jamming transition. The approach is built on a two Yukawa generalized mean spherical approximation closure for the direct correlation function (DCF) beyond contact that reproduces the exact contact value of the pair correlation function and isothermal compressibility. The detailed construction of the DCF is guided by the desire to capture its distinctive features as jamming is approached. Comparison of the theory with jamming limit simulations reveals good agreement for many, but not all, of the key features of the pair correlation function. The theory is more accurate in Fourier space where predictions for the structure factor and DCF are accurate over a wide range of wavevectors from significantly below the first cage peak to very high wavevectors. New features of the equilibrium pair structure are predicted for packing fractions below jamming but well above crystallization. For example, the oscillatory DCF decays very slowly at large wavevectors for high packing fractions as a consequence of the unusual structure of the radial distribution function at small separations. The structural theory is used as input to the nonlinear Langevin equation theory of activated dynamics, and calculations of the alpha relaxation time based on single particle hopping are compared to recent colloid experiments and simulations at very high volume fractions.

  7. Solution of the Chandler{endash}Silbey{endash}Ladanyi equation for the multicomponent hard-sphere site{endash}site molecular fluid: Percus{endash}Yevick approximation

    SciTech Connect

    Kalyuzhnyi, Y.V.; Cummings, P.T.

    1996-08-01

    The analytical solution of the Chandler{endash}Silbey{endash}Ladanyi Percus{endash}Yevick (CSL-PY) approximation for multicomponent molecular site{endash}site fluids is presented. The molecules are modeled by a collection of an arbitrary number of hard-sphere sites of any size and geometrical arrangement, provided only that all sites are in contact and the bonding distance is equal to the contact distance between the sites of the molecule. Assuming an additional approximation for the intramolecular correlation between the molecular sites not bonded directly the solution is extended to the case of flexible molecules. A closed-form analytical expression for the compressibility equation of state is derived. In the case of the linear flexible chain model polymer system, this equation of state coincides with the equation of state derived earlier [Y. C. Chiew, Mol. Phys. {bold 70}, 129 (1990)]. Comparison of the theory with computer simulation results shows that predictions of the CSL-PY theory for the compressibility pressure of the star polymer system is fairly accurate, while the structural predictions for linear chain {ital n}-mers are quantitatively accurate only for the systems of dimers. {copyright} {ital 1996 American Institute of Physics.}

  8. Compressibility and hardness of Co-based bulk metallic glass: A combined experimental and density functional theory study

    SciTech Connect

    Wang Jianfeng; Li Ran; Xu Tao; Li Yan; Liu Zengqian; Huang Lu; Hua Nengbin; Zhang Tao; Xiao Ruijuan; Li Gong; Li Yanchun

    2011-10-10

    An incompressible Co{sub 54}Ta{sub 11}B{sub 35} bulk metallic glass (BMG) was investigated using in situ high-pressure synchrotron diffraction and nanoindendation. The elastic constants were deduced from the experiments based on the isotropic model. The Vickers hardness was measured to be 17.1 GPa. The elastic moduli and hardness are the highest values known in BMGs. The theoretically calculated elastic properties by density-functional study were well consistent with experimental measurements. The analysis of charge density and bonding character indicates the covalent character of Co-B and B-B bonds, underlying the unusually high elastic modulus and hardness in this material.

  9. Applications of Robust, Radiation Hard AlGaN Optoelectronic Devices in Space Exploration and High Energy Density Physics

    SciTech Connect

    Sun, K.

    2011-05-04

    This slide show presents: space exploration applications; high energy density physics applications; UV LED and photodiode radiation hardness; UV LED and photodiode space qualification; UV LED AC charge management; and UV LED satellite payload instruments. A UV LED satellite will be launched 2nd half 2012.

  10. THE FIRST HARD X-RAY POWER SPECTRAL DENSITY FUNCTIONS OF ACTIVE GALACTIC NUCLEUS

    SciTech Connect

    Shimizu, T. Taro; Mushotzky, Richard F.

    2013-06-10

    We present results of our power spectral density (PSD) analysis of 30 active galactic nuclei (AGNs) using the 58 month light curves from Swift's Burst Alert Telescope (BAT) in the 14-150 keV band. PSDs were fit using a Monte Carlo based algorithm to take into account windowing effects and measurement error. All but one source were found to be fit very well using an unbroken power law with a slope of {approx} - 1, consistent at low frequencies with previous studies in the 2-10 keV band, with no evidence of a break in the PSD. For five of the highest signal-to-noise ratio sources, we tested the energy dependence of the PSD and found no significant difference in the PSD at different energies. Unlike previous studies of X-ray variability in AGNs, we do not find any significant correlations between the hard X-ray variability and different properties of the AGN including luminosity and black hole mass. The lack of break frequencies and correlations seem to indicate that AGNs are similar to the high state of Galactic black holes.

  11. Dependence of hardness and stiffness on density of Ta{sub 2}O{sub 5} and TiO{sub 2} layers

    SciTech Connect

    Baker, S.P.; Ottermann, C.R.; Bange, K.; Laube, M.; Rauch, F.

    1997-05-01

    Highly refractive amorphous TiO{sub 2} and Ta{sub 2}O{sub 5} films with thicknesses between 270 and 514 nm were deposited on fused silica glass substrates by reactive evaporation and reactive ion plating. Density, hardness, and stiffness were investigated as a function of deposition process. The films were examined using Rutherford backscattering spectroscopy and were found to have densities between 72 and 100% of those of the corresponding bulk oxides. Nanoindentation studies indicated a strong correlation between density and both hardness and elastic stiffness of the oxide film materials. Hardness and modulus both varied by more than 40% over this density range.

  12. 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

  13. AlGaN UV LED and Photodiodes Radiation Hardness and Space Qualifications and Their Applications in Space Science and High Energy Density Physics

    SciTech Connect

    Sun, K. X.

    2011-05-31

    This presentation provides an overview of robust, radiation hard AlGaN optoelectronic devices and their applications in space exploration & high energy density physics. Particularly, deep UV LED and deep UV photodiodes are discussed with regard to their applications, radiation hardness and space qualification. AC charge management of UV LED satellite payload instruments, which were to be launched in late 2012, is covered.

  14. Halogen bonding from a hard and soft acids and bases perspective: investigation by using density functional theory reactivity indices.

    PubMed

    Pinter, Balazs; Nagels, Nick; Herrebout, Wouter A; De Proft, Frank

    2013-01-01

    Halogen bonds between the trifluoromethyl halides CF(3)Cl, CF(3)Br and CF(3)I, and dimethyl ether, dimethyl sulfide, trimethylamine and trimethyl phosphine were investigated using Pearson's hard and soft acids and bases (HSAB) concept with conceptual DFT reactivity indices, the Ziegler-Rauk-type energy-decomposition analysis, the natural orbital for chemical valence (NOCV) framework and the non-covalent interaction (NCI) index. It is found that the relative importance of electrostatic and orbital (charge transfer) interactions varies as a function of both the donor and acceptor molecules. Hard and soft interactions were distinguished and characterised by atomic charges, electrophilicity and local softness indices. Dual-descriptor plots indicate an orbital ? hole on the halogen similar to the electrostatic ? hole manifested in the molecular electrostatic potential. The predicted high halogen-bond-acceptor affinity of N-heterocyclic carbenes was evidenced in the highest complexation energy for the hitherto unknown CF(3) I·NHC complex. The dominant NOCV orbital represents an electron-density deformation according to a n??*-type interaction. The characteristic signal found in the reduced density gradient versus electron-density diagram corresponds to the non-covalent interaction between contact atoms in the NCI plots, which is the manifestation of halogen bonding within the NCI theory. The unexpected C-X bond strengthening observed in several cases was rationalised within the molecular orbital framework. PMID:23169478

  15. Lattice gas generalization of the hard hexagon model. I. Star-triangle relation and local densities

    SciTech Connect

    Baxter, R.J.; Andrews, G.E.

    1986-07-01

    In the solvable hard hexagon model there is at most one particle in every pair of adjacent sites, and the solution automatically leads to various mathematical identities, in particular to the Rogers-Ramanujan relations. These relations have been generalized by Gordon. Here we construct a solvable model with at most two particles per pair of adjacent sites, and find the solution involves the next of Gordon's relations. We conjecture the corresponding solution for a model with at most n particles per pair of adjacent sites: this involves all Gordon's relations, as well as others that we will discuss in a subsequent paper.

  16. Low-dislocation-density epitatial layers grown by defect filtering by self-assembled layers of spheres

    DOEpatents

    Wang, George T.; Li, Qiming

    2013-04-23

    A method for growing low-dislocation-density material atop a layer of the material with an initially higher dislocation density using a monolayer of spheroidal particles to bend and redirect or directly block vertically propagating threading dislocations, thereby enabling growth and coalescence to form a very-low-dislocation-density surface of the material, and the structures made by this method.

  17. Catalytic hollow spheres

    NASA Technical Reports Server (NTRS)

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

    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.

  18. Catalytic, hollow, refractory spheres

    NASA Technical Reports Server (NTRS)

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

    1987-01-01

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

  19. 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.

  20. Birthing Sphere.

    PubMed

    Walker, Peter; Purdin, Susan

    2004-06-01

    This paper tells the story of the initiation and first year of Sphere. It traces the history of how the project was started and its relationship to other major events of that time, principally the multi-donor Rwanda evaluation. The paper describes how the basic structure of the Sphere standards was agreed upon and discusses why some sectors were eventually left out of the standards. Tensions and public disagreements between the agencies that created Sphere are discussed, along with the manner in which the chosen working processes contributed to the successful publication of the Sphere standards. We show how the process of policy formulation, which led up to the publication of the first edition of the Sphere standards, was as dependent upon the ability of the project team to work opportunistically as it was upon the application of agency principles. Finally the paper reflects upon the success of Sphere and lessons that can be learned from this early Sphere process. PMID:15186358

  1. Pair structure of the hard-sphere Yukawa fluid: An improved analytic method versus simulations, Rogers-Young scheme, and experiment

    NASA Astrophysics Data System (ADS)

    Heinen, Marco; Holmqvist, Peter; Banchio, Adolfo J.; Nägele, Gerhard

    2011-01-01

    We present a comprehensive study of the equilibrium pair structure in fluids of nonoverlapping spheres interacting by a repulsive Yukawa-like pair potential, with special focus on suspensions of charged colloidal particles. The accuracy of several integral equation schemes for the static structure factor, S(q), and radial distribution function, g(r), is investigated in comparison to computer simulation results and static light scattering data on charge-stabilized silica spheres. In particular, we show that an improved version of the so-called penetrating-background corrected rescaled mean spherical approximation (PB-RMSA) by Snook and Hayter [Langmuir 8, 2880 (1992)], referred to as the modified PB-RMSA (MPB-RMSA), gives pair structure functions which are in general in very good agreement with Monte Carlo simulations and results from the accurate but nonanalytical and therefore computationally more expensive Rogers-Young integral equation scheme. The MPB-RMSA preserves the analytic simplicity of the standard rescaled mean spherical (RMSA) solution. The combination of high accuracy and fast evaluation makes the MPB-RMSA ideally suited for extensive parameter scans and experimental data evaluation, and for providing the static input to dynamic theories. We discuss the results of extensive parameter scans probing the concentration scaling of the pair structure of strongly correlated Yukawa particles, and we determine the liquid-solid coexistence line using the Hansen-Verlet freezing rule.

  2. First-flight escape from spheres with R(-2) density distribution. [particle flux from comets, stars and unconfined plasmas

    NASA Technical Reports Server (NTRS)

    Huebner, W. F.; Keady, J. J.

    1984-01-01

    Energy-independent first-flight transport kernels are evaluated for a spherical region with an R(-2) density distribution. The uncollided angular-flux distribution is obtained and integrated for a source distribution that is proportional to the density to give the uncollided emitted particle flux and current density. These are useful for the calculation of mass, energy, and momentum carried away by fast particles born in the medium. The data are relevant to estimate escape from weakly bound atmospheres such as comet comae, dilute circumstellar envelopes, and some unconfined laboratory plasmas.

  3. Simulating Hard Rigid Bodies

    E-print Network

    De Michele, Cristiano

    2009-01-01

    Several physical systems in condensed matter have been modeled approximating their constituent particles as hard objects. In fact, the hard spheres model has been one of the cornerstones of the computational and theoretical description in condensed matter. The next level of description is to consider particles as rigid objects of generic shape enriching enormously the possible phenomenology. This kind of modeling will be interesting in all the situations in which steric effect plays a relevant role. These include biology, soft matter, granular material and molecular systems. Nevertheless, except for the case of hard spheres systems, there are no general recipes for event-driven Molecular Dynamics simulations of hard rigid bodies. Two similar algorithms for calculating the distance between two convex hard rigid bodies and the contact time of two colliding hard rigid bodies solving non-linear set of equations will be described. Building on these two methods, an event-driven molecular dynamics algorithm for simu...

  4. Optical spectroscopy and density functional calculations of chromium(V)-doped YVO4 and YPO4: influence of the second coordination sphere.

    PubMed

    Hazenkamp, M F; Stückl, A C; Cavalli, E; Güdel, H U

    2000-01-24

    Low temperature polarized single-crystal absorption and luminescence spectra of Cr(V)-doped YVO4 and the powder luminescence spectrum of Cr(V)-doped YPO4 are reported and discussed. A rich fine structure and strong polarization effects are observed in the near-infrared. Due to a strong interaction of the Cr(V) ion with two Y3+ ions in the second coordination sphere of the Cr(V) ion, the electronic ground state is different from the one expected on the basis of an angular overlap calculation in which only the four oxygen ligands are taken into account. This effect of the Y3+ ions on the ground state of Cr(V) is confirmed by a density functional calculation and by literature EPR data. CrO4(3-) bending modes are responsible for the fine structure in the d-d transition and the resulting distortion in the emitting excited state. PMID:11272532

  5. Improved association in a classical density functional theory for water

    SciTech Connect

    Krebs, Eric J.; Schulte, Jeff B.; Roundy, David

    2014-03-28

    We present a modification to our recently published statistical associating fluid theory-based classical density functional theory for water. We have recently developed and tested a functional for the averaged radial distribution function at contact of the hard-sphere fluid that is dramatically more accurate at interfaces than earlier approximations. We now incorporate this improved functional into the association term of our free energy functional for water, improving its description of hydrogen bonding. We examine the effect of this improvement by studying two hard solutes (a hard hydrophobic rod and a hard sphere) and a Lennard-Jones approximation of a krypton atom solute. The improved functional leads to a moderate change in the density profile and a large decrease in the number of hydrogen bonds broken in the vicinity of the hard solutes. We find an improvement of the partial radial distribution for a krypton atom in water when compared with experiment.

  6. Improved association in a classical density functional theory for water.

    PubMed

    Krebs, Eric J; Schulte, Jeff B; Roundy, David

    2014-03-28

    We present a modification to our recently published statistical associating fluid theory-based classical density functional theory for water. We have recently developed and tested a functional for the averaged radial distribution function at contact of the hard-sphere fluid that is dramatically more accurate at interfaces than earlier approximations. We now incorporate this improved functional into the association term of our free energy functional for water, improving its description of hydrogen bonding. We examine the effect of this improvement by studying two hard solutes (a hard hydrophobic rod and a hard sphere) and a Lennard-Jones approximation of a krypton atom solute. The improved functional leads to a moderate change in the density profile and a large decrease in the number of hydrogen bonds broken in the vicinity of the hard solutes. We find an improvement of the partial radial distribution for a krypton atom in water when compared with experiment. PMID:24697459

  7. 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

    E-print Network

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

    2015-09-15

    When a liquid is cooled well below its melting temperature at a rate that exceeds the critical cooling rate $R_c$, the crystalline state is bypassed and an amorphous glassy state forms instead. $R_c$ (or the corresponding critical casting thickness $d_c$) characterizes the glass-forming ability (GFA) of each material. While silica is an excellent glass-former with small $R_cmetals and most alloys are poor glass-formers with large $R_c>10^{10}$ K/s. Only in the past thirty years have bulk metallic glasses (BMGs) been identified with $R_c$ approaching that for silica. Recent simulations have shown that 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 many other features of interatomic potentials beyond hard-core interactions. How do these other features affect the glass-forming ability of BMGs? 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.

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

    USGS Publications Warehouse

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

    1992-01-01

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

  9. 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.

  10. 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 thickness. PMID:26567672

  11. The importance of precision radar tracking data for the determination of density and winds from the high-altitude inflatable sphere

    NASA Technical Reports Server (NTRS)

    Schmidlin, F. J.; Michel, W. R.

    1985-01-01

    Analysis of inflatable sphere measurements obtained during the Energy Budget and MAP/WINE campaigns led to questions concerning the precision of the MPS-36 radar used for tracking the spheres; the compatibility of the sphere program with the MPS-36 radar tracking data; and the oversmoothing of derived parameters at high altitudes. Simulations, with winds having sinusoidal vertical wavelengths, were done with the sphere program (HIROBIN) to determine the resolving capability of various filters. It is concluded that given a precision radar and a perfectly performing sphere, the HIROBIN filters can be adjusted to provide small-scale perturbation information to 70 km (i.e., sinusoidal wavelengths of 2 km). It is recommended that the HIROBIN program be modified to enable it to use a variable length filter, that adjusts to fall velocity and accelerations to provide wind data with small perturbations.

  12. Electronic structure of C and N co-doped TiO{sub 2}: A combined hard x-ray photoemission spectroscopy and density functional theory study

    SciTech Connect

    Ruzybayev, Inci; Baik, Seung Su; Choi, Hyoung Joon; Rumaiz, Abdul K. Sterbinsky, G. E.; Woicik, J. C.; Ismat Shah, S.

    2014-12-01

    We have studied the electronic structure of C and N co-doped TiO{sub 2} using hard x-ray photoelectron spectroscopy and first-principles density functional theory calculations. Our results reveal overlap of the 2p states of O, N, and C in the system which shifts the valence band maximum towards the Fermi level. Combined with optical data we show that co-doping is an effective route for band gap reduction in TiO{sub 2}. Comparison of the measured valence band with theoretical photoemission density of states reveals the possibility of C on Ti and N on O site.

  13. The water entry of decelerating spheres Jeffrey M. Aristoff,1

    E-print Network

    Bush, John W.M.

    The water entry of decelerating spheres Jeffrey M. Aristoff,1 Tadd T. Truscott,2 Alexandra H-density spheres on a water surface. Particular attention is given to characterizing the sphere dynamics to rationalize the form of water-entry cavities resulting from the impact of buoyant and nearly buoyant spheres

  14. Hard body amphiphiles at a hard wall JOSEPH M. BRADER1y

    E-print Network

    Schmidt, Matthias

    Hard body amphiphiles at a hard wall JOSEPH M. BRADER1y , CHRISTIAN VON FERBER2 and MATTHIAS 2003) We investigate the structure of amphiphilic molecules exposed to a substrate that is modelled by a hard wall. Our simple model amphiphiles consist of a hard sphere head group to which a vanishingly thin

  15. 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…

  16. Understanding the electronic structure of IrO2 using hard-X-ray photoelectron spectroscopy and density-functional theory.

    PubMed

    Kahk, J M; Poll, C G; Oropeza, F E; Ablett, J M; Céolin, D; Rueff, J-P; Agrestini, S; Utsumi, Y; Tsuei, K D; Liao, Y F; Borgatti, F; Panaccione, G; Regoutz, A; Egdell, R G; Morgan, B J; Scanlon, D O; Payne, D J

    2014-03-21

    The electronic structure of IrO2 has been investigated using hard x-ray photoelectron spectroscopy and density-functional theory. Excellent agreement is observed between theory and experiment. We show that the electronic structure of IrO2 involves crystal field splitting of the iridium 5d orbitals in a distorted octahedral field. The behavior of IrO2 closely follows the theoretical predictions of Goodenough for conductive rutile-structured oxides [J. B. Goodenough, J. Solid State Chem. 3, 490 (1971). PMID:24702416

  17. 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.

  18. Generating perfect fluid spheres in general relativity

    E-print Network

    Petarpa Boonserm; Matt Visser; Silke Weinfurtner

    2005-03-02

    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.

  19. Generating perfect fluid spheres in general relativity

    E-print Network

    Boonserm, P; Weinfurtner, S; Boonserm, Petarpa; Visser, Matt; Weinfurtner, Silke

    2005-01-01

    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.

  20. Enumerating rigid sphere packings

    E-print Network

    Miranda C. Holmes-Cerfon

    2015-05-08

    Packing problems, which ask how to arrange a collection of objects in space to meet certain criteria, are important in a great many physical and biological systems, where geometrical arrangements at small scales control behaviour at larger ones. In many systems there is no single, optimal packing that dominates, but rather one must understand the entire set of possible packings. As a step in this direction we enumerate rigid clusters of identical hard spheres for $n\\leq 14$, and clusters with the maximum number of contacts for $n\\leq 19$. A rigid cluster is one that cannot be continuously deformed while maintaining all contacts. This is a nonlinear notion that arises naturally because such clusters are the metastable states when the spheres interact with a short-range potential, as is the case in many nano- or micro-scale systems. We expect these lists are nearly complete, except for a small number of highly singular clusters (linearly floppy but nonlinearly rigid.) The data contains some major geometrical surprises, such as the prevalence of hypostatic clusters: those with less than the $3n-6$ contacts generically necessary for rigidity. We discuss these and several other unusual clusters, whose geometries may shed insight into physical mechanisms, pose mathematical and computational problems, or bring inspiration for designing new materials.

  1. Fabrication and application of inorganic hollow spheres.

    PubMed

    Hu, Jing; Chen, Min; Fang, Xiaosheng; Wu, Limin

    2011-11-01

    Inorganic hollow spheres have attracted considerable interest due to their singular properties and wide range of potential applications. In this critical review, we provide a comprehensive overview of the preparation and applications of inorganic hollow spheres. We first discuss the syntheses of inorganic hollow spheres by use of polymers, inorganic nonmetals, metal-based hard templates, small-molecule emulsion, surfactant micelle-based soft-templates, and the template-free approach. For each method, a critical comment is given based on our knowledge and related research experience. We go on to discuss some important applications of inorganic hollow spheres in 0D, 2D, and 3D arrays. We conclude this review with some perspectives on the future research and development of inorganic hollow spheres (235 references). PMID:21799974

  2. Calculations of free energies in liquid and solid phases: Fundamental measure density-functional approach

    E-print Network

    Song, Xueyu

    Calculations of free energies in liquid and solid phases: Fundamental measure density, a theoretical description of the free energies and correlation functions of hard-sphere (HS) liquid and solid-Chandler-Andersen perturbation theory, free energies of liquid and solid phases with many interaction potentials can be obtained

  3. 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

  4. 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.

  5. Understanding the Electronic Structure of IrO2 Using Hard-X-ray Photoelectron Spectroscopy and Density-Functional Theory

    NASA Astrophysics Data System (ADS)

    Kahk, J. M.; Poll, C. G.; Oropeza, F. E.; Ablett, J. M.; Céolin, D.; Rueff, J.-P.; Agrestini, S.; Utsumi, Y.; Tsuei, K. D.; Liao, Y. F.; Borgatti, F.; Panaccione, G.; Regoutz, A.; Egdell, R. G.; Morgan, B. J.; Scanlon, D. O.; Payne, D. J.

    2014-03-01

    The electronic structure of IrO2 has been investigated using hard x-ray photoelectron spectroscopy and density-functional theory. Excellent agreement is observed between theory and experiment. We show that the electronic structure of IrO2 involves crystal field splitting of the iridium 5d orbitals in a distorted octahedral field. The behavior of IrO2 closely follows the theoretical predictions of Goodenough for conductive rutile-structured oxides [J. B. Goodenough, J. Solid State Chem. 3, 490 (1971)]. Strong satellites associated with the core lines are ascribed to final state screening effects. A simple plasmon model for the satellites applicable to many other metallic oxides appears to be not valid for IrO2.

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

    PubMed

    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. PMID:26671389

  7. 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

  8. Transfer-matrix study of a hard-square lattice gas with two kinds of particles and density anomaly.

    PubMed

    Oliveira, Tiago J; Stilck, Jürgen F

    2015-09-01

    Using transfer matrix and finite-size scaling methods, we study the thermodynamic behavior of a lattice gas with two kinds of particles on the square lattice. Only excluded volume interactions are considered, so that the model is athermal. Large particles exclude the site they occupy and its four first neighbors, while small particles exclude only their site. Two thermodynamic phases are found: a disordered phase where large particles occupy both sublattices with the same probability and an ordered phase where one of the two sublattices is preferentially occupied by them. The transition between these phases is continuous at small concentrations of the small particles and discontinuous at larger concentrations, both transitions are separated by a tricritical point. Estimates of the central charge suggest that the critical line is in the Ising universality class, while the tricritical point has tricritical Ising (Blume-Emery-Griffiths) exponents. The isobaric curves of the total density as functions of the fugacity of small or large particles display a minimum in the disordered phase. PMID:26465420

  9. Transfer-matrix study of a hard-square lattice gas with two kinds of particles and density anomaly

    NASA Astrophysics Data System (ADS)

    Oliveira, Tiago J.; Stilck, Jürgen F.

    2015-09-01

    Using transfer matrix and finite-size scaling methods, we study the thermodynamic behavior of a lattice gas with two kinds of particles on the square lattice. Only excluded volume interactions are considered, so that the model is athermal. Large particles exclude the site they occupy and its four first neighbors, while small particles exclude only their site. Two thermodynamic phases are found: a disordered phase where large particles occupy both sublattices with the same probability and an ordered phase where one of the two sublattices is preferentially occupied by them. The transition between these phases is continuous at small concentrations of the small particles and discontinuous at larger concentrations, both transitions are separated by a tricritical point. Estimates of the central charge suggest that the critical line is in the Ising universality class, while the tricritical point has tricritical Ising (Blume-Emery-Griffiths) exponents. The isobaric curves of the total density as functions of the fugacity of small or large particles display a minimum in the disordered phase.

  10. Equilibrium and nonequilibrium dynamics of soft sphere fluids.

    PubMed

    Ding, Yajun; Mittal, Jeetain

    2015-07-14

    We use computer simulations to test the freezing-point scaling relationship between equilibrium transport coefficients (self-diffusivity, viscosity) and thermodynamic parameters for soft sphere fluids. The fluid particles interact via the inverse-power potential (IPP), and the particle softness is changed by modifying the exponent of the distance-dependent potential term. In the case of IPP fluids, density and temperature are not independent variables and can be combined to obtain a coupling parameter to define the thermodynamic state of the system. We find that the rescaled coupling parameter, based on its value at the freezing point, can approximately collapse the diffusivity and viscosity data for IPP fluids over a wide range of particle softness. Even though the collapse is far from perfect, the freezing-point scaling relationship provides a convenient and effective way to compare the structure and dynamics of fluid systems with different particle softness. We further show that an alternate scaling relationship based on two-body excess entropy can provide an almost perfect collapse of the diffusivity and viscosity data below the freezing transition. Next, we perform nonequilibrium molecular dynamics simulations to calculate the shear-dependent viscosity and to identify the distinct role of particle softness in underlying structural changes associated with rheological properties. Qualitatively, we find a similar shear-thinning behavior for IPP fluids with different particle softness, though softer particles exhibit stronger shear-thinning tendency. By investigating the distance and angle-dependent pair correlation functions in these systems, we find different structural features in the case of IPP fluids with hard-sphere like and softer particle interactions. Interestingly, shear-thinning in hard-sphere like fluids is accompanied by enhanced translational order, whereas softer fluids exhibit loss of order with shear. Our results provide a systematic evaluation of the role of particle softness in equilibrium and nonequilibrium transport properties and their underlying connection with thermodynamic and structural properties. PMID:26052921

  11. Materials science Nanotubes get hard

    E-print Network

    Downs, Robert T.

    Materials science Nanotubes get hard under pressure Proc. Natl Acad. Sci. USA doi:10.1073/pnas something so hard that it cracked the diamond teeth of the apparatus. But they hadn't simply turned-pressure phase of carbon, with a density, hardness and bulk modulus (the inverse of compressibility) at least

  12. 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...

  13. Celestial Sphere Spectroscopy

    E-print Network

    Peletier, Reynier

    ) Grading: Four Problem Sets (16%), Four Lab Assignments (16%), Telescope Operation ­ Spectrograph (pass; Seasons and Sun Motions; The Celestial Sphere The Celestial Sphere "We will be able to calculate when

  14. 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.

  15. Measurement theory of a density profile of small colloids around a large colloid: Conversion of force between two-large spheres into pressure on the surface element

    E-print Network

    Amano, Ken-ichi; Sawazumi, Ryosuke

    2015-01-01

    We suggest a transform theory for calculating a density distribution of small colloids around a large colloid from a force curve between the two-large colloids. The main idea (calculation process) is that the force curve between the two-large colloids is converted into the pressure on the surface element of the large colloid. This conversion is different from the celebrated Derjaguin approximation. A numerical matrix calculation is performed in the conversion to calculate it more precisely. Subsequently, the pressure on the surface element is transformed into the density distribution of the small colloids around the large colloid by using a transform theory for surface force apparatus proposed by Amano. In this letter, the whole process of the transformation is explained in detail.

  16. Density functional theory calculations on the active site of biotin synthase: mechanism of S transfer from the Fe2S2 cluster and the role of 1st and 2nd sphere residues.

    PubMed

    Rana, Atanu; Dey, Subal; Agrawal, Amita; Dey, Abhishek

    2015-10-01

    Density functional theory (DFT) calculations are performed on the active site of biotin synthase (BS) to investigate the sulfur transfer from the Fe2S2 cluster to dethiobiotin (DTB). The active site is modeled to include both the 1st and 2nd sphere residues. Molecular orbital theory considerations and calculation on smaller models indicate that only an S atom (not S(2-)) transfer from an oxidized Fe2S2 cluster leads to the formation of biotin from the DTB using two adenosyl radicals generated from S-adenosyl-L-methionine. The calculations on larger protein active site model indicate that a 9-monothiobiotin bound reduced cluster should be an intermediate during the S atom insertion from the Fe2S2 cluster consistent with experimental data. The Arg260 bound to Fe1, being a weaker donor than cysteine bound to Fe2, determines the geometry and the electronic structure of this intermediate. The formation of this intermediate containing the C9-S bond is estimated to have a ?G(?) of 17.1 kcal/mol while its decay by the formation of the 2nd C6-S bond is calculated to have a ?G(?) of 29.8 kcal/mol, i.e. the 2nd C-S bond formation is calculated to be the rate determining step in the cycle and it leads to the decay of the Fe2S2 cluster. Significant configuration interaction (CI), present in these transition states, helps lower the barrier of these reactions by ~30-25 kcal/mol relative to a hypothetical outer-sphere reaction. The conserved Phe285 residue near the Fe2S2 active site determines the stereo selectivity at the C6 center of this radical coupling reaction. Reaction mechanism of BS investigated using DFT calculations. Strong CI and the Phe285 residue control the kinetic rate and stereochemistry of the product. PMID:26369537

  17. Density functional theory for carbon dioxide crystal

    SciTech Connect

    Chang, Yiwen; Mi, Jianguo Zhong, Chongli

    2014-05-28

    We present a density functional approach to describe the solid?liquid phase transition, interfacial and crystal structure, and properties of polyatomic CO{sub 2}. Unlike previous phase field crystal model or density functional theory, which are derived from the second order direct correlation function, the present density functional approach is based on the fundamental measure theory for hard-sphere repulsion in solid. More importantly, the contributions of enthalpic interactions due to the dispersive attractions and of entropic interactions arising from the molecular architecture are integrated in the density functional model. Using the theoretical model, the predicted liquid and solid densities of CO{sub 2} at equilibrium triple point are in good agreement with the experimental values. Based on the structure of crystal-liquid interfaces in different planes, the corresponding interfacial tensions are predicted. Their respective accuracies need to be tested.

  18. Lorentzian Fuzzy Spheres

    E-print Network

    Chaney, A; Stern, A

    2015-01-01

    We show that fuzzy spheres are solutions of ${\\it Lorentzian}$ IKKT matrix models. 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. The fuzzy sphere solutions serve as toy models of closed noncommutative cosmologies where big bang/crunch singularities appear only after taking the commutative limit. 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.

  19. Disordered jammed packings of frictionless spheres

    E-print Network

    Massimo Pica Ciamarra; Antonio Coniglio; Antonio de Candia

    2010-10-05

    At low volume fraction, disordered arrangements of frictionless spheres are found in un--jammed states unable to support applied stresses, while at high volume fraction they are found in jammed states with mechanical strength. Here we show, focusing on the hard sphere zero pressure limit, that the transition between un-jammed and jammed states does not occur at a single value of the volume fraction, but in a whole volume fraction range. This result is obtained via the direct numerical construction of disordered jammed states with a volume fraction varying between two limits, $0.636$ and $0.646$. We identify these limits with the random loose packing volume fraction $\\rl$ and the random close packing volume fraction $\\rc$ of frictionless spheres, respectively.

  20. 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

  1. 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.

  2. 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…

  3. Harmonic spheres conjecture

    NASA Astrophysics Data System (ADS)

    Sergeev, A. G.

    2010-09-01

    We discuss the harmonic spheres conjecture that the space of harmonic maps of the Riemann sphere into the loop space of a compact Lie group G are related to the moduli space of Yang-Mills G-fields on the four-dimensional Euclidean space.

  4. Density profiles of a colloidal liquid at a wall under shear flow

    E-print Network

    J. M. Brader; M. Krüger

    2010-10-13

    Using a dynamical density functional theory we analyze the density profile of a colloidal liquid near a wall under shear flow. Due to the symmetries of the system considered, the naive application of dynamical density functional theory does not lead to a shear induced modification of the equilibrium density profile, which would be expected on physical grounds. By introducing a physically motivated dynamic mean field correction we incorporate the missing shear induced interparticle forces into the theory. We find that the shear flow tends to enhance the oscillations in the density profile of hard-spheres at a hard-wall and, at sufficiently high shear rates, induces a nonequilibrium transition to a steady state characterized by planes of particles parallel to the wall. Under gravity, we find that the center-of-mass of the density distribution increases with shear rate, i.e., shear increases the potential energy of the particles.

  5. 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.

  6. Rubber rolling over a sphere

    NASA Astrophysics Data System (ADS)

    Koiller, J.; Ehlers, K.

    2007-04-01

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

  7. Solvation force between tethered polyelectrolyte layers. A density functional approach

    E-print Network

    O. Pizio; A. Patrykiejew; S. Soko?owski; J. M. Ilnytskyi

    2012-10-08

    We use a version of the density functional theory to study the solvation force between two plates modified with a tethered layer of chains. The chains are built of tangentially jointed charged spherical segments. The plates are immersed in an electrolyte solution that involves cations, anions and solvent molecules. The latter molecules are modelled as hard spheres. We study the dependence of the solvation force and the structure of chains and of solute molecules on the grafting density, length of chains, architecture of the chains and on concentration of the solute.

  8. 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. XXXX

  9. MAGNETISM AND EFFECTIVE ELECTROMAGNETIC PARAMETERS FROM DIELECTRIC SPHERES

    E-print Network

    Mojahedi, Mohammad

    MAGNETISM AND EFFECTIVE ELECTROMAGNETIC PARAMETERS FROM DIELECTRIC SPHERES Mark S. Wheeler, J.wheeler@utoronto.ca ABSTRACT The effective electric and magnetic properties are found for a material composed of non-magnetic, composition, size, and volume density of the spheres. A fundamental resonant magnetic response is found when

  10. Can two spheres swim?

    E-print Network

    Klotsa, Daphne; Hill, Richard J A; Bowley, Roger M; Swift, Michael R

    2015-01-01

    We describe experiments and simulations demonstrating the propulsion of a neutrally-buoyant swimmer that consists of a pair of spheres attached by a spring, placed 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. The mechanism for swimming is traced to a jet of fluid generated by the relative motion of the spheres.

  11. Can two spheres swim?

    E-print Network

    Daphne Klotsa; Kyle A. Baldwin; Richard J. A. Hill; Roger M. Bowley; Michael R. Swift

    2015-01-21

    We describe experiments and simulations demonstrating the propulsion of a neutrally-buoyant swimmer that consists of a pair of spheres attached by a spring, placed 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. The mechanism for swimming is traced to a jet of fluid generated by the relative motion of the spheres.

  12. 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.

  13. Massive fluid spheres in general relativity

    SciTech Connect

    Pant, D.N.; Sah, A.

    1985-09-15

    We present a class of nonsingular analytic solutions of the general-relativistic field equations in isotropic form for a static spherically symmetric material distribution. Within a sphere the outward variation of pressure, density, pressure-density ratio, and the adiabatic sound speed is monotonic decreasing. The solution has been used to construct causal models for neutron stars with a maximum mass roughly-equal4M/sub c/irdot where we have assumed a surface density equivalent to the typical terrestrial nuclear density.

  14. Amphiphilic hard body mixtures Matthias Schmidt and Christian von Ferber

    E-print Network

    Schmidt, Matthias

    Amphiphilic hard body mixtures Matthias Schmidt and Christian von Ferber Institut fu¨r Theoretische Received 16 June 2001; published 29 October 2001 In order to study ternary amphiphilic mixtures, we and amphiphilic particles, where the hydrophilic head is modeled as a hard sphere and the hydrophobic tail

  15. Freezing of parallel hard cubes with rounded edges

    E-print Network

    Matthieu Marechal; Urs Zimmermann; Hartmut Löwen

    2012-02-09

    The freezing transition in a classical three-dimensional system of parallel hard cubes with rounded edges is studied by computer simulation and fundamental-measure density functional theory. By switching the rounding parameter s from zero to one, one can smoothly interpolate between cubes with sharp edges and hard spheres. The equilibrium phase diagram of rounded parallel hard cubes is computed as a function of their volume fraction and the rounding parameter s. The second order freezing transition known for oriented cubes at s = 0 is found to be persistent up to s = 0.65. The fluid freezes into a simple-cubic crystal which exhibits a large vacancy concentration. Upon a further increase of s, the continuous freezing is replaced by a first-order transition into either a sheared simple cubic lattice or a deformed face-centered cubic lattice with two possible unit cells: body-centered orthorhombic or base-centered monoclinic. In principle, a system of parallel cubes could be realized in experiments on colloids using advanced synthesis techniques and a combination of external fields.

  16. Local pressure of confined fluids inside nanoslit pores -- A density functional theory prediction

    E-print Network

    F. Heidari; G. A. Mansoori; E. Keshavarzi

    2013-07-18

    In this work, the local pressure of fluids confined inside nanoslit pores is predicted within the framework of the density functional theory. The Euler-Lagrange equation in the density functional theory of statistical mechanics is used to obtain the force balance equation which leads to a general equation to predict the local normal component of the pressure tensor. Our approach yields a general equation for predicting the normal pressure of confined fluids and it satisfies the exact bulk thermodynamics equation when the pore width approaches infinity. As two basic examples, we report the solution of the general equation for hard-sphere (HS) and Lennard-Jones (LJ) fluids confined between two parallel-structureless hard walls. To do so, we use the modified fundamental measure theory (mFMT) to obtain the normal pressure for hard-sphere confined fluid and mFMT incorporated with the Rosenfeld perturbative DFT for the LJ fluid. Effects of different variables including pore width, bulk density and temperature on the behavior of normal pressure are studied and reported. Our predicted results show that in both HS and LJ cases the confined fluids normal pressure has an oscillatory behavior and the number of oscillations increases with bulk density and temperature. The oscillations also become broad and smooth with pore width at a constant temperature and bulk density. In comparison with the HS confined fluid, the values of normal pressure for the LJ confined fluid as well as its oscillations at all distances from the walls are less profound.

  17. Gearing up the SPHERE

    NASA Astrophysics Data System (ADS)

    Kasper, M.; Beuzit, J.-L.; Feldt, M.; Dohlen, K.; Mouillet, D.; Puget, P.; Wildi, F.; Abe, L.; Baruffolo, A.; Baudoz, P.; Bazzon, A.; Boccaletti, A.; Brast, R.; Buey, T.; Chesneau, O.; Claudi, R.; Costille, A.; Delboulbé, A.; Desidera, S.; Dominik, C.; Dorn, R.; Downing, M.; Feautrier, P.; Fedrigo, E.; Fusco, T.; Girard, J.; Giro, E.; Gluck, L.; Gonte, F.; Gojak, D.; Gratton, R.; Henning, T.; Hubin, N.; Lagrange, A.-M.; Langlois, M.; Mignant, D. L.; Lizon, J.-L.; Lilley, P.; Madec, F.; Magnard, Y.; Martinez, P.; Mawet, D.; Mesa, D.; Müller-Nilsson, O.; Moulin, T.; Moutou, C.; O'Neal, J.; Pavlov, A.; Perret, D.; Petit, C.; Popovic, D.; Pragt, J.; Rabou, P.; Rochat, S.; Roelfsema, R.; Salasnich, B.; Sauvage, J.-F.; Schmid, H. M.; Schuhler, N.; Sevin, A.; Siebenmorgen, R.; Soenke, C.; Stadler, E.; Suarez, M.; Turatto, M.; Udry, S.; Vigan, A.; Zins, G.

    2012-09-01

    Direct imaging and spectral characterisation of exoplanets is one of the most exciting, but also one of the most challenging areas, in modern astronomy. The challenge is to overcome the very large contrast between the host star and its planet seen at very small angular separations. This article reports on the progress made in the construction of the second generation VLT instrument SPHERE, the Spectro-Polarimetric High-contrast Exoplanet REsearch instrument. SPHERE is expected to be commissioned on the VLT in 2013.

  18. Densities of tetramethylsilane, tetraethylsilane, and tetraethoxysilane under high pressures

    NASA Astrophysics Data System (ADS)

    Yokoyama, C.; Takagi, T.; Takahashi, S.

    1990-05-01

    Accurate density data for tetramethylsilane, tetraethylsilane, and tetraethoxysilane in the temperature range from 283.15 to 333.15 K under pressure up to 100 MPa have been measured in order to test existing correlation methods. We have also measured the saturated liquid densities of tetramethylsilane, tetraethylsilane, and tetraethoxysilane in the temperature range from 283 to 343 K. The modified Rackett equation and the COSTAD correlation were used to correlate the saturated liquid density data. The Tait equation and a modified van der Waals equation of state were used to correlate the liquid density data under pressure. It was found that the average absolute deviations of the experimental values from those calculated with the Tait equation and the modified van der Waals equation of state were less than 0.01 and 0.21%, respectively. The effective hard sphere diameters for these three silane compounds were determined from the modified van der Waals equation of state parameter. It was found that the effective hard-sphere diameter decreases with temperature.

  19. Self diffusion of reversibly aggregating spheres

    E-print Network

    Sujin Babu; Jean Christophe Gimel; Taco Nicolai

    2007-05-10

    Reversible diffusion limited cluster aggregation of hard spheres with rigid bonds was simulated and the self diffusion coefficient was determined for equilibrated systems. The effect of increasing attraction strength was determined for systems at different volume fractions and different interaction ranges. It was found that the slowing down of the diffusion coefficient due to crowding is decoupled from that due to cluster formation. The diffusion coefficient could be calculated from the cluster size distribution and became zero only at infinite attraction strength when permanent gels are formed. It is concluded that so-called attractive glasses are not formed at finite interaction strength.

  20. Hard metal composition

    DOEpatents

    Sheinberg, Haskell (Los Alamos, NM)

    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.

  1. 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.

  2. Studying Density VS Ar-pressures for optimization of DC-magnetron sputter deposition of Ni/C multilayers for hard x-ray telescopes

    NASA Astrophysics Data System (ADS)

    Hussain, Ahsen M.; Romaine, Suzanne E.; Gorenstein, Paul; Everett, J.; Bruni, Ricardo J.; Clark, Anna M.; Ruane, Michael F.; Fedyunin, Y.

    1997-07-01

    The influence of varying the Ar-pressure in the process of depositing Ni/C multilayers by dc-magnetron sputtering has been studied, and atomic force microscopy (AFM) measurements, x-ray characterization results and transmission electron microscopy (TEM) results are presented. Single Ni and C films and Ni/C multilayers were deposited at Ar-pressures of 1.5, 3, 5 and 7 mTorr. The one-dimensional power spectral density data from the AFM measurements clearly indicate that the best densities and thin film qualities for both materials are obtained at lower Ar-pressure, i.e. 1.5 mTorr.

  3. 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.

  4. Supporting Information Even Hard Sphere Colloidal Suspensions Display

    E-print Network

    Granick, Steve

    time, and =0.05 s. A slight anti-correlation at 0.1 s quickly decays to 0. The anti), =0.45 (red), =0.55 (blue). (Inset) a magnified view of the anti-correlation region. #12;Figure S2 as in Figure S1. Figure S3. No aging or change of mobility was observed for the sample at =0.55. This sample

  5. Kinetic Theory and Hydrodynamics for a Low Density Gas

    E-print Network

    James W. Dufty

    2001-09-12

    Many features of real granular fluids under rapid flow are exhibited as well by a system of smooth hard spheres with inelastic collisions. For such a system, it is tempting to apply standard methods of kinetic theory and hydrodynamics to calculate properties of interest. The domain of validity for such methods is a priori uncertain due to the inelasticity, but recent systematic studies continue to support the utility of kinetic theory and hydrodynamics as both qualitative and quantitative descriptions for many physical states. The basis for kinetic theory and hydrodynamic descriptions is discussed briefly for the special case of a low density gas.

  6. Dynamics of an aspherical bubble oscillating near a rigid sphere

    NASA Astrophysics Data System (ADS)

    Kurihara, Eru; Fujino, Kuninori; Hamakawa, Hiromitsu

    2015-10-01

    Behavior of a non-spherical bubble oscillating near a rigid sphere was investigated in the framework of the Lagrangian formalism and multipole expansion of the bubble boundary. In this study, shape oscillations of the bubble are taken into account up to the third oscillation mode (octupole mode) to illustrate the liquid jet formation on the bubble surface. To account for interaction between the bubble and the rigid sphere, corrections of the velocity potential in a liquid containing the bubble and the sphere will be considered up to terms of fifth order in the inverse separation distance. Derived equations describes typical bubble behavior such as volume oscillations, translation, and shape oscillations. This paper presents the motion of the bubble in the vicinity of the rigid sphere by using numerical computations of the equations. In particular, it is discussed that the dependencies of bubble behavior on the density and radius of the sphere.

  7. Baby skyrmions on the sphere

    E-print Network

    Scoccola, N N

    1998-01-01

    We study a model for two-dimensional skyrmions on a sphere of radius L. Such model simulates a skyrmion lattice of density W/(2 \\pi L^2), where W is the skyrmion winding number. We show that, to a very good approximation, physical results depend only on the product \\alpha L^4, where \\alpha is the strength of potential term. In the range \\alpha L^4 approx. or less than 3 the order parameter vanishes, there is a uniform distribution of the density over the whole surface and the energy of the W=2 sector lies above twice the energy of the W=1 sector. If \\alpha L^4 approx. or greater than 6 the order parameter approaches unity and the density concentrates near one of the poles. Moreover the disoliton is always bound. We also present a variational solution to the field equations for which the pure \\alpha L^4-dependence is exact. Finally, some consequences of our results for the Quantum Hall Effect are discussed.

  8. 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.

  9. Forming MOFs into spheres by use of molecular gastronomy methods.

    PubMed

    Spjelkavik, Aud I; Aarti; Divekar, Swapnil; Didriksen, Terje; Blom, Richard

    2014-07-14

    A novel method utilizing hydrocolloids to prepare nicely shaped spheres of metal-organic frameworks (MOFs) has been developed. Microcrystalline CPO-27-Ni particles are dispersed in either alginate or chitosan solutions, which are added dropwise to solutions containing, respectively, either divalent group 2 cations or base that act as gelling agents. Well-shaped spheres are immediately formed, which can be dried into spheres containing mainly MOF (>95?wt?%). The spheronizing procedures have been optimized with respect to maximum specific surface area, shape, and particle density of the final sphere. At optimal conditions, well-shaped 2.5-3.5?mm diameter CPO-27-Ni spheres with weight-specific surface areas <10?% lower than the nonformulated CPO-27-Ni precursor, and having sphere densities in the range 0.8 to 0.9?g?cm(-3) and particle crushing strengths above 20?N, can be obtained. The spheres are well suited for use in fixed-bed catalytic or adsorption processes. PMID:24964774

  10. Relativistically spinning charged sphere

    SciTech Connect

    Lynden-Bell, D.

    2004-11-15

    When the equatorial spin velocity v of a charged conducting sphere approaches c, the Lorentz force causes a remarkable rearrangement of the total charge q. Charge of that sign is confined to a narrow equatorial belt at latitudes b{<=}{radical}(3)(1-v{sup 2}/c{sup 2}){sup 1/2} while charge of the opposite sign occupies most of the sphere's surface. The change in field structure is shown to be a growing contribution of the 'magic' electromagnetic field of the charged Kerr-Newman black hole with Newton's G set to zero. The total charge within the narrow equatorial belt grows as (1-v{sup 2}/c{sup 2}){sup -(1/4)} and tends to infinity as v approaches c. The electromagnetic field, Poynting vector, field angular momentum, and field energy are calculated for these configurations. Gyromagnetic ratio, g factor, and electromagnetic mass are illustrated in terms of a 19th century electron model. Classical models with no spin had the small classical electron radius e{sup 2}/mc{sup 2}{approx} a hundredth of the Compton wavelength, but models with spin take that larger size but are so relativistically concentrated to the equator that most of their mass is electromagnetic. The method of images at inverse points of the sphere is shown to extend to charges at points with imaginary coordinates.

  11. High pressure gas spheres for neutron and photon experiments

    NASA Astrophysics Data System (ADS)

    Rupp, G.; Petrich, D.; Käppeler, F.; Kaltenbaek, J.; Leugers, B.; Reifarth, R.

    2009-09-01

    High pressure gas spheres have been designed and successfully used in several nuclear physics experiments on noble gases. The pros and cons of this solution are the simple design and the high reliability versus the fact that the density is limited to 40-60% of liquid or solid gas samples. Originally produced for neutron capture studies at keV energies, the comparably small mass of the gas spheres were an important advantage, which turned out to be of relevance for other applications as well. The construction, performance, and operation of the spheres are described and examples for their use are presented.

  12. Molecular-Scale Density Oscillations in Water Adjacent to a Mica Surface

    SciTech Connect

    Cheng, L.; Fenter, P.; Nagy, K. L.; Schlegel, M. L.; Sturchio, N. C.

    2001-10-08

    High-resolution specular x-ray reflectivity of the mica(001)-water interface under ambient conditions reveals oscillations in water oxygen density in the surface-normal direction, giving evidence of interfacial water ordering. The spacings between neighboring water layers in the near-surface, strongly oscillatory region are 2.5(2)--2.7(2){angstrom}, approximately the size of the water molecule. The density oscillations extend to about 10{angstrom} above the surface and do not strictly maintain a solvent-size periodicity as that in interfacial liquid metal and hard-sphere molecular liquids. We interpret this oscillatory density profile of the interfacial water as due to the ''hard-wall'' effect of the molecularly smooth mica surface.

  13. Determination of meteor flux distribution over the celestial sphere

    NASA Technical Reports Server (NTRS)

    Andreev, V. V.; Belkovich, O. I.; Filimonova, T. K.; Sidorov, V. V.

    1992-01-01

    A new method of determination of meteor flux density distribution over the celestial sphere is discussed. The flux density was derived from observations by radar together with measurements of angles of arrival of radio waves reflected from meteor trails. The role of small meteor showers over the sporadic background is shown.

  14. 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.

  15. SPHERE Science Verification

    NASA Astrophysics Data System (ADS)

    Leibundgut, B.; Beuzit, J.-L.; Gibson, N.; Girard, J.; Kasper, M.; Kerber, F.; Lundin, L.; Mawet, D.; McClure, M.; Milli, J.; Petr-Gotzens, M.; Siebenmorgen, R.; van den Ancker, M.; Wahhaj, Z.

    2015-03-01

    Science Verification (SV) for the latest instrument to arrive on Paranal, the high-contrast and spectro-polarimetric extreme adaptive optics instrument SPHERE, is described. The process through which the SV proposals were solicited and evaluated is briefly outlined; the resulting observations took place in December 2014 and February 2015. A wide range of targets was observed, ranging from the Solar System, young stars with planets and discs, circumstellar environments of evolved stars to a galaxy nucleus. Some of the first results are previewed.

  16. Magnetic spheres in microwave cavities

    NASA Astrophysics Data System (ADS)

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

    2015-06-01

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

  17. Science on a Sphere exhibit

    NASA Technical Reports Server (NTRS)

    2009-01-01

    Students from Xavier University Preparatory School in New Orleans view the newest exhibit at StenniSphere, the visitor center at NASA's John C. Stennis Space Center - Science on a Sphere, a 68-inch global presentation of planetary data. StenniSphere is only the third NASA visitor center to offer the computer system, which uses four projectors to display data on a globe and present a dynamic, revolving, animated view of Earth and other planets.

  18. Density in a Bottle.

    ERIC Educational Resources Information Center

    Roser, Charles E.; McCluskey, Catherine L.

    1998-01-01

    Explains how the Canadian soft drink Orbitz can be used for explorations of density in the classroom. The drink has colored spheres suspended throughout that have a density close to that of the liquid. Presents a hands-on activity that can be easily done in two parts. (DDR)

  19. Low Velocity Sphere Impact of a Soda Lime Silicate Glass

    SciTech Connect

    Wereszczak, Andrew A; Fox, Ethan E; Morrissey, Timothy G; Vuono, Daniel J

    2011-10-01

    This report summarizes TARDEC-sponsored work at Oak Ridge National Laboratory (ORNL) during the FY11 involving low velocity (< 30 m/s or < 65 mph) ball impact testing of Starphire soda lime silicate glass. The intent was to better understand low velocity impact response in the Starphire for sphere densities that bracketed that of rock. Five sphere materials were used: borosilicate glass, soda-lime silicate glass, steel, silicon nitride, and alumina. A gas gun was fabricated to produce controlled velocity delivery of the spheres against Starphire tile targets. Minimum impact velocities to initiate fracture in the Starphire were measured and interpreted in context to the kinetic energy of impact and the elastic property mismatch between the any of the five sphere-Starphire-target combinations. The primary observations from this low velocity (< 30 m/s or < 65 mph) testing were: (1) Frictional effects contribute to fracture initiation. (2) Spheres with a lower elastic modulus require less force to initiate fracture in the Starphire than spheres with a higher elastic modulus. (3) Contact-induced fracture did not initiate in the Starphire SLS for impact kinetic energies < 150 mJ. Fracture sometimes initiated or kinetic energies between {approx} 150-1100 mJ; however, it tended to occur when lower elastic modulus spheres were impacting it. Contact-induced fracture would always occur for impact energies > 1100 mJ. (4) The force necessary to initiate contact-induced fracture is higher under dynamic or impact conditions than it is under quasi-static indentation conditions. (5) Among the five used sphere materials, silicon nitride was the closest match to 'rock' in terms of both density and (probably) elastic modulus.

  20. Sphere Rényi entropies

    NASA Astrophysics Data System (ADS)

    Dowker, J. S.

    2013-06-01

    I give some scalar field theory calculations on a d-dimensional lune of arbitrary angle, evaluating, numerically, the effective action which is expressed as a simple quadrature, for conformal coupling. Using this, the entanglement and Rényi entropies are computed. Massive fields are also considered and a renormalization to make the (one-loop) effective action vanish for infinite mass is suggested and used, not entirely successfully. However a universal coefficient is derived from the large mass expansion. From the deformation of the corresponding lune result, I conjecture that the effective action on all odd manifolds with a simple conical singularity has an extremum when the singularity disappears. For the round sphere, I show how to convert the quadrature form of the conformal Laplacian determinant into the more usual sum of Riemann ?-functions (and log?2).

  1. 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.

  2. 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

    2015-10-21

    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

  3. Abradable dual-density ceramic turbine seal system

    NASA Technical Reports Server (NTRS)

    Clingman, D. L.; Schechter, B.; Cross, K. R.; Cavanagh, J. R.

    1981-01-01

    A plasma sprayed dual density ceramic abradable seal system for direct application to the HPT seal shroud of small gas turbine engines. The system concept is based on the thermal barrier coating and depends upon an additional layer of modified density ceramic material adjacent to the gas flow path to provide the desired abradability. This is achieved by codeposition of inert fillers with yttria stabilized zirconia (YSZ) to interrupt the continuity of the zirconia struture. The investigation of a variety of candidate fillers, with hardness values as low as 2 on Moh's scale, led to the conclusion that solid filler materials in combination with a YSZ matrix, regardless of their hardness values, have a propensity for compacting rather than shearing as originally expected. The observed compaction is accompanied by high energy dissipation in the rub interaction, usually resulting in the adhesive transfer of blade material to the stationary seal member. Two YSZ based coating systems which incorported hollow alumino silicate spheres as density reducing agents were surveyed over the entire range of compositions from 100 percent filler to 100 percent YSZ. Abradability and erosion characteristics were determined, hardness and permeability characterized, and engine experience acquired with several system configurations.

  4. 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.

  5. Ionic asymmetry and solvent excluded volume effects on spherical electric double layers: A density functional approach

    NASA Astrophysics Data System (ADS)

    Medasani, Bharat; Ovanesyan, Zaven; Thomas, Dennis G.; Sushko, Maria L.; Marucho, Marcelo

    2014-05-01

    In this article, we present a classical density functional theory for electrical double layers of spherical macroions that extends the capabilities of conventional approaches by accounting for electrostatic ion correlations, size asymmetry, and excluded volume effects. The approach is based on a recent approximation introduced by Hansen-Goos and Roth for the hard sphere excess free energy of inhomogeneous fluids [J. Chem. Phys. 124, 154506 (2006); Hansen-Goos and Roth, J. Phys.: Condens. Matter 18, 8413 (2006)]. It accounts for the proper and efficient description of the effects of ionic asymmetry and solvent excluded volume, especially at high ion concentrations and size asymmetry ratios including those observed in experimental studies. Additionally, we utilize a leading functional Taylor expansion approximation of the ion density profiles. In addition, we use the mean spherical approximation for multi-component charged hard sphere fluids to account for the electrostatic ion correlation effects. These approximations are implemented in our theoretical formulation into a suitable decomposition of the excess free energy which plays a key role in capturing the complex interplay between charge correlations and excluded volume effects. We perform Monte Carlo simulations in various scenarios to validate the proposed approach, obtaining a good compromise between accuracy and computational cost. We use the proposed computational approach to study the effects of ion size, ion size asymmetry, and solvent excluded volume on the ion profiles, integrated charge, mean electrostatic potential, and ionic coordination number around spherical macroions in various electrolyte mixtures. Our results show that both solvent hard sphere diameter and density play a dominant role in the distribution of ions around spherical macroions, mainly for experimental water molarity and size values where the counterion distribution is characterized by a tight binding to the macroion, similar to that predicted by the Stern model.

  6. Ionic Asymmetry and Solvent Excluded Volume Effects on Spherical Electric Double Layers: A Density Functional Approach

    SciTech Connect

    Medasani, Bharat; Ovanesyan, Zaven; Thomas, Dennis G.; Sushko, Maria L.; Marucho, Marcelo

    2014-05-29

    In this article we present a classical density functional theory for electrical double layers of spherical macroions that extends the capabilities of conventional approaches by accounting for electrostatic ion correlations, size asymmetry and excluded volume effects. The approach is based on a recent approximation introduced by Hansen-Goos and Roth for the hard sphere excess free energy of inhomogeneous fluids (J. Chem. Phys. 124, 154506). It accounts for the proper and efficient description of the effects of ionic asymmetry and solvent excluded volume, especially at high ion concentrations and size asymmetry ratios including those observed in experimental studies. Additionally, we utilize a leading functional Taylor expansion approximation of the ion density profiles. In addition, we use the Mean Spherical Approximation for multi-component charged hard sphere fluids to account for the electrostatic ion correlation effects. These approximations are implemented in our theoretical formulation into a suitable decomposition of the excess free energy which plays a key role in capturing the complex interplay between charge correlations and excluded volume effects. We perform Monte Carlo simulations in various scenarios to validate the proposed approach, obtaining a good compromise between accuracy and computational cost. We use the proposed computational approach to study the effects of ion size, ion size asymmetry and solvent excluded volume on the ion profiles, integrated charge, mean electrostatic potential, and ionic coordination number around spherical macroions in various electrolyte mixtures. Our results show that both solvent hard sphere diameter and density play a dominant role in the distribution of ions around spherical macroions, mainly for experimental water molarity and size values where the counterion distribution is characterized by a tight binding to the macroion, similar to that predicted by the Stern model.

  7. BOOKSHELF Hard Disk Drive

    E-print Network

    Benmei, Chen

    » BOOKSHELF Hard Disk Drive Servo Systems, 2nd edition by B.M. CHEN, T.H. LEE, K. PENG, and V- widths ever higher as higher frequency disturbances become relevant. THE BOOK Hard Disk Drive Servo I of Hard Disk Drive Servo Systems briefly discusses the history of hard drive control and the disk

  8. Role of bit patterned media in future of hard disk drives

    E-print Network

    Aravindakshan, Vibin

    2007-01-01

    The hard disk industry has traditionally stayed competitive by competing on the means of price alone by cutting down aggressively on cost via increase of areal density. Continuing increases in the areal density of hard ...

  9. Recent developments in classical density functional theory: Internal energy functional and diagrammatic structure of fundamental measure theory

    E-print Network

    M. Schmidt; M. Burgis; W. S. B. Dwandaru; G. Leithall; P. Hopkins

    2012-12-27

    An overview of several recent developments in density functional theory for classical inhomogeneous liquids is given. We show how Levy's constrained search method can be used to derive the variational principle that underlies density functional theory. An advantage of the method is that the Helmholtz free energy as a functional of a trial one-body density is given as an explicit expression, without reference to an external potential as is the case in the standard Mermin-Evans proof by reductio ad absurdum. We show how to generalize the approach in order to express the internal energy as a functional of the one-body density distribution and of the local entropy distribution. Here the local chemical potential and the bulk temperature play the role of Lagrange multipliers in the Euler-Lagrange equations for minimiziation of the functional. As an explicit approximation for the free-energy functional for hard sphere mixtures, the diagrammatic structure of Rosenfeld's fundamental measure density unctional is laid out. Recent extensions, based on the Kierlik-Rosinberg scalar weight functions, to binary and ternary non-additive hard sphere mixtures are described.

  10. Project CONDOR: Middle atmosphere wind structure obtained with lightweight inflatable spheres near the equatorial electrojet

    NASA Technical Reports Server (NTRS)

    Schmidlin, F. J.

    1987-01-01

    Observed correlations between the atmospheric electric field and the neutral wind were studied using additional atmospheric measurements during Project CONDOR. Project CONDOR obtained measurements near the equatorial electrojet (12 S) during March 1983. Neutral atmosphere wind measurements were obtained using lightweight inflatable spheres and temperatures were obtained using a datasonde. The lightweight sphere technology, the wind structure, and temperature structure are described. Results show that the lightweight sphere gives higher vertical resolution of winds below 75 km compared with the standard sphere, but gives little or no improvement above 80 km, and no usable temperature and density data.

  11. Thermodynamics of the low density excluded volume hadron gas

    E-print Network

    Krzysztof Redlich; Kacper Zalewski

    2015-12-06

    We consider thermodynamics of the excluded volume particles at finite temperature and chemical potential, in the low density approximation. We assume Boltzmann statistics and study the influence of the excluded volume on an ideal gas thermodynamics at the same temperature, pressure and numbers of particles. We show, that considering the change of the free enthalpy due to the excluded volume, and using the Maxwell identities, one can derive relevant thermodynamic functions and parameters of multi-component gases. The derivation is quite general as particles may have different sizes and shapes which can also depend on their momenta. Besides it's simplicity and generality, our approach has the advantage of eliminating the transcendental equations occurring in earlier studies. A representative example of the excluded volume thermodynamics is the single-component gas of hard spheres. For this case, using the viral expansion, the validity limits of the low-density approximation are also discussed.

  12. Frontal Impact of Rolling Spheres.

    ERIC Educational Resources Information Center

    Domenech, A.; Casasus, E.

    1991-01-01

    A model of the inelastic collision between two spheres rolling along a horizontal track is presented, taking into account the effects of frictional forces at impact. This experiment makes possible direct estimates of the coefficients of restitution and friction. (Author)

  13. Dyson Spheres around White Dwarfs

    E-print Network

    Semiz, ?brahim

    2015-01-01

    A Dyson Sphere is a hypothetical structure that an advanced civilization might build around a star to intercept all of the star's light for its energy needs. One usually thinks of it as a spherical shell about one astronomical unit (AU) in radius, and surrounding a more or less Sun-like star; and might be detectable as an infrared point source. We point out that Dyson Spheres could also be built around white dwarfs. This type would avoid the need for artificial gravity technology, in contrast to the AU-scale Dyson Spheres. In fact, we show that parameters can be found to build Dyson Spheres suitable --temperature- and gravity-wise-- for human habitation. This type would be much harder to detect.

  14. Coupling of hard dimers to dynamical lattices via random tensors

    E-print Network

    Valentin Bonzom; Harold Erbin

    2012-04-17

    We study hard dimers on dynamical lattices in arbitrary dimensions using a random tensor model. The set of lattices corresponds to triangulations of the d-sphere and is selected by the large N limit. For small enough dimer activities, the critical behavior of the continuum limit is the one of pure random lattices. We find a negative critical activity where the universality class is changed as dimers become critical, in a very similar way hard dimers exhibit a Yang-Lee singularity on planar dynamical graphs. Critical exponents are calculated exactly. An alternative description as a system of `color-sensitive hard-core dimers' on random branched polymers is provided.

  15. Improving the Density of Jammed Disordered Packings using Ellipsoids

    E-print Network

    Connelly, Robert

    ratio close to that of M&M'S r Candies, and even approach 0.74 for general ellipsoids. We suggest of ordered and disordered (random) hard-sphere packings (1). Packing problems (2) are of current interest

  16. Modelling anisotropic fluid spheres in general relativity

    E-print Network

    Petarpa Boonserm; Tritos Ngampitipan; Matt Visser

    2015-09-30

    We argue that an arbitrary general relativistic static anisotropic fluid sphere, (static and spherically symmetric but with transverse pressure not equal to radial pressure), can nevertheless be successfully mimicked by suitable linear combinations of theoretically attractive and quite simple classical matter: a classical (charged) isotropic perfect fluid, a classical electromagnetic field, and a classical (minimally coupled) scalar field. While the most general decomposition is not unique, a preferred minimal decomposition can be constructed that is unique. We show how the classical energy conditions for the anisotropic fluid sphere can be related to energy conditions for the isotropic perfect fluid, electromagnetic field, and scalar field components of the model. Furthermore we show how this decomposition relates to the distribution of both electric charge density and scalar charge density throughout the model. The generalized TOV equation implies that the perfect fluid component in this model is automatically in internal equilibrium, with pressure forces, electric forces, and scalar forces balancing the gravitational pseudo-force. Consequently, we can build theoretically attractive matter models that can be used to mimic almost any static spherically symmetric spacetime.

  17. 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.)

  18. GRAPHS WITH EULERIAN UNIT SPHERES OLIVER KNILL

    E-print Network

    Knill, Oliver

    . Geometric graphs, Graph coloring, Eulerian graphs, discrete Hopf-Rinov, Platonic solids, Billiards in graphs. We define Platonic spheres graph theoretically as d-spheres for which all unit spheres S(x) are graph isomorphic Platonic (d-1)-spheres. Gauss- Bonnet allows a straightforward classification within graph theory

  19. Excluded volume effects in compressed polymer brushes: A density functional theory

    SciTech Connect

    Chen, Cangyi; Tang, Ping E-mail: fengqiu@fudan.edu.cn; Qiu, Feng E-mail: fengqiu@fudan.edu.cn; Shi, An-Chang

    2015-03-28

    A classical density functional theory (DFT) is applied to investigate the behavior of compressed polymer brushes composed of hard-sphere chains. The excluded volume interactions among the chain segments are explicitly treated. Two compression systems are used to study the behavior of brush-wall and brush-brush interactions. For the brush-brush systems, an obvious interpenetration zone has been observed. The extent of the interpenetration depends strongly on the grafting density. Furthermore, the repulsive force between the brush and wall or between the two brushes has been obtained as a function of the compression distance. Compared to the prediction of the analytic self-consistent field theory, such force increases more rapidly in the brush-wall compression with high polymer grafting densities or at higher compressions. In the brush-brush compression system, the interpenetration between the two compressed brushes creates a “softer” interaction. The influence of hard-sphere solvents on the behavior of compressed brushes is also discussed.

  20. Viscosity, entropy and the viscosity to entropy density ratio; how perfect is a nucleonic fluid?

    E-print Network

    Aram Z. Mekjian

    2010-09-29

    The viscosity of hadronic matter is studied using a classical evaluation of the scattering angle and a quantum mechanical discussion based on phase shifts from a potential. Semi classical limits of the quantum theory are presented. A hard sphere and an attractive square well potential step are each considered as well as the combined effects of both. The lowest classical value of the viscosity for an attractive potential is shown to be a hard sphere limit. The high wave number-short wavelength limits of the quantum result have scaling laws associated with it for both the viscosity and entropy. These scaling laws are similar to the Fraunhoher diffraction increase for the hard sphere geometric cross section. Specific examples for nuclear collisions are given. The importance of the nuclear tensor force and hard core is mentioned. The viscosity (eta), entropy density (s) and eta/s ratio are calculated for a gas of dilute neutrons in the unitary limit of large scattering length. Away from the unitary limit, the ratio of the interaction radius or the scattering length to the interparticle spacing introduces a variable y besides the fugacity z. The isothermal compressibility is shown to impose important constraints. The results for eta/s are compared to the AdS/CFT string theory minimum of (1/4Pi)hbar/kb to see how close a nucleonic gas is to being a perfect fluid. The eta/s ~1hbar/kb for a neutron gas in its unitary limit. The eta/s 3hbar/kb treating the nuclear scattering as billiard ball collisions. The minimum eta/s for a neutron gas occurs in regions of negative isothermal compressibility and high fugacity where higher virial terms are important. In a neutron-proton system higher virial terms are associated with a liquid-gas phase transition and critical opalescent phenomena.The type of flow-laminar,vortex, turbulent- is investigated.

  1. Theoretical study of the freezing of polystyrene sphere suspensions

    NASA Technical Reports Server (NTRS)

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

    1983-01-01

    A theoretical study of melting in aqueous suspensions of polystyrene spheres is presented. The Helmholtz free energies of the liquid and solid phase of the suspensions are calculated as functions of sphere number density and electrolyte concentrations. The results tend to show that the freezing curve of such suspensions is that of a conventional classical liquid with repulsive short-range interactions. The interactions can be treated satisfactorily within a slightly modified Debye-Hueckel approximation. The modifications include size correction and a correction for nonlinear screening. The results are confirmed by analogous calculations for the solid phase, and for the line along which liquid and solid free energies are equal.

  2. Thermoinertial bouncing of a relativistic collapsing sphere: A numerical model

    SciTech Connect

    Herrera, L.; Di Prisco, A.; Barreto, W.

    2006-01-15

    We present a numerical model of a collapsing radiating sphere, whose boundary surface undergoes bouncing due to a decreasing of its inertial mass density (and, as expected from the equivalence principle, also of the 'gravitational' force term) produced by the 'inertial' term of the transport equation. This model exhibits for the first time the consequences of such an effect, and shows that under physically reasonable conditions this decreasing of the gravitational term in the dynamic equation may be large enough as to revert the collapse and produce a bouncing of the boundary surface of the sphere.

  3. Sampling from a polytope and hard-disk Monte Carlo

    E-print Network

    Sebastian C. Kapfer; Werner Krauth

    2013-01-21

    The hard-disk problem, the statics and the dynamics of equal two-dimensional hard spheres in a periodic box, has had a profound influence on statistical and computational physics. Markov-chain Monte Carlo and molecular dynamics were first discussed for this model. Here we reformulate hard-disk Monte Carlo algorithms in terms of another classic problem, namely the sampling from a polytope. Local Markov-chain Monte Carlo, as proposed by Metropolis et al. in 1953, appears as a sequence of random walks in high-dimensional polytopes, while the moves of the more powerful event-chain algorithm correspond to molecular dynamics evolution. We determine the convergence properties of Monte Carlo methods in a special invariant polytope associated with hard-disk configurations, and the implications for convergence of hard-disk sampling. Finally, we discuss parallelization strategies for event-chain Monte Carlo and present results for a multicore implementation.

  4. Ferminoic Casimir effect between spheres

    NASA Astrophysics Data System (ADS)

    Teo, L. P.

    2015-04-01

    We consider the Casimir interaction between two spheres corresponding to massless Dirac fields with MIT-bag boundary conditions. Using operator approach, we derive the TGTG formula for the Casimir interaction energy between the two spheres. A byproduct is the explicit formula for the translation matrix that relates the fermionic spherical waves in different coordinate systems. In the large separation limit, it is found that the order of the Casimir interaction energy is L-5 , where L is the separation between the centers of the spheres. This order is intermediate between that of two Dirichlet spheres (of order L-3 ) and two Neumann spheres (of order L-7 ). In the small separation limit, we derive analytically the asymptotic expansion of the Casimir interaction energy up to the next-to-leading order term. The leading term agrees with the proximity force approximation. The result for the next-to-leading order term is compared to the corresponding results for scalar fields and electromagnetic fields.

  5. Casimir energy and entropy in the sphere-sphere geometry

    SciTech Connect

    Rodriguez-Lopez, Pablo

    2011-08-15

    We calculate the Casimir energy and entropy for two spheres described by the perfect-metal model, plasma model, and Drude model in the large-separation limit. We obtain nonmonotonic behavior of the Helmholtz free energy as a function of separation and temperature for the perfect-metal and plasma models, leading to parameter ranges with negative entropy, and also we obtain nonmonotonic behavior of the entropy as a function of temperature and the separation between the spheres. This nonmonotonic behavior has not been found for the Drude model. The appearance of this anomalous behavior of the entropy as well as its thermodynamic consequences are discussed.

  6. Hyperuniformity of self-assembled soft colloidal spheres

    NASA Astrophysics Data System (ADS)

    Bretz, Coline

    2015-03-01

    Hyperuniformity characterizes a state of matter for which density fluctuations vanish on large scales. Hyperuniform materials are of technological importance as they exhibit interesting photonic properties. We have shown that such materials can be obtained by assembling spheres into a disordered jammed 2D- packing. To this end, we use a binary mixture of large and small Poly(NIPAM) particles confined between two cover slips. These soft spheres have been chosen for their temperature-sensitive properties. We can locally increase or decrease the volume fraction occupied by the spheres by finely tuning the temperature. By applying various temperature patterns, we are studying the spatial arrangements of the microgels and characterizing their hyperuniform properties through reconstruction and detection algorithms. CNRS-Rhodia-UPenn UMI 3254, Bristol, PA 19007-3624, USA

  7. Combustion of a Polymer (PMMA) Sphere in Microgravity

    NASA Technical Reports Server (NTRS)

    Yang, Jiann C.; Hamins, Anthony; Donnelly, Michelle K.

    1999-01-01

    A series of low gravity, aircraft-based, experiments was conducted to investigate the combustion of supported thermoplastic polymer spheres under varying ambient conditions. The three types of thermoplastic investigated were polymethylmethacrylate (PMMA), polypropylene (PP). and polystyrene (PS). Spheres with diameters ranging from 2 mm to 6.35 mm were tested. The total initial pressure varied from 0.05 MPa to 0. 15 MPa whereas the ambient oxygen concentration varied from 19 % to 30 % (by volume). The ignition system consisted of a pair of retractable energized coils. Two CCD cameras recorded the burning histories of the spheres. The video sequences revealed a number of dynamic events including bubbling and sputtering, as well as soot shell formation and break-up during combustion of the spheres at reduced gravity. The ejection of combusting material from the burning spheres represents a fire hazard that must be considered at reduced gravity. The ejection process was found to be sensitive to polymer type. All average burning rates were measured to increase with initial sphere diameter and oxygen concentration, whereas the initial pressure had little effect. The three thermoplastic types exhibited different burning characteristics. For the same initial conditions, the burning rate of PP was slower than PMMA, whereas the burning rate of PS was comparable to PMMA. The transient diameter of the burning thermoplastic exhibited two distinct periods: an initial period (enduring approximately half of the total burn duration) when the diameter remained approximately constant, and a final period when the square of the diameter linearly decreased with time. A simple homogeneous two-phase model was developed to understand the changing diameter of the burning sphere. Its value is based on a competition between diameter reduction due to mass loss from burning and sputtering, and diameter expansion due to the processes of swelling (density decrease with heating) and bubble growth. The model relies on empirical parameters for input, such as the burning rate and the duration of the initial and final burning periods.

  8. Rockwell Hardness Measurement of

    E-print Network

    Colton, Jonathan S.

    960-5 Rockwell Hardness Measurement of Metallic Materials Samuel R. Low NISTrecommended p r a c t i c e g u i d e Special Publication 960-5 #12;i Rockwell Hardness Measurement of Metallic Materials: (202) 512­2250 Mail: Stop SSOP, Washington, DC 20402-0001 #12;N FOREWORD The Rockwell hardness test

  9. 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.

  10. ORSPHERE: CRITICAL, BARE, HEU(93.2)-METAL SPHERE

    SciTech Connect

    Margaret A. Marshall

    2013-09-01

    In the early 1970’s Dr. John T. Mihalczo (team leader), J.J. Lynn, and J.R. Taylor performed experiments at the Oak Ridge Critical Experiments Facility (ORCEF) with highly enriched uranium (HEU) metal (called Oak Ridge Alloy or ORALLOY) in an attempt to recreate GODIVA I results with greater accuracy than those performed at Los Alamos National Laboratory in the 1950’s (HEU-MET-FAST-001). The purpose of the Oak Ridge ORALLOY Sphere (ORSphere) experiments was to estimate the unreflected and unmoderated critical mass of an idealized sphere of uranium metal corrected to a density, purity, and enrichment such that it could be compared with the GODIVA I experiments. “The very accurate description of this sphere, as assembled, establishes it as an ideal benchmark for calculational methods and cross-section data files.” (Reference 1) While performing the ORSphere experiments care was taken to accurately document component dimensions (±0. 0001 in. for non-spherical parts), masses (±0.01 g), and material data The experiment was also set up to minimize the amount of structural material in the sphere proximity. A three part sphere was initially assembled with an average radius of 3.4665 in. and was then machined down to an average radius of 3.4420 in. (3.4425 in. nominal). These two spherical configurations were evaluated and judged to be acceptable benchmark experiments; however, the two experiments are highly correlated.

  11. Analytical approximation for the sphere-sphere Coulomb potential

    E-print Network

    R. Anni

    2001-02-22

    A simple analytical expression, which closely approximates the Coulomb potential between two uniformly charged spheres, is presented. This expression can be used in the optical potential semiclassical analyses which require that the interaction be analytic on and near the real r-axis.

  12. Porous Si spheres encapsulated in carbon shells with enhanced anodic performance in lithium-ion batteries

    SciTech Connect

    Wang, Hui; Wu, Ping Shi, Huimin; Lou, Feijian; Tang, Yawen; Zhou, Tongge; Zhou, Yiming Lu, Tianhong

    2014-07-01

    Highlights: • In situ magnesiothermic reduction route for the formation of porous Si@C spheres. • Unique microstructural characteristics of both porous sphere and carbon matrix. • Enhanced anodic performance in term of cycling stability for lithium-ion batteries. - Abstract: A novel type of porous Si–C micro/nano-hybrids, i.e., porous Si spheres encapsulated in carbon shells (porous Si@C spheres), has been constructed through the pyrolysis of polyvinylidene fluoride (PVDF) and subsequent magnesiothermic reduction methodology by using SiO{sub 2} spheres as precursors. The as-synthesized porous Si@C spheres have been applied as anode materials for lithium-ion batteries (LIBs), and exhibit enhanced anodic performance in term of cycling stability compared with bare Si spheres. For example, the porous Si@C spheres are able to exhibit a high reversible capacity of 900.0 mA h g{sup ?1} after 20 cycles at a current density of 0.05 C (1 C = 4200 mA g{sup ?1}), which is much higher than that of bare Si spheres (430.7 mA h g{sup ?1})

  13. Mixtures of ions and amphiphilic molecules in slit-like pores: A density functional approach

    SciTech Connect

    Pizio, O.; R?ysko, W. Soko?owski, S.; Soko?owska, Z.

    2015-04-28

    We investigate microscopic structure and thermodynamic properties of a mixture that contains amphiphilic molecules and charged hard spheres confined in slit-like pores with uncharged hard walls. The model and the density functional approach are the same as described in details in our previous work [Pizio et al., J. Chem. Phys. 140, 174706 (2014)]. Our principal focus is in exploring the effects brought by the presence of ions on the structure of confined amphiphilic particles. We have found that for some cases of anisotropic interactions, the change of the structure of confined fluids occurs via the first-order transitions. Moreover, if anions and cations are attracted by different hemispheres of amphiphiles, a charge at the walls appears at the zero value of the wall electrostatic potential. For a given thermodynamic state, this charge is an oscillating function of the pore width.

  14. Mixtures of ions and amphiphilic molecules in slit-like pores: A density functional approach

    NASA Astrophysics Data System (ADS)

    Pizio, O.; R?ysko, W.; Soko?owski, S.; Soko?owska, Z.

    2015-04-01

    We investigate microscopic structure and thermodynamic properties of a mixture that contains amphiphilic molecules and charged hard spheres confined in slit-like pores with uncharged hard walls. The model and the density functional approach are the same as described in details in our previous work [Pizio et al., J. Chem. Phys. 140, 174706 (2014)]. Our principal focus is in exploring the effects brought by the presence of ions on the structure of confined amphiphilic particles. We have found that for some cases of anisotropic interactions, the change of the structure of confined fluids occurs via the first-order transitions. Moreover, if anions and cations are attracted by different hemispheres of amphiphiles, a charge at the walls appears at the zero value of the wall electrostatic potential. For a given thermodynamic state, this charge is an oscillating function of the pore width.

  15. Equations of state for many-body systems at high densities

    NASA Astrophysics Data System (ADS)

    Khan, Imran; Gao, Bo

    2004-05-01

    For a many-body system at high densities, the equation of state depends not only on the scattering length, but also on further details of the inter-particle potential. For a many-atom system, in particular, its behavior at high densities will depend on the van der Waals interaction. We are exploring the behavior of a many-atom system in this density regime using the variational Monte Carlo method, in combination with the concept of effective potential introduced in a recent work(B. Gao, J. Phys. B 36), 2111 (2003).. As an initial test, we will compare our hard-sphere results with those of Gross-Pitevaskii equation and diffussion Monte Carlo method(D. Blume and C. H. Greene, Phys. Rev. A 63), 063601 (2001)..

  16. Fuel Fabrication for Surrogate Sphere-Pac Rodlet

    SciTech Connect

    Del Cul, G.D.

    2005-07-19

    Sphere-pac fuel consists of a blend of spheres of two or three different size fractions contained in a fuel rod. The smear density of the sphere-pac fuel column can be adjusted to the values obtained for light-water reactor (LWR) pellets (91-95%) by using three size fractions, and to values typical of the fast-reactor oxide fuel column ({approx}85%) by using two size fractions. For optimum binary packing, the diameters of the two sphere fractions must differ by at least a factor of 7 (ref. 3). Blending of spheres with smaller-diameter ratios results in difficult blending, nonuniform loading, and lower packing fractions. A mixture of about 70 vol% coarse spheres and 30 vol% fine spheres is needed to obtain high packing fractions. The limiting smear density for binary packing is 86%, with about 82% achieved in practice. Ternary packing provides greater smear densities, with theoretical values ranging from 93 to 95%. Sphere-pac technology was developed in the 1960-1990 period for thermal and fast spectrum reactors of nearly all types (U-Th and U-Pu fuel cycles, oxide and carbide fuels), but development of this technology was most strongly motivated by the need for remote fabrication in the thorium fuel cycle. The application to LWR fuels as part of the DOE Fuel Performance Improvement Program did not result in commercial deployment for a number of reasons, but the relatively low production cost of existing UO{sub 2} pellet fuel is probably the most important factor. In the case of transmutation fuels, however, sphere-pac technology has the potential to be a lower-cost alternative while also offering great flexibility in tailoring the fuel elements to match the exact requirements of any particular reactor core at any given time in the cycle. In fact, the blend of spheres can be adjusted to offer a different composition for each fuel pin or group of pins in a given fuel element. Moreover, it can even provide a vertical gradient of composition in a single fuel pin. For minor-actinide-bearing fuels, the sphere-pac form is likely to accept the large helium release from {sup 241}Am transmutation with less difficulty than pellet forms and is especially well suited to remote fabrication as a dustless fuel form that requires a minimum number of mechanical operations. The sphere-pac (and vi-pac) fuel forms are being explored for use as a plutonium-burning fuel by the European Community, the Russian Federation, and Japan. Sphere-pac technology supports flexibility in the design and fabrication of fuels. For example, the blend composition can be any combination of fissile, fertile, transmutation, and inert components. Since the blend of spheres can be used to fill any geometric form, nonconventional fuel geometries (e.g., annular fuels rods, or annular pellets with the central region filled with spheres) are readily fabricated using sphere-pac loading methods. A project, sponsored by the U.S. Department of Energy Advanced Fuel Cycle Initiative (AFCI), has been initiated at Oak Ridge National Laboratory (ORNL) with the objective of conducting the research and development necessary to evaluate sphere-pac fuel for transmutation in thermal and fast-spectrum reactors. This AFCI work is unique in that it targets minor actinide transmutation and explores the use of a resin-loading technology for the fabrication of the remote-handled minor actinide fraction. While there are extensive data on sphere-pac fuel performance for both thermal-spectrum and fast-spectrum reactors, there are few data with respect to their use as a transmutation fuel. The sphere-pac fuels developed will be tested as part of the AFCI LWR-2 irradiations. This report provides a review of development efforts related to the fabrication of a sphere-pac rodlet containing surrogate fuel materials. The eventual goal of this activity is to develop a robust process that can be used to fabricate fuels or targets containing americium. The report also provides a review of the materials, methods, and techniques to be used in the fabrication of the surrogate fuel rodlet that will also b

  17. Molecular density functional theory for water with liquid-gas coexistence and correct pressure

    SciTech Connect

    Jeanmairet, Guillaume Levesque, Maximilien; Sergiievskyi, Volodymyr; Borgis, Daniel

    2015-04-21

    The solvation of hydrophobic solutes in water is special because liquid and gas are almost at coexistence. In the common hypernetted chain approximation to integral equations, or equivalently in the homogenous reference fluid of molecular density functional theory, coexistence is not taken into account. Hydration structures and energies of nanometer-scale hydrophobic solutes are thus incorrect. In this article, we propose a bridge functional that corrects this thermodynamic inconsistency by introducing a metastable gas phase for the homogeneous solvent. We show how this can be done by a third order expansion of the functional around the bulk liquid density that imposes the right pressure and the correct second order derivatives. Although this theory is not limited to water, we apply it to study hydrophobic solvation in water at room temperature and pressure and compare the results to all-atom simulations. The solvation free energy of small molecular solutes like n-alkanes and hard sphere solutes whose radii range from angstroms to nanometers is now in quantitative agreement with reference all atom simulations. The macroscopic liquid-gas surface tension predicted by the theory is comparable to experiments. This theory gives an alternative to the empirical hard sphere bridge correction used so far by several authors.

  18. Molecular density functional theory for water with liquid-gas coexistence and correct pressure

    NASA Astrophysics Data System (ADS)

    Jeanmairet, Guillaume; Levesque, Maximilien; Sergiievskyi, Volodymyr; Borgis, Daniel

    2015-04-01

    The solvation of hydrophobic solutes in water is special because liquid and gas are almost at coexistence. In the common hypernetted chain approximation to integral equations, or equivalently in the homogenous reference fluid of molecular density functional theory, coexistence is not taken into account. Hydration structures and energies of nanometer-scale hydrophobic solutes are thus incorrect. In this article, we propose a bridge functional that corrects this thermodynamic inconsistency by introducing a metastable gas phase for the homogeneous solvent. We show how this can be done by a third order expansion of the functional around the bulk liquid density that imposes the right pressure and the correct second order derivatives. Although this theory is not limited to water, we apply it to study hydrophobic solvation in water at room temperature and pressure and compare the results to all-atom simulations. The solvation free energy of small molecular solutes like n-alkanes and hard sphere solutes whose radii range from angstroms to nanometers is now in quantitative agreement with reference all atom simulations. The macroscopic liquid-gas surface tension predicted by the theory is comparable to experiments. This theory gives an alternative to the empirical hard sphere bridge correction used so far by several authors.

  19. 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.

  20. Plotting on the Sphere Grady Wright

    E-print Network

    Wright, Grady B.

    Plotting on the Sphere Grady Wright Contents · Longitude-Latitude plots · Plots using the Hammer projection · 3D plots on the sphere · 3D Plots from triangulations: · Vector fields · Plots in Longitude-Latitude · 3D plots on the sphere In this tutorial we review some techniques for plotting scalar

  1. Kinetic Theory for Binary Granular Mixtures at Low-Density

    E-print Network

    Vicente Garzo

    2007-04-10

    Many features of granular media can be modelled as a fluid of hard spheres with {\\em inelastic} collisions. Under rapid flow conditions, the macroscopic behavior of grains can be described through hydrodynamic equations. At low-density, a fundamental basis for the derivation of the hydrodynamic equations and explicit expressions for the transport coefficients appearing in them is provided by the Boltzmann kinetic theory conveniently modified to account for inelastic binary collisions. The goal of this chapter is to give an overview of the recent advances made for binary granular gases by using kinetic theory tools. Some of the results presented here cover aspects such as transport properties, energy nonequipartition, instabilities, segregation or mixing, non-Newtonian behavior, .... In addition, comparison of the analytical results with those obtained from Monte Carlo and molecular dynamics simulations is also carried out, showing the reliability of kinetic theory to describe granular flows even for strong dissipation.

  2. Gluon condensate behaviour at filling the Fermi sphere up

    E-print Network

    A. E. Dorokhov; S. V. Molodtsov; G. M. Zinovjev

    2007-04-24

    The impact of filling up the Fermi sphere with the quarks, which dynamically generated their masses on the instanton liquid at finite temperature and baryonic/quark number density, is investigated. It is demonstrated, in particular, that the boundary of chiral symmetry restoration phase transition is shifted to the larger (about 100 MeV more) value of quark chemical potential compared to the magnitude inherent in the Nambu-Jona-Lasinio model.

  3. The Precise Inner Solutions of Gravity field Equations of Hollow and Solid Spheres and the Theorem of Singularity

    E-print Network

    Mei Xiaochun

    2011-03-02

    In the present calculation of the inner solution of gravity field equation with spherical symmetry, in order to avoid the singularity appearing in the center of sphere, we actually let the integral constant to be zero. It is proved in this paper that the constant can not be zero. The metric of inner gravity field of hollow sphere is calculated at first. Then let the inner radius of hollow sphere become zero, we obtain the metric of inner gravity field of solid sphere. Based on the definition of energy momentum tensor of general relativity, the gravity masses of hollow and solid spheres in curved space are calculated strictly. The results indicate that no matter what the masses and densities of hollow sphere and solid sphere are, space-time singularities would appear in the centers of spheres. Meanwhile, no matter what the mass and density are, the intensity of pressure at the center point of solid sphere can not be infinite. That is to say, the material can not collapse towards the center of so-called black hole. In stead, it may be that there exist the spherical surfaces of infinite pressure inside the hollow and solid spheres, and material would collapse toward the surfaces so that the common spheres are unsteady. At the center of solid sphere and on its neighboring region, pressure intensities would become negative values. There may be a region for hollow sphere in which pressure intensities would become negative values too. The results only indicate that the singularity black holes predicated by general relativity are caused by the descriptive method of curved space-time and can not exist in nature actually. If black holes exist really in the universe, they can only be the Newtonian black holes, not the Einstein's black holes.

  4. Toward the jamming threshold sphere packings: Tunneled crystals of Chemistry, Princeton University, Princeton, New Jersey 08544, USA,

    E-print Network

    Stillinger, Frank

    Toward the jamming threshold sphere packings: Tunneled crystals Torquato Department of Chemistry have discovered family three­dimensional crystal sphere packings strictly jammed #i.e., mechanically crystals only candidate structures achieving jamming threshold #lowest­density rigid packing#, may have

  5. Hard-disk fluid revisit

    E-print Network

    Hanqing Zhao; Hong Zhao

    2015-11-03

    We study the velocity and energy current autocorrelation functions in hard-disk fluid by large-scale simulations. The $t^{-1}$ long-time tail is reconfirmed for the former while is verified for latter. The validity of several essential hydrodynamics and kinetics predictions are checked with varying the disks density. The significant difference between the two autocorrelation functions are revealed. The long-time tail of the velocity autocorrelation is derived using an intuitive picture, based on which a unified formula of the velocity autocorrelation function is presented. The mechanisms are discussed by studying the relaxation property of the momentum and local current.

  6. 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.

  7. 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.

  8. The hard metal diseases

    SciTech Connect

    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.66 references.

  9. 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.

  10. The statistical mechanics of inhomogeneous hard rod mixtures

    SciTech Connect

    Vanderlick, T.K.; Davis, H.T. ); Percus, J.K. )

    1989-12-01

    The exact statistical mechanical solution to the problem of an equilibrium inhomogeneous classical one-dimensional mixture of hard rods is presented. From the solution, thermodynamic properties, density profiles, and correlation functions of hard rod fluids confined to small regions (micropores) can be calculated. The theory is applied to investigate microstructure, pore pressures, and pore adsorption selectivity of micropores in equilibrium with binary hard rod mixtures. A prescription is suggested for generalizing the one-dimensional results to higher dimensions.

  11. Radiation Hard AlGaN Detectors and Imager

    SciTech Connect

    2012-05-01

    Radiation hardness of AlGaN photodiodes was tested using a 65 MeV proton beam with a total proton fluence of 3x10{sup 12} protons/cm{sup 2}. AlGaN Deep UV Photodiode have extremely high radiation hardness. These new devices have mission critical applications in high energy density physics (HEDP) and space explorations. These new devices satisfy radiation hardness requirements by NIF. NSTec is developing next generation AlGaN optoelectronics and imagers.

  12. Gravitational instability of finite isothermal spheres

    NASA Astrophysics Data System (ADS)

    Chavanis, P. H.

    2002-01-01

    We investigate the stability of bounded self-gravitating systems in the canonical ensemble by using a thermodynamical approach. Our study extends the earlier work of Padmanabhan (\\cite{pad89}) in the microcanonical ensemble. By studying the second variations of the free energy, we find that instability sets in precisely at the point of minimum temperature in agreement with the theorem of Katz (\\cite{kat78}). The perturbation that induces instability at this point is calculated explicitly; it has not a ``core-halo'' structure contrary to what happens in the microcanonical ensemble. We also study Jeans type gravitational instability of isothermal gaseous spheres described by Navier-Stokes equations. The introduction of a container and the consideration of an inhomogeneous distribution of matter avoids the Jeans swindle. We show analytically the equivalence between dynamical stability and thermodynamical stability and the fact that the stability of isothermal gas spheres does not depend on the viscosity. This confirms the findings of Semelin et al. (\\cite{sem01}) who used numerical methods or approximations. We also give a simpler derivation of the geometric hierarchy of scales inducing instability discovered by these authors. The density profiles that trigger these instabilities are calculated explicitly; high order modes of instability present numerous oscillations whose nodes also follow a geometric progression. This suggests that the system will fragment in a series of ``clumps'' and that these ``clumps'' will themselves fragment in substructures. The fact that both the domain sizes leading to instability and the ``clumps'' sizes within a domain follow a geometric progression with the same ratio suggests a fractal-like behavior. This gives further support to the interpretation of de Vega et al. (1996) concerning the fractal structure of the interstellar medium.

  13. Self-assembly of amphiphilic Janus particles at planar walls: A density functional study

    E-print Network

    Gerald Rosenthal; Sabine H. L. Klapp

    2010-12-06

    We investigate the structure formation of amphiphilic molecules at planar walls using density functional theory. The molecules are modeled as (hard) spheres composed of a hydrophilic and hydrophobic part. The orientation of the resulting Janus-particles is described as a vector representing an internal degree of freedom. Our density functional approach involves Fundamental Measure Theory combined with a mean-field approximation for the anisotropic interaction. Considering neutral, hydrophilic and hydrophobic walls, we study the adsorption of the particles, focussing on the competition between the surface field and interact ion-induced ordering phenomena. Finally, we consider systems confined between two planar walls. It is shown that the anisotropic Janus interaction yields pronounced frustration effects at low temperatures.

  14. Ionic density distributions near the charged colloids: Spherical electric double layers

    SciTech Connect

    Kim, Eun-Young; Kim, Soon-Chul

    2013-11-21

    We have studied the structure of the spherical electric double layers on charged colloids by a density functional perturbation theory, which is based both on the modified fundamental-measure theory for the hard spheres and on the one-particle direct correlation functional (DCF) for the electronic residual contribution. The contribution of one-particle DCF has been approximated as the functional integration of the second-order correlation function of the ionic fluids in a bulk phase. The calculated result is in very good agreement with the computer simulations for the ionic density distributions and the zeta potentials over a wide range of macroion sizes and electrolyte concentrations, and compares with the results of Yu et al. [J. Chem. Phys. 120, 7223 (2004)] and modified Poisson-Boltzmann approximation [L. B. Bhuiyan and C. W. Outhwaite, Condens. Matter Phys. 8, 287 (2005)]. The present theory is able to provide interesting insights about the charge inversion phenomena occurring at the interface.

  15. Carbonaceous spheres—an unusual template for solid metal oxide mesoscale spheres: Application to ZnO spheres

    SciTech Connect

    Patrinoiu, Greta; Calderón-Moreno, Jose Maria; Culita, Daniela C.; Birjega, Ruxandra; Ene, Ramona; Carp, Oana

    2013-06-15

    A green template route for the synthesis of mesoscale solid ZnO spheres was ascertained. The protocol involves a double coating of the carbonaceous spheres with successive layers of zinc-containing species by alternating a non-ultrasound and ultrasound-assisted deposition, followed by calcination treatments. The composites were characterized by FTIR spectroscopy, thermal analysis, scanning electron microscopy while the obtained ZnO spheres by X-ray diffraction, Raman spectroscopy, scanning and transmission electron microscopy, N{sub 2} adsorption–desorption isotherms and photoluminescence investigations. A growth mechanism of the solid spheres is advanced based on these results. While the spheres' diameters and the mean size values of ZnO are independent on deposition order, the surface area and the external porosity are fairly dependent. The photoluminescence measurements showed interesting emission features, with emission bands in the violet to orange region. The spheres present high photocatalytical activity towards the degradation of phenol under UV irradiation, the main reaction being its mineralization. - Graphical abstract: A novel and eco-friendly methodology for the synthesis of mesoscale solid ZnO spheres was developed. The protocol involves a double coating of the starch-derived carbonaceous spheres with successive layers of zinc-containing species by alternating a non-ultrasound and ultrasound-assisted deposition, followed by calcination treatments. - Highlights: • ZnO solid spheres are obtained via a template route using carbonaceous spheres. • Two-step coatings of interchangeable order are used as deposition procedure. • The coating procedure influences the porosity and surface area. • ZnO spheres exhibited interesting visible photoluminescence properties. • Solid spheres showed photocatalytical activity in degradation of phenol.

  16. Phase behavior of density-dependent pair potentials.

    PubMed

    Zhou, Shiqi

    2008-03-14

    Phase diagram is calculated by a recently proposed third-order thermodynamic perturbation theory (TPT) for fluid phase and a recently proposed first-order TPT for solid phases; the underlying interparticle potential consists of a hard sphere repulsion and a perturbation tail of an attractive inverse power law type or Yukawa type whose range varies with bulk densities. It is found that besides usual phase transitions associated with density-independent potentials, the density dependence of the perturbation tail evokes some additional novel phase transitions including isostructural solid-solid transition and liquid-liquid transition. Novel triple points are also exhibited which includes stable fluid (vapor or liquid)-face-centered cubic(fcc)-fcc and liquid-liquid-fcc, metastable liquid-body-centered cubic(bcc)-bcc. It also is found that the phase diagram sensitively depends on the density dependence and the concrete mathematical form of the underlying potentials. Some of the disclosed novel transitions has been observed experimentally in complex fluids and molecular liquids, while others still remain to be experimentally verified. PMID:18345910

  17. Quantum fractals on n-spheres. Clifford Algebra approach

    E-print Network

    Arkadiusz Jadczyk

    2007-05-25

    Using the Clifford algebra formalism we extend the quantum jumps algorithm of the Event Enhanced Quantum Theory (EEQT) to convex state figures other than those stemming from convex hulls of complex projective spaces that form the basis for the standard quantum theory. We study quantum jumps on n-dimensional spheres, jumps that are induced by symmetric configurations of non-commuting state monitoring detectors. The detectors cause quantum jumps via geometrically induced conformal maps (Mobius transformations) and realize iterated function systems (IFS) with fractal attractors located on n-dimensional spheres. We also extend the formalism to mixed states, represented by "density matrices". As a numerical illustration we study quantum fractals on the circle, two--sphere (octahedron), and on three-dimensional sphere (hypercube-tesseract, 24 cell, 600 cell,and 120 cell). The invariant measure on the attractor is approximated by the powers of the Markov operator. In the appendices we calculate the Radon-Nikodym derivative of the SO(n+1) invariant measure on S^n under SO(1,n+1) transformations and discuss the Hamilton's "icossian calculus" as well as its application to quaternionic realization of the binary icosahedral group that is at the basis of the 600 cell and its dual, the 120 cell. As a by-product of this work we obtain several Clifford algebraic results, such as a characterization of positive elements in a Clifford algebra Cl(n+1) as generalized Lorentz boosts, and their action as Moebius transformation on n-sphere, and a decomposition of any element of Spin^+(1,n+1) into a boost and a rotation, including the explicit formula for the pullback of the O(n+1) invariant Riemannian metric with respect to the associated Mobius transformation.

  18. 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.

  19. Simple technique determines ac properties of hard superconductive materials

    NASA Technical Reports Server (NTRS)

    Harper, C. M.; Hecht, R.

    1966-01-01

    Critical current density of neodymium-titanium alloy samples is analyzed from magnetization curves to determine the ac properties of hard semiconductive materials. A complete family of magnetization curves is obtained, each curve representing performance at a different temperature.

  20. 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.

  1. 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.

  2. Microgravity and the Formation of Latex Spheres

    NASA Technical Reports Server (NTRS)

    1982-01-01

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

  3. On finite simple groups acting on spheres

    E-print Network

    Zimmermann, Bruno P

    2011-01-01

    It is a consequence of the classical Jordan bound for finite subgroups of linear groups that in each dimension n there are only finitely many finite simple groups which admit a faithful linear action on the n-sphere. In the present paper we prove an analogue for smooth actions: in each dimension n there are only finitely many finite simple groups which admit a faithful smooth action on some homology sphere of dimension n, and in particular on the n-sphere.

  4. Can the Equivalent Sphere Model Approximate Organ Doses in Space?

    NASA Technical Reports Server (NTRS)

    Lin, Zi-Wei

    2007-01-01

    For space radiation protection it is often useful to calculate dose or dose,equivalent in blood forming organs (BFO). It has been customary to use a 5cm equivalent sphere to. simulate the BFO dose. However, many previous studies have concluded that a 5cm sphere gives very different dose values from the exact BFO values. One study [1] . concludes that a 9 cm sphere is a reasonable approximation for BFO'doses in solar particle event environments. In this study we use a deterministic radiation transport [2] to investigate the reason behind these observations and to extend earlier studies. We take different space radiation environments, including seven galactic cosmic ray environments and six large solar particle events, and calculate the dose and dose equivalent in the skin, eyes and BFO using their thickness distribution functions from the CAM (Computerized Anatomical Man) model [3] The organ doses have been evaluated with a water or aluminum shielding of an areal density from 0 to 20 g/sq cm. We then compare with results from the equivalent sphere model and determine in which cases and at what radius parameters the equivalent sphere model is a reasonable approximation. Furthermore, we address why the equivalent sphere model is not a good approximation in some cases. For solar particle events, we find that the radius parameters for the organ dose equivalent increase significantly with the shielding thickness, and the model works marginally for BFO but is unacceptable for the eye or the skin. For galactic cosmic rays environments, the equivalent sphere model with an organ-specific constant radius parameter works well for the BFO dose equivalent, marginally well for the BFO dose and the dose equivalent of the eye or the skin, but is unacceptable for the dose of the eye or the skin. The ranges of the radius parameters are also being investigated, and the BFO radius parameters are found to be significantly, larger than 5 cm in all cases, consistent with the conclusion of an earlier study [I]. The radius parameters for the dose equivalent in GCR environments are approximately between 10 and I I cm for the BFO, 3.7 to 4.8 cm for the eye, and 3.5 to 5.6 cm for the skin; while the radius parameters are between 10 and 13 cm for the BFO dose.

  5. Detecting dark energy with wavelets on the sphere

    E-print Network

    J. D. McEwen

    2007-08-29

    Dark energy dominates the energy density of our Universe, yet we know very little about its nature and origin. Although strong evidence in support of dark energy is provided by the cosmic microwave background, the relic radiation of the Big Bang, in conjunction with either observations of supernovae or of the large scale structure of the Universe, the verification of dark energy by independent physical phenomena is of considerable interest. We review works that, through a wavelet analysis on the sphere, independently verify the existence of dark energy by detecting the integrated Sachs-Wolfe effect. The effectiveness of a wavelet analysis on the sphere is demonstrated by the highly statistically significant detections of dark energy that are made. Moreover, the detection is used to constrain properties of dark energy. A coherent picture of dark energy is obtained, adding further support to the now well established cosmological concordance model that describes our Universe.

  6. Anisotropic fluid spheres in general relativity

    SciTech Connect

    Bayin, S.S.

    1982-09-15

    We present various analytic solutions for anisotropic fluid spheres in general relativity. First we consider generalizations of the P = ..cap alpha..rho solution to the case where pressure is anisotropic, and study the effects of anisotropy on the structure of neutron stars. Next we study radiating anisotropic fluid spheres and present three classes of analytic solutions. We also study slowly rotating anisotropic fluid spheres and present two analytic solutions corresponding to the nonradiating case. One of these solutions corresponds to uniform rotation, while the other corresponds to differential rotation. We also present differential equations to be solved for slowly rotating and radiating anisotropic fluid spheres.

  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. Radiometric levitation of micron sized spheres

    NASA Astrophysics Data System (ADS)

    Lewittes, M.; Arnold, S.; Oster, G.

    1982-03-01

    Radiometric levitation of a 20-?-diam dye-impregnated glycerol sphere has been observed at intensities as low as ˜1 W/cm2 in air at 30 Torr. The levitation has been effected on both strongly absorbing spheres in the direction of the light and weakly absorbing spheres in the opposite sense. Both strongly and weakly absorbing spheres are found to laterally seek an intensity minimum. Consequently particles were stably held in the focused beam of an Ar+ laser (4880 Å) operating in the TEM*01 (doughnut) mode.

  9. 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

  10. Sphere Drag and Heat Transfer.

    PubMed

    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

  11. 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.

  12. 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.

  13. Packing densification of binary mixtures of spheres and cubes subjected to 3D mechanical vibrations

    NASA Astrophysics Data System (ADS)

    An, X. Z.; He, S. S.; Feng, H. D.; Qian, Q.

    2015-01-01

    Packing densification of binary mixtures of spheres and cubes, which are large cubes/small spheres and large spheres/small cubes packing systems, under 3D vibrations was studied physically. The influences of vibration conditions such as vibration time, frequency, amplitude, vibration intensity, volume fraction of large particles, and container size on the packing densification were systematically analyzed, and the optimal processing parameters were identified. And the proposed analytical model was validated as well. The results show that the influences of each operating parameter on the packing densification of different binary mixtures have similar trends; however, the maximum packing densities and corresponding optimal parameters are different. The good agreement between physical and analytical results proves the effectiveness of the proposed analytical model. The results provide meaningful information and references for the random dense packings of binary mixtures of cubes and spheres both in industry and in scientific research.

  14. Feasibility of miniaturized instrumentation of the inflatable sphere for temperature, pressure and acceleration measurement

    NASA Technical Reports Server (NTRS)

    Luers, J. K.

    1975-01-01

    The feasibility of instrumenting the inflatable passive sphere (presently used to provide upper atmosphere density measurements) with miniaturized thermistors, pressure transducers, and accelerometers was analyzed. Data from the sensors must be transmitted by an onboard telemetry system to a ground receiving station. To assure a sufficiently slow fall velocity for the sphere the additional mass of the sensor and telemetry hardware must be less than 100 grams. Other constraints that must be satisfied by the sensor and telemetry systems include the ability to withstand a 150 g launch acceleration, the ability to function in both high and low temperature and pressure environments and be sufficiently small to be packaged within the body of a 3.81 cm diameter dart. A differential transducer that will measure the difference between ambient and internal sphere pressures is recommended. The application of each type of measurement relative to its ability to monitor sphere malfunction and to provide additional meteorological data is considered.

  15. Further investigation about Lagrangian theorem-based density functional approximation: test by non-uniform polymer melt

    NASA Astrophysics Data System (ADS)

    Zhou, Shiqi

    2005-04-01

    A Lagrangian theorem-based density functional approximation [S. Zhou, New J. Phys. 4 (2002) 36] for hard sphere fluid is employed to describe non-uniform polymer melt in the framework of density functional theory. A required bulk second order direct correlation function (DCF) within the whole density range is obtained by solving the polymer-RISM integral equation, the associated adjustable parameter is specified by a hard wall sum rule, and is found to be a negative value when the bulk density is low and the number of chain segment is large. However, the mathematically meaningless value can be physically meaningful by the observation that the present recipe can produce out density profile in very good agreement with simulation data not only at the contact region, but also at the region far away from the surface, and that the predicted global quantities such as surface excess and surface tension are also in good agreement with the simulation data. It is considered that the LTDFA has a property of self correction, which enables the LTDFA-based DFA for non-uniform polymer melt performs quite well even with a not very accurate second order DCF as input. Potential applications of the self correction peculiarity are discussed.

  16. Cracking in charged relativistic spheres

    E-print Network

    Guillermo A. González; Anamaría Navarro; Luis A. Núñez

    2015-05-20

    Using the concept of cracking, we have explored the influence of density fluctuations on isotropic and anisotropic charged matter configurations in General Relativity with "barotropic" equations of state, $P = P(\\rho)$ and $P_{\\perp}= P_{\\perp}(\\rho)$ and a mass-charge relation $Q=Q(\\rho)$. We have refined the idea that density fluctuations affect physical variables and their gradients, i.e. the radial pressure and charge density gradients. It is found that not only anisotropic charged models could present cracking (or overturning), but also isotropic charged matter configurations could be affected by density fluctuations.

  17. Cracking in charged relativistic spheres

    E-print Network

    González, Guillermo A; Núñez, Luis A

    2015-01-01

    Using the concept of cracking, we have explored the influence of density fluctuations on isotropic and anisotropic charged matter configurations in General Relativity with "barotropic" equations of state, $P = P(\\rho)$ and $P_{\\perp}= P_{\\perp}(\\rho)$ and a mass-charge relation $Q=Q(\\rho)$. We have refined the idea that density fluctuations affect physical variables and their gradients, i.e. the radial pressure and charge density gradients. It is found that not only anisotropic charged models could present cracking (or overturning), but also isotropic charged matter configurations could be affected by density fluctuations.

  18. C{sub 60}: Sphere or polyhedron?

    SciTech Connect

    Haddon, R.C.

    1997-02-19

    In the original publication on the subject, C{sub 60} was depicted with the aid of a soccer ball, but this representation soon gave way to the familiar line drawing of chemical bonds between nucleii. To a large extent the dichotomy in the representation of the fullerenes remains today, and it is the purpose of this paper to pose and address the question that appears in the title. Of course, in reality the answer is well-known, and neither the sphere nor the polyhedron represent C{sub 60}, which like other molecules exists as a collection of nuclei with an associated distribution of electron density. Nevertheless, it is of interest to consider which of these conventional representations is most relevant for the fullerenes and in particular the language most appropriate to the description of the shape of these molecules and the geometry of the carbon atoms. The analysis presented here shows that topology of the molecule is paramount, and hence, C{sub 60} (and the fullerenes) are best modeled as polyhedra. 16 refs., 3 figs.

  19. The AlloSphere: for Scientific

    E-print Network

    California at Santa Barbara, University of

    . The AlloSphere space contains a spherical screen that is 10 meters in diameter (see Figure 2). The sphere waves aren't reflected in any of its surfaces, yielding a neutral or dead space from an acoustic perspective. Stand- ing inside this chamber are two hemispheres constructed of perforated aluminum designed

  20. 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…

  1. Probability and Statistics for Disordered Sphere Packings

    E-print Network

    Picka, Jeffrey

    2007-01-01

    Developing useful physical models based on sphere packings requires that the disorder within each packing be seen as `random' in a very different way from the disorder seen in configurations of points arising from Gibbs processes. Careful consideration of this disorder has deep implications for how sphere packings can be fit to data, and to how a thermodynamics of granular materials can be developed.

  2. Nesting points in the sphere Dan Archdeacon

    E-print Network

    Archdeacon, Dan

    Nesting points in the sphere Dan Archdeacon Dept. of Computer Science University of Vermont) Abstract Let G be a graph embedded in the sphere. A k-nest of a point x not in G is a collection C 1 nested if each point not on the graph has a k-nest. In this paper we

  3. Einstein Metrics on Rational Homology 7-Spheres

    E-print Network

    Einstein Metrics on Rational Homology 7-Spheres Charles P. Boyer Krzysztof Galicki Michael Nakamaye Abstract: In this paper we demonstrate the existence of Sasakian-Einstein structures on certain 2-connected rational homology 7-spheres. These appear to be the #12;rst non-regular examples of Sasakian-Einstein

  4. Hard superconducting nitrides

    PubMed Central

    Chen, Xiao-Jia; Struzhkin, Viktor V.; Wu, Zhigang; Somayazulu, Maddury; Qian, Jiang; Kung, Simon; Christensen, Axel Nørlund; Zhao, Yusheng; Cohen, Ronald E.; Mao, Ho-kwang; Hemley, Russell J.

    2005-01-01

    Detailed study of the equation of state, elasticity, and hardness of selected superconducting transition-metal nitrides reveals interesting correlations among their physical properties. Both the bulk modulus and Vickers hardness are found to decrease with increasing zero-pressure volume in NbN, HfN, and ZrN. The computed elastic constants from first principles satisfy c11 > c12 > c44 for NbN, but c11 > c44 > c12 for HfN and ZrN, which are in good agreement with the neutron scattering data. The cubic ?-NbN superconducting phase possesses a bulk modulus of 348 GPa, comparable to that of cubic boron nitride, and a Vickers hardness of 20 GPa, which is close to sapphire. Theoretical calculations for NbN show that all elastic moduli increase monotonically with increasing pressure. These results suggest technological applications of such materials in extreme environments. PMID:15728352

  5. Hard superconducting nitrides.

    PubMed

    Chen, Xiao-Jia; Struzhkin, Viktor V; Wu, Zhigang; Somayazulu, Maddury; Qian, Jiang; Kung, Simon; Christensen, Axel Nørlund; Zhao, Yusheng; Cohen, Ronald E; Mao, Ho-kwang; Hemley, Russell J

    2005-03-01

    Detailed study of the equation of state, elasticity, and hardness of selected superconducting transition-metal nitrides reveals interesting correlations among their physical properties. Both the bulk modulus and Vickers hardness are found to decrease with increasing zero-pressure volume in NbN, HfN, and ZrN. The computed elastic constants from first principles satisfy c11 > c12 > c44 for NbN, but c11 > c44 > c12 for HfN and ZrN, which are in good agreement with the neutron scattering data. The cubic delta-NbN superconducting phase possesses a bulk modulus of 348 GPa, comparable to that of cubic boron nitride, and a Vickers hardness of 20 GPa, which is close to sapphire. Theoretical calculations for NbN show that all elastic moduli increase monotonically with increasing pressure. These results suggest technological applications of such materials in extreme environments. PMID:15728352

  6. 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.

  7. Detecting the dynamical state of the atmosphere from the orbital decay of the ODERACS spheres

    NASA Technical Reports Server (NTRS)

    Tan, Arjun

    1996-01-01

    The orbital decay curve of a satellite having constant cross-sectional area and in circular orbit can furnish valuable information regarding the dynamical state of the atmosphere. It is shown that a rectilinear decay curve having constant downward slope (zero curvature) should indicate that the atmosphere was undergoing compression during that period. A decay curve having concavity upwards (positive curvature) will strongly indicate that the atmosphere was in a contracting phase. A decay curve with downward concavity (negative curvature) may indicate an expanding, a stationary or a contracting atmosphere. This theory, when applied to the orbital decay of the Orbital Debris Radar Calibration Spheres (ODERACS) satellites, indicates that during the period from Day 90 through Day 240 in the year 1994, the atmosphere was very definitely in a compression mode. During this period, ODERACS Sphere 1 faced nearly constant densities while Sphere 6 actually encountered progressively smaller air densities as they descended. The atmospheric scale height as calculated from the orbital data of Spheres 1 and 6 diminished steadily during the same period. It is shown that Spheres 1 and 6 descended faster and slower respectively, than the level of constant air density equal to 5 x 10 kg/m . During a brief period from Day 240 through Day 290, the atmosphere reversed to a strongly expanding mode. Thereafter, the atmosphere reverted back to a compression mode from Day 290 through Day 390, 1994.

  8. NP-Hard Sets are Exponentially Dense Unless coNP NP/poly Harry Buhrman

    E-print Network

    Hitchcock, John

    NP-Hard Sets are Exponentially Dense Unless coNP NP/poly Harry Buhrman John M. Hitchcock Abstract We show that hard sets S for NP must have exponential density, i.e. |S=n| 2n for some > 0 for Turing reductions that make n1- queries. In addition we study the instance complexity of NP-hard problems

  9. 21 CFR 886.3320 - Eye sphere implant.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ...2011-04-01 2011-04-01 false Eye sphere implant. 886.3320 Section 886.3320... Prosthetic Devices § 886.3320 Eye sphere implant. (a) Identification. An eye sphere implant is a device intended to be...

  10. Charged-current reactions in the supernova neutrino-sphere

    NASA Astrophysics Data System (ADS)

    Rrapaj, Ermal; Holt, J. W.; Bartl, Alexander; Reddy, Sanjay; Schwenk, A.

    2015-03-01

    We calculate neutrino absorption rates due to charged-current reactions ?e+n ?e-+p and ?¯e+p ?e++n in the outer regions of a newly born neutron star called the neutrino-sphere. To improve on recent work which has shown that nuclear mean fields enhance the ?e cross section and suppress the ?¯e cross section, we employ realistic nucleon-nucleon interactions that fit measured scattering phase shifts. Using these interactions we calculate the momentum-, density-, and temperature-dependent nucleon self-energies in the Hartree-Fock approximation. A potential derived from chiral effective field theory and a pseudopotential constructed to reproduce nucleon-nucleon phase shifts at the mean-field level are used to study the equilibrium proton fraction and charged-current rates. We compare our results to earlier calculations obtained using phenomenological mean-field models and to those obtained in the virial expansion valid at low density and high temperature. In the virial regime our results are consistent with previous calculations, and at higher densities relevant for the neutrino-sphere, ? ?1012 g/cm 3, we find the difference between the ?e and ?¯e absorption rates to be larger than predicted earlier. Our results may have implications for heavy-element nucleosynthesis in supernovae, and for supernova neutrino detection.

  11. 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,…

  12. 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,…

  13. 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.…

  14. Soft Skills, Hard Science

    E-print Network

    Wu, Mingshen

    , and Persons with Disabilities) 6 6 #12;how to help? What factors cause students with disabilities to be less with disabilities, 680 employers who have hired in STEM areas Students rated themselves on various skills, EmployersSoft Skills, Hard Science: A Program to Improve Job Placement of STEM Graduates with Disabilities

  15. Density Functional Theory (DFT) Rob Parrish

    E-print Network

    Sherrill, David

    Density Functional Theory (DFT) Rob Parrish robparrish@gmail.com 1 #12;Agenda · The mechanism · References 2 #12;Wavefunction Approach 3 Hydrogen 421 Wavefunction at Density Isosurface. Really hard to find Easy to do this Why? Because of Hermitian Operators: Kinetic Energy Density: #12;Density Functional

  16. 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.

  17. Hard hexagon partition function for complex fugacity

    E-print Network

    M. Assis; J. L. Jacobsen; I. Jensen; J-M. Maillard; B. M. McCoy

    2013-09-21

    We study the analyticity of the partition function of the hard hexagon model in the complex fugacity plane by computing zeros and transfer matrix eigenvalues for large finite size systems. We find that the partition function per site computed by Baxter in the thermodynamic limit for positive real values of the fugacity is not sufficient to describe the analyticity in the full complex fugacity plane. We also obtain a new algebraic equation for the low density partition function per site.

  18. 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.

  19. 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.

  20. A free-space density functional theory for polymer adsorption: Influence of packing effect on conformations of polymer

    NASA Astrophysics Data System (ADS)

    Chen, Xueqian; Chen, Houyang; Liu, Honglai; Hu, Ying

    2011-01-01

    We propose a free-space density functional theory for polymer adsorption. The derivation within the framework of density functional theory leads to the splitting of the intrinsic free energy into an ideal-gas term and a residual term responsible for the intrinsic energy and the nonbonded interactions between monomers, respectively. A more reasonable treatment is adopted for the residual free energy to count for the monomer-monomer correlation underestimated by the local density approximation. An approach using propagators is proposed to calculate the single-chain partition function and the segment-density distributions, the three adsorption conformations as trains, loops, and tails are further described by propagators. Dirac's bra-ket notation used makes the derivation simpler and provides clearer physical meanings. The theoretical calculations for the adsorption of hard-sphere chains onto a nonadsorbing and an adsorbing hard wall show that the structure of the adsorption layer is strongly affected by the packing effect which has been underestimated by the previous lattice adsorption theory.

  1. Unemployment: Hard-Core or Hard-Shell?

    ERIC Educational Resources Information Center

    Lauer, Robert H.

    1972-01-01

    The term hard-core'' makes the unemployed culpable; the term hard shell'' shifts the burden to the employer, and the evidence from the suburban plant indicates that a substantial part of the problem must lie there. (DM)

  2. 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.

  3. Surface modification and characterization of carbon spheres by grafting polyelectrolyte brushes.

    PubMed

    Zhang, Qi; Li, Houbin; Zhang, Pan; Liu, Liangliang; He, Yuhang; Wang, Yali

    2014-01-01

    Modified carbon spheres (CSPBs) were obtained by grafting poly(diallyl dimethyl ammonium chloride) (p-DMDAAC) on the surface of carbon spheres (CSs). It can be viewed as a kind of cation spherical polyelectrolyte brushes (CSPBs), which consist of carbon spheres as core and polyelectrolytes as shell. The method of synthesizing carbon spheres was hydrothermal reaction. Before the polyelectrolyte brushes were grafted, azo initiator [4,4'-Azobis(4-cyanovaleric acyl chloride)] was attached to the carbon spheres' surface through hydroxyl groups. CSPBs were characterized by scanning electron microscope (SEM), Fourier transform infrared spectroscopy (FTIR), gel permeation chromatography (GPC), conductivity meter, and system zeta potential. The results showed that compared with carbon spheres, the conductivity and zeta potential on CSPBs increased from 9.98 to 49.24 ?S/cm and 11.6 to 42.5 mV, respectively, after the polyelectrolyte brushes were grafted. The colloidal stability in water was enhanced, and at the same time, the average diameter of the CSPBs was found to be 173 nm, and the average molecular weight and grafted density of the grafted polyelectrolyte brushes were 780,138 g/mol and 4.026?×?10(9)/nm(2,) respectively. PMID:24948900

  4. Strong and weak adsorptions of polyelectrolyte chains onto oppositely charged spheres

    NASA Astrophysics Data System (ADS)

    Cherstvy, A. G.; Winkler, R. G.

    2006-08-01

    We investigate the complexation of long thin polyelectrolyte (PE) chains with oppositely charged spheres. In the limit of strong adsorption, when strongly charged PE chains adapt a definite wrapped conformation on the sphere surface, we analytically solve the linear Poisson-Boltzmann equation and calculate the electrostatic potential and the energy of the complex. We discuss some biological applications of the obtained results. For weak adsorption, when a flexible weakly charged PE chain is localized next to the sphere in solution, we solve the Edwards equation for PE conformations in the Hulthén potential, which is used as an approximation for the screened Debye-Hückel potential of the sphere. We predict the critical conditions for PE adsorption. We find that the critical sphere charge density exhibits a distinctively different dependence on the Debye screening length than for PE adsorption onto a flat surface. We compare our findings with experimental measurements on complexation of various PEs with oppositely charged colloidal particles. We also present some numerical results of the coupled Poisson-Boltzmann and self-consistent field equation for PE adsorption in an assembly of oppositely charged spheres.

  5. A systematic comparison of different approaches of density functional theory for the study of electrical double layers

    SciTech Connect

    Yang, Guomin; Liu, Longcheng

    2015-05-21

    Based on the best available knowledge of density functional theory (DFT), the reference-fluid perturbation method is here extended to yield different approaches that well account for the cross correlations between the Columbic interaction and the hard-sphere exclusion in an inhomogeneous ionic hard-sphere fluid. In order to quantitatively evaluate the advantage and disadvantage of different approaches in describing the interfacial properties of electrical double layers, this study makes a systematic comparison against Monte Carlo simulations over a wide range of conditions. The results suggest that the accuracy of the DFT approaches is well correlated to a coupling parameter that describes the coupling strength of electrical double layers by accounting for the steric effect and that can be used to classify the systems into two regimes. In the weak-coupling regime, the approaches based on the bulk-fluid perturbation method are shown to be more accurate than the counterparts based on the reference-fluid perturbation method, whereas they exhibit the opposite behavior in the strong-coupling regime. More importantly, the analysis indicates that, with a suitable choice of the reference fluid, the weighted correlation approximation (WCA) to DFT gives the best account of the coupling effect of the electrostatic-excluded volume correlations. As a result, a piecewise WCA approach can be developed that is robust enough to describe the structural and thermodynamic properties of electrical double layers over both weak- and strong-coupling regimes.

  6. Hard Copy Market Overview

    NASA Astrophysics Data System (ADS)

    Testan, Peter R.

    1987-04-01

    A number of Color Hard Copy (CHC) market drivers are currently indicating strong growth in the use of CHC technologies for the business graphics marketplace. These market drivers relate to product, software, color monitors and color copiers. The use of color in business graphics allows more information to be relayed than is normally the case in a monochrome format. The communicative powers of full-color computer generated output in the business graphics application area will continue to induce end users to desire and require color in their future applications. A number of color hard copy technologies will be utilized in the presentation graphics arena. Thermal transfer, ink jet, photographic and electrophotographic technologies are all expected to be utilized in the business graphics presentation application area in the future. Since the end of 1984, the availability of color application software packages has grown significantly. Sales revenue generated by business graphics software is expected to grow at a compound annual growth rate of just over 40 percent to 1990. Increased availability of packages to allow the integration of text and graphics is expected. Currently, the latest versions of page description languages such as Postscript, Interpress and DDL all support color output. The use of color monitors will also drive the demand for color hard copy in the business graphics market place. The availability of higher resolution screens is allowing color monitors to be easily used for both text and graphics applications in the office environment. During 1987, the sales of color monitors are expected to surpass the sales of monochrome monitors. Another major color hard copy market driver will be the color copier. In order to take advantage of the communications power of computer generated color output, multiple copies are required for distribution. Product introductions of a new generation of color copiers is now underway with additional introductions expected during 1987. The color hard copy market continues to be in a state of constant change, typical of any immature market. However, much of the change is positive. During 1985, the color hard copy market generated 1.2 billion. By 1990, total market revenue is expected to exceed 5.5 billion. The business graphics CHC application area is expected to grow at a compound annual growth rate greater than 40 percent to 1990.

  7. Detecting dark energy with wavelets on the sphere Jason D. McEwen

    E-print Network

    McEwen, Jason

    Detecting dark energy with wavelets on the sphere Jason D. McEwen Astrophysics Group, Cavendish Laboratory, Cambridge CB3 0HE, UK ABSTRACT Dark energy dominates the energy density of our Universe, yet we know very little about its nature and origin. Although strong evidence in support of dark energy

  8. Anisotropic Spheres with Barotropic Equation of State in Bimetric Theory of Relativity

    E-print Network

    Naveen Bijalwan

    2011-07-13

    Recently, Khadekar (2007) presented the solutions with uniform energy density for anisotropic spheres in bimetric theory. We present here a general analytic solution to the field equations in bimetric theory for anisotropic fluids for a general barotropic equation of state by representing equations in terms for effective radial pressure . We list and discuss some old and new solutions which fall in this category.

  9. The structure of quantum spheres

    E-print Network

    Sheu, Albert J.

    2001-04-02

    = 0. So by considering the smallest i with wi =?, we get ˜Gn| ˜Wn = {(0, x, w) ? Fn| for some i ? n, wi =?, xi+1 = ... = xn = 0 but wj hard to verify that ?˜ is a surjective groupoid morphism from ˜Gn| ˜Wn...

  10. Ordering and Dynamics of Vibrated Hard Squares

    E-print Network

    Lee Walsh; Narayanan Menon

    2015-10-02

    We study an experimental system of hard granular squares in two dimensions, energized by vibration. The interplay of order in the orientations and positions of anisotropic particles allows for a rich set of phases. We measure the structure and dynamics of steady states as a function of particle density. This allows us to identify a progression of phases in which a low density isotropic fluid gives way to a phase with tetratic orientational order, short-range translational correlations, and slowed rotational dynamics. In this range of density we also observe a coupling between the orientational order and bond-orientational order. At higher densities, the particles freeze into a translationally and orientationally ordered square crystalline phase in which translational diffusion is suppressed.

  11. High-performance carbon nanotube-implanted mesoporous carbon spheres for supercapacitors with low series resistance

    SciTech Connect

    Yi, Bin; Chen, Xiaohua; Guo, Kaimin; Xu, Longshan; Chen, Chuansheng; Yan, Haimei; Chen, Jianghua

    2011-11-15

    Research highlights: {yields} CNTs-implanted porous carbon spheres are prepared by using gelatin as soft template. {yields} Homogeneously distributed CNTs form a well-develop network in carbon spheres. {yields} CNTs act as a reinforcing backbone assisting the formation of pore structure. {yields} CNTs improve electrical conductivity and specific capacitance of supercapacitor. -- Abstract: Carbon nanotube-implanted mesoporous carbon spheres were prepared by an easy polymerization-induced colloid aggregation method using gelatin as a soft template. Scanning electron microscopy, transmission electron microscopy and nitrogen adsorption-desorption measurements reveal that the materials are mesoporous carbon spheres, with a diameter of {approx}0.5-1.0 {mu}m, a specific surface area of 284 m{sup 2}/g and average pore size of 3.9 nm. Using the carbon nanotube-implanted mesoporous carbon spheres as electrode material for supercapacitors in an aqueous electrolyte solution, a low equivalent series resistance of 0.83 {Omega} cm{sup 2} and a maximum specific capacitance of 189 F/g with a measured power density of 8.7 kW/kg at energy density of 6.6 Wh/kg are obtained.

  12. 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.

  13. Magnetization of small iron-nickel spheres

    NASA Technical Reports Server (NTRS)

    Wasilewski, P.

    1981-01-01

    Magnetic properties of small iron-nickel alloy spheres, having compositions which cover the entire Fe-Ni binary, are presented. The spheres were formed during solidification in free fall following the melting of electropolished wires of appropriate composition. The spheres with Ni not greater than 25% acquired a martensitic thermal remanence while those with Ni not less than 30% acquired a thermoremanent magnetization. A magnetic remanence-composition diagram and a coercive force-composition diagram are constructed. Magnetic hysteresis loops and derived parameters demonstrate the difference between metal-bearing and oxide-bearing natural samples. The magnetic remanence varies as the sphere size in conjunction with the microstructure. These results help to explain why coercive force is generally low, remanent coercive force is generally high, and their ratio (R/C) is always large in fine metal dispersions, such as lunar samples and chondrite meteorites.

  14. Water entry of small hydrophobic spheres

    E-print Network

    Bush, John W. M.

    We present the results of a combined experimental and theoretical investigation of the normal impact of hydrophobic spheres on a water surface. Particular attention is given to characterizing the shape of the resulting air ...

  15. The Minimax Sphere Eversion G. Francis1

    E-print Network

    Sullivan, John M.

    's classical sphere eversions. These simulations were presented as real-time interactive animations in the CAVE automatic virtual envi- ronment at Supercomputing'95, as part of an experiment in distributed, parallel

  16. ISS Update: Smart SPHERES - Duration: 11 minutes.

    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 ...

  17. Slow dynamics of supercooled colloidal fluids: Spatial heterogeneities and nonequilibrium density fluctuations

    NASA Astrophysics Data System (ADS)

    Tokuyama, M.

    2000-06-01

    How the idea of the dynamic anomaly of the self-diffusion coefficient recently proposed by the present author works on the study of equilibrium and nonequilibrium supercooled colloidal liquids is discussed for two kinds of model suspensions, neutral and charged hard-sphere suspensions. Near colloidal glass transition, the long-lived, spatially heterogeneous glassy domains are shown to be formed for intermediate times in equilibrium and nonequilibrium systems. Those spatial heterogeneities are responsible for the slow relaxation of the density fluctuations. In fact, the long-known phenomena similar to those in glass-forming materials, such as the stretching of the ? process and the von Schweidler law, can be explained by the existence of those spatial structure. In the equilibrium system, however, those heterogeneities must be difficult to be observed since their sizes and magnitude are quite small compared to those in the nonequilibrium system. .

  18. Relationship between local molecular field theory and density functional theory for non-uniform liquids

    NASA Astrophysics Data System (ADS)

    Archer, A. J.; Evans, R.

    2013-01-01

    The local molecular field theory (LMF) developed by Weeks and co-workers has proved successful for treating the structure and thermodynamics of a variety of non-uniform liquids. By reformulating LMF in terms of one-body direct correlation functions we recast the theory in the framework of classical density functional theory (DFT). We show that the general LMF equation for the effective reference potential ?R(r) follows directly from the standard mean-field DFT treatment of attractive interatomic forces. Using an accurate (fundamental measures) DFT for the non-uniform hard-sphere reference fluid we determine ?R(r) for a hard-core Yukawa liquid adsorbed at a planar hard wall. In the approach to bulk liquid-gas coexistence we find the effective potentials exhibit rich structure that can include damped oscillations at large distances from the wall as well as the repulsive hump near the wall required to generate the low density "gas" layer characteristic of complete drying. We argue that it would be difficult to obtain the same level of detail from other (non-DFT based) implementations of LMF. LMF emphasizes the importance of making an intelligent division of the interatomic pair potential of the full system into a reference part and a remainder that can be treated in mean-field approximation. We investigate different divisions for an exactly solvable one-dimensional model where the pair potential has a hard-core plus a linear attractive tail. Results for the structure factor and the equation of state of the uniform fluid show that including a significant portion of the attraction in the reference system can be much more accurate than treating the full attractive tail in mean-field approximation. We discuss further aspects of the relationship between LMF and DFT.

  19. Nonlinear Neutral Inclusions: Assemblages of Spheres

    E-print Network

    Silvia Jiménez; Bogdan Vernescu; William Sanguinet

    2012-06-14

    If a neutral inclusion is inserted in a matrix containing a uniform applied electric field, it does not disturb the field outside the inclusion. The well known Hashin coated sphere is an example of a neutral coated inclusion. In this paper, we consider the problem of constructing neutral inclusions from nonlinear materials. In particular, we discuss assemblages of coated spheres and the two-dimensional analogous problem of assemblages of coated disks.

  20. 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.

  1. Structure of finite sphere packings via exact enumeration: Implications for colloidal crystal nucleation

    E-print Network

    Robert S. Hoy; Jared Harwayne-Gidansky; Corey S. O'Hern

    2012-05-02

    We analyze the geometric structure and mechanical stability of a complete set of isostatic and hyperstatic sphere packings obtained via exact enumeration. The number of nonisomorphic isostatic packings grows exponentially with the number of spheres $N$, and their diversity of structure and symmetry increases with increasing $N$ and decreases with increasing hyperstaticity $H \\equiv N_c - N_{ISO}$, where $N_c$ is the number of pair contacts and $N_{ISO} = 3N-6$. Maximally contacting packings are in general neither the densest nor the most symmetric. Analyses of local structure show that the fraction $f$ of nuclei with order compatible with the bulk (RHCP) crystal decreases sharply with increasing $N$ due to a high propensity for stacking faults, 5- and near-5-fold symmetric structures, and other motifs that preclude RHCP order. While $f$ increases with increasing $H$, a significant fraction of hyperstatic nuclei for $N$ as small as 11 retain non-RHCP structure. Classical theories of nucleation that consider only spherical nuclei, or only nuclei with the same ordering as the bulk crystal, cannot capture such effects. Our results provide an explanation for the failure of classical nucleation theory for hard-sphere systems of $N\\lesssim 10$ particles; we argue that in this size regime, it is essential to consider nuclei of unconstrained geometry. Our results are also applicable to understanding kinetic arrest and jamming in systems that interact via hard-core-like repulsive and short-ranged attractive interactions.

  2. Fourier space approach to the classical density functional theory for multi-Yukawa and square-well fluids

    NASA Astrophysics Data System (ADS)

    Hlushak, Stepan P.; McCabe, Clare; Cummings, Peter T.

    2012-09-01

    We present a Fourier space density functional approach for hard particles with attractive interactions, which is based on a previously developed two-dimensional approach [S. Hlushak, W. R?ysko, and S. Soko?owski, J. Chem. Phys. 131, 094904 (2009), 10.1063/1.3213623] for hard-sphere chains. The interactions are incorporated by means of a three-dimensional Fourier image of the direct correlation function that is obtained from the first-order mean-spherical approximation. In order to improve the computational efficiency, we make extensive use of fast Fourier transforms for calculating density convolution integrals. A two-dimensional implementation of the new density functional approach, based on the expansion of the functional around the bulk fluid density, is used to study structure and adsorption of two model fluids in narrow cylindrical pores. We also investigate two methods that improve the accuracy of the theory as compared to the conventional DFT approach, which expands the free energy functional around the bulk fluid density: One a variant of the reference fluid density functional theory used by Gillespie et al. [Phys. Rev. E 68, 031503 (2003), 10.1103/PhysRevE.68.031503], and the second a weighted density approach with energy route thermodynamics. Results from these two methods are compared to the conventional approach and also to the results of Monte Carlo simulations. We find that the method of Gillespie et al. and the weighted density approach with energy route thermodynamics yield significant improvement over the conventional approach.

  3. Facile synthesis and electrochemical performances of hollow graphene spheres as anode material for lithium-ion batteries

    PubMed Central

    2014-01-01

    The hollow graphene oxide spheres have been successfully fabricated from graphene oxide nanosheets utilizing a water-in-oil emulsion technique, which were prepared from natural flake graphite by oxidation and ultrasonic treatment. The hollow graphene oxide spheres were reduced to hollow graphene spheres at 500°C for 3 h under an atmosphere of Ar(95%)/H2(5%). The first reversible specific capacity of the hollow graphene spheres was as high as 903 mAh g-1 at a current density of 50 mAh g-1. Even at a high current density of 500 mAh g-1, the reversible specific capacity remained at 502 mAh g-1. After 60 cycles, the reversible capacity was still kept at 652 mAh g-1 at the current density of 50 mAh g-1. These results indicate that the prepared hollow graphene spheres possess excellent electrochemical performances for lithium storage. The high rate performance of hollow graphene spheres thanks to the hollow structure, thin and porous shells consisting of graphene sheets. PACS 81.05.ue; 61.48.Gh; 72.80.Vp PMID:25114657

  4. 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.

  5. Organizing principles for dense packings of nonspherical hard particles: Not all shapes are created equal

    NASA Astrophysics Data System (ADS)

    Torquato, Salvatore; Jiao, Yang

    2012-07-01

    We have recently devised organizing principles to obtain maximally dense packings of the Platonic and Archimedean solids and certain smoothly shaped convex nonspherical particles [Torquato and Jiao, Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.81.041310 81, 041310 (2010)]. Here we generalize them in order to guide one to ascertain the densest packings of other convex nonspherical particles as well as concave shapes. Our generalized organizing principles are explicitly stated as four distinct propositions. All of our organizing principles are applied to and tested against the most comprehensive set of both convex and concave particle shapes examined to date, including Catalan solids, prisms, antiprisms, cylinders, dimers of spheres, and various concave polyhedra. We demonstrate that all of the densest known packings associated with this wide spectrum of nonspherical particles are consistent with our propositions. Among other applications, our general organizing principles enable us to construct analytically the densest known packings of certain convex nonspherical particles, including spherocylinders, “lens-shaped” particles, square pyramids, and rhombic pyramids. Moreover, we show how to apply these principles to infer the high-density equilibrium crystalline phases of hard convex and concave particles. We also discuss the unique packing attributes of maximally random jammed packings of nonspherical particles.

  6. Charged-current reactions in the supernova neutrino-sphere

    NASA Astrophysics Data System (ADS)

    Holt, Jeremy; Rrapaj, Ermal; Bartl, Alexander; Reddy, Sanjay; Schwenk, Achim

    2014-09-01

    We compute neutrino absorption rates due to charged-current reactions ?e + n -->e- + p and ?e + p -->e+ + n in the outer regions of a newly born neutron star called the neutrino-sphere. Using realistic nucleon-nucleon potentials that fit measured scattering phase shifts, we calculate the momentum-, density- and temperature-dependent nucleon self-energies in the Hartree-Fock approximation, which leads to an enhancement of the ?e cross-section and a suppression of the ?e cross section. A potential based on chiral effective field theory and a pseudo-potential constructed to reproduce nucleon-nucleon phase shifts are employed. The effect of Hartree-Fock corrections to the nucleon self-energies on the equilibrium proton/electron fraction, and on the charged current rates is studied in detail. We find that for typical ambient conditions in the neutrino-sphere (T = 5 - 10 MeV and ? =1011 -1013 g/cm3) the difference between the ?e and ?e absorption rates are not as large as in previous calculations. Our results have implications for heavy element nucleosynthesis in supernovae and supernova neutrino detection. We compute neutrino absorption rates due to charged-current reactions ?e + n -->e- + p and ?e + p -->e+ + n in the outer regions of a newly born neutron star called the neutrino-sphere. Using realistic nucleon-nucleon potentials that fit measured scattering phase shifts, we calculate the momentum-, density- and temperature-dependent nucleon self-energies in the Hartree-Fock approximation, which leads to an enhancement of the ?e cross-section and a suppression of the ?e cross section. A potential based on chiral effective field theory and a pseudo-potential constructed to reproduce nucleon-nucleon phase shifts are employed. The effect of Hartree-Fock corrections to the nucleon self-energies on the equilibrium proton/electron fraction, and on the charged current rates is studied in detail. We find that for typical ambient conditions in the neutrino-sphere (T = 5 - 10 MeV and ? =1011 -1013 g/cm3) the difference between the ?e and ?e absorption rates are not as large as in previous calculations. Our results have implications for heavy element nucleosynthesis in supernovae and supernova neutrino detection. US DOE Grant No. DE-FG02-97ER41014.

  7. 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.

  8. On the role of ambient environments in the collapse of Bonnor-Ebert spheres

    SciTech Connect

    Kaminski, Erica; Frank, Adam; Carroll, Jonathan; Myers, Phil E-mail: pmyers@cfa.harvard.edu

    2014-07-20

    We consider the interaction between a marginally stable Bonnor-Ebert (BE) sphere and the surrounding ambient medium. In particular, we explore how the infall from an evolving ambient medium can trigger the collapse of the sphere using three-dimensional adaptive mesh refinement simulations. We find the resulting collapse dynamics to vary considerably with ambient density. In the highest ambient density cases, infalling material drives a strong compression wave into the cloud. It is the propagation of this wave through the cloud interior that triggers the subsequent collapse. For lower ambient densities, we find the main trigger of collapse to be a quasistatic adjustment of the BE sphere to gravitational settling of the ambient gas. In all cases, we find that the classic 'outside-in' collapse mode for super-critical BE spheres is recovered before a protostar (i.e., sink particle) forms. Our work supports scenarios in which BE dynamics naturally begins with either a compression wave or infall dominated phase, and only later assumes the usual outside-in collapse behavior.

  9. Hard physics in PHENIX

    E-print Network

    D. Peressounko; for the PHENIX collaboration

    2005-12-08

    We review recent results on hard observables in p+p, d+A and A+A collisions obtained by the PHENIX experiment. Emphasis is put on those measurements that provide insight into the properties of hot QCD media expected to be created in nucleus-nucleus collisions at RHIC energies. Direct photon spectra, jet properties and heavy quarks production measured in p+p and d+Au collisions are compared to the same observables extracted in heavy ion collisions to find modifications due to the presence of hot QCD matter.

  10. 1. Experimental details for the steel sphere cooling experiments 2 1.1 Hydrophilic spheres 2

    E-print Network

    Chan, Derek Y C

    .). It is a car mirror water-repellant agent used to keep the car side vision mirrors clean during rain, even cooling experiments 5 1.6 Sphere cooling in heated water 5 1.7 Varying hydrophobicity and Cytronix coating After washing with acetone, ethanol and water, the spheres have an apparent contact angle with water

  11. FOROS: Fresnel optical propagation code for SPHERE

    NASA Astrophysics Data System (ADS)

    Yaitskova, N.; Dohlen, K.; Rabou, P.; Boccaletti, A.; Carbillet, M.; Beuzit, J.-L.; Kasper, M.; Hubin, N.

    2010-10-01

    SPHERE (Spectro-Polarimetric High-contrast Exoplanet Research) is VLT instrument for the discovery and study of new extra-solar giant planets orbiting nearby stars by direct imaging of their circumstellar environment. SPHERE is a complex instrument containing more than 50 optical surfaces. The optical imperfections of each of these surfaces might influence the final contrast. SPHERE has several observing modes in Visible and Infrared, and therefore several optical paths. FOROS is an end-to-end optical propagation code for SPHERE, which includes almost all surfaces of the instrument. It models the instrument by the sequential blocks: VLT, Foreoptics, Corrective Optics, Coronagraph and so on, such that the beam quality can be studied at several selected locations. The Vis and IR paths are separated in the model. It incorporates the real data of surface measurement, according to the availability of this data; otherwise the surface error is simulated according to the existing specifications. Each surface error can be switched on and off; therefore the influence of each surface on the contrast can be studied independently. FOROS is an IDL-PROPER-based code, the main power of which is Fresnel propagation. Therefore it represents a numerical tool to study the Fresnel diffraction effects in SPHERE. In the paper we describe the structure and philosophy of the code, and present some results of the end-to-end modeling.

  12. FOROS: Fresnel optical propagation code for SPHERE

    NASA Astrophysics Data System (ADS)

    Yaitskova, Natalia; Dohlen, Kjetil; Rabou, Patrick; Boccaletti, Anthony; Carbillet, Marcel; Beuzit, Jean-Luc; Kasper, Markus; Hubin, Norbert

    2010-07-01

    SPHERE (Spectro-Polarimetric High-contrast Exoplanet Research) is VLT instrument for the discovery and study of new extra-solar giant planets orbiting nearby stars by direct imaging of their circumstellar environment. SPHERE is a complex instrument containing more than 50 optical surfaces. The optical imperfections of each of these surfaces might influence the final contrast. SPHERE has several observing modes in Visible and Infrared, and therefore several optical paths. FOROS is an end-to-end optical propagation code for SPHERE, which includes almost all surfaces of the instrument. It models the instrument by the sequential blocks: VLT, Foreoptics, Corrective Optics, Coronagraph and so on, such that the beam quality can be studied at several selected locations. The Vis and IR paths are separated in the model. It incorporates the real data of surface measurement, according to the availability of this data. Each surface error can be switched on and off; therefore the influence of each surface on the contrast can be studied independently. FOROS is an IDL-PROPER-based code, the main power of which is Fresnel propagation. Therefore it represents a numerical tool to study the Fresnel diffraction effects in SPHERE. In the paper we describe the structure and philosophy of the code. The phase screens are not yet implemented.

  13. Data Comparison: Satellite and Falling Sphere Temperatures

    NASA Technical Reports Server (NTRS)

    Schmidlin, Francis J.; Schauer, Allison G.; Remsberg, Ellis E.; Gerlach, John C. (Technical Monitor)

    2001-01-01

    Small meteorological rocketsondes providing temperature data have beam used for comparison with, and validation of measurements from satellite-borne instruments. A significant number of rocket-borne falling spheres were launched in conjunction with the Upper Atmosphere Research Satellite (UARS) for validation of the Halogen Occultation Experiment (HALOE), High Resolution Doppler Interferometer (HRDI), and the Microwave Limb Sounder (MLS) instruments. Upper stratosphere and mesosphere temperatures measured with these instruments on UARS are compared with inflatable spheres launched from Wallops Island (1992-1999), Brazil (1994), Hawaii (1992), Norway (1992), and Sweden (1993 and 1996). Time and space differences varied between the satellite measurement and the rocketsonde launch, for example HALOE overpasses occurred within 5 days and in some cases there were spatial differences of up to 30 degrees longitude. Validation measurements of the HRDI instrument occurred at Wallops Island when it passed within 20 minutes and 330 kilometers of the launch site. Because of discontinuity in the falling sphere drag coefficients when fall speed neared MACH 1 falling sphere temperatures near 70 kilometers attitude are biased toward lower temperatures. Availability of improved software and a new atmospheric model have helped to reduce this bias. The validated remote instrument measurements permit a new perspective of atmospheric structure to be formed, not always possible with the limited number of falling sphere measurements. Features of the remote measurement temperature profiles and their possible use to extend the climatological data base at the rocketsonde sites will be discussed.

  14. Surface layer determination for the Si spheres of the Avogadro project

    NASA Astrophysics Data System (ADS)

    Busch, I.; Azuma, Y.; Bettin, H.; Cibik, L.; Fuchs, P.; Fujii, K.; Krumrey, M.; Kuetgens, U.; Kuramoto, N.; Mizushima, S.

    2011-04-01

    For the accurate determination of the Avogadro constant, two 28Si spheres were produced, whose macroscopic density, in addition to other values, must be determined. To make a contribution to the new definition of the kilogram, a relative standard uncertainty of less than 2 × 10-8 has to be achieved. Each silicon surface is covered by a surface layer (SL). Consequently, correction parameters for the SL are determined to be applied to the mass and volume determination of the enriched spheres. With the use of a large set of surface analysing techniques, the structure of the SL is investigated. An unexpected metallic contamination existing on the sphere surface enlarges the uncertainty contribution of the correction parameters above the originally targeted value of 1 × 10-8. In the framework of this investigation this new obstacle is resolved in two ways. A new combination of analytical methods is applied to measure the SL mass mSL and the thickness dSL, including this new contamination, with an uncertainty of u(mSL) = 14.5 µg and 14.4 µg, respectively, and u(dSL) = 0.33 nm and 0.32 nm for the 28Si spheres AVO28-S5 and AVO28-S8, respectively. In the second part of the work, the chemical composition of these metallic contaminations is found to be Cu, Ni and Zn silicide compounds. For the removal of this contamination, a special procedure is developed, tested and applied to the spheres to produce the originally expected surface structure on the spheres. After the application of this new procedure the use of x-ray reflectometry directly at the spheres will be possible. It is expected to reduce the uncertainty contribution due to the SL down to 1 × 10-8.

  15. ORSPHERE: PHYSICS MEASUREMENTS FOR BARE, HEU(93.2)-METAL SPHERE

    SciTech Connect

    Margaret A. Marshall

    2014-03-01

    In the early 1970s Dr. John T. Mihalczo (team leader), J.J. Lynn, and J.R. Taylor performed experiments at the Oak Ridge Critical Experiments Facility (ORCEF) with highly enriched uranium (HEU) metal (called Oak Ridge Alloy or ORALLOY) in an attempt to recreate GODIVA I results with greater accuracy than those performed at Los Alamos National Laboratory in the 1950s (HEU-MET-FAST-001). The purpose of the Oak Ridge ORALLOY Sphere (ORSphere) experiments was to estimate the unreflected and unmoderated critical mass of an idealized sphere of uranium metal corrected to a density, purity, and enrichment such that it could be compared with the GODIVA I experiments. “The very accurate description of this sphere, as assembled, establishes it as an ideal benchmark for calculational methods and cross-section data files” (Reference 1). While performing the ORSphere experiments care was taken to accurately document component dimensions (±0.0001 inches), masses (±0.01 g), and material data. The experiment was also set up to minimize the amount of structural material in the sphere proximity. Two, correlated spheres were evaluated and judged to be acceptable as criticality benchmark experiments. This evaluation is given in HEU-MET-FAST-100. The second, smaller sphere was used for additional reactor physics measurements. Worth measurements (Reference 1, 2, 3 and 4), the delayed neutron fraction (Reference 3, 4 and 5) and surface material worth coefficient (Reference 1 and 2) are all measured and judged to be acceptable as benchmark data. The prompt neutron decay (Reference 6), relative fission density (Reference 7) and relative neutron importance (Reference 7) were measured, but are not evaluated. Information for the evaluation was compiled from References 1 through 7, the experimental logbooks 8 and 9 ; additional drawings and notes provided by the experimenter; and communication with the lead experimenter, John T. Mihalczo.

  16. Hypersonic acoustic excitations in binary colloidal crystals: Big versus small hard sphere control

    E-print Network

    Schofield, Andrew B.

    of the average medium, the authors' results show the existence of narrow bands originating from resonant consist of mesoscopic particles dis- persed in a continuous medium, and it is basically the par- ticle of the incoming and outgoing photons.4­7 This nondestructive and noncontact high- resolution technique is based

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

    E-print Network

    Umberto Marini Bettolo Marconi; Paolo Malgaretti; Ignacio Pagonabarraga

    2015-09-29

    The physics of diffusion phenomena in nano and micro channels 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.

  18. Gelation in a model 1-component system with adhesive hard-sphere interactions

    NASA Astrophysics Data System (ADS)

    Kim, Jung Min; Eberle, Aaron; Fang, Jun; Wagner, Norman

    2012-02-01

    Colloidal dispersions can undergo a dynamical arrest of the disperse phase leading to a system with solid-like properties when either the volume fraction or the interparticle potential is varied. Systems that contain low to moderate particulate concentrations form gels whereas higher concentrations lead to glassy states in which caging by nearest neighbors can be a significant contributor to the arrested long-time dynamics. Colloid polymer mixtures have been the prevalent model system for studying the effect of attraction, where attractions are entropically driven by depletion effects, in which gelation has been shown to be a result of phase separation [1]. Using the model 1-component octadecyl coated silica nanoparticle system, Eberle et al. [2] found the gel-line to intersect the spinodal to the left of the critical point, and at higher concentrations extended toward the mode coupling theory attractive driven glass line. . We continue this study by varying the particle diameter and find quantitative differences which we explain by gravity. 1. Lu, P.J., et al., Nature, 2008. 453(7194): p. 499-504.2. Eberle, A.P.R., N.J. Wagner, and R. Castaneda-Priego, Physical Review Letters, 2011. 106(10).

  19. An Analysis of Several Methods for Handling Hard-Sphere Frictional Contact in Rigid Multibody Dynamics

    E-print Network

    Negrut, Dan

    on Plane . . . . . . . . . . . . . . . . . . . . . . . . . . . 18 5.4 Box Sliding on Incline From Rest.3.1 Ball Sliding on Plane . . . . . . . . . . . . . . . . . . . . . . . . . . . 16 5.3.2 Box Sliding . . . . . . . . . . . . . . . . . . . . . . . . 19 5.5 Box Sliding on Incline To Rest . . . . . . . . . . . . . . . . . . . . . . . . . . 21 6

  20. Comparison of Dynamical Heterogeneity in Hard-Sphere and Attractive Glass Formers David R. Reichman

    E-print Network

    Rabani, Eran

    Department of Chemistry, Columbia UniVersity, 3000 Broadway, New York, New York 10027 Eran Rabani School, as a function of time t, provides a quantitative measure of such uniformity. Results of molecular dynamics

  1. 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.

  2. Scalable Metropolis Monte Carlo for simulation of hard shapes

    E-print Network

    Anderson, Joshua A; Glotzer, Sharon C

    2015-01-01

    We design and implement HPMC, a scalable hard particle Monte Carlo simulation toolkit, 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 flu...

  3. Scalable Metropolis Monte Carlo for simulation of hard shapes

    E-print Network

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

    2015-09-15

    We design and implement HPMC, a scalable hard particle Monte Carlo simulation toolkit, 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 minutes on 96 CPU cores on XSEDE Comet. The same simulation would take 7.6 hours in serial. HPMC also scales to large system sizes, and the same benchmark with 16.8 million particles runs in 1.4 hours on 2048 GPUs on OLCF Titan.

  4. Wave-induced motion of magnetic spheres

    E-print Network

    Gissinger, Christophe

    2016-01-01

    We report an experimental study of the motion of magnetized beads driven by a travelling wave magnetic field. For sufficiently large wave speed, we report the existence of a backward motion, in which the sphere can move in the direction opposite to the driving wave. We show that the transition to this new state is strongly subcritical and can lead to chaotic motion of the bead. For some parameters, this counter-propagation of the sphere can be one order of magnitude faster than the driving wave speed. These results are understood in the framework of a model based on the interplay among solid friction, air resistance and magnetic torque.

  5. The dissolution or growth of a sphere

    NASA Technical Reports Server (NTRS)

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

    1984-01-01

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

  6. Diffusiophoretic motion of an isolated charged porous sphere.

    PubMed

    Fang, William; Lee, Eric

    2015-12-01

    Diffusiophoretic motion, the migration of a colloidal particle in response to an externally applied solute concentration gradient, is investigated theoretically in this study for an isolated charged porous sphere suspended in an unbounded medium of electrolyte solution. The porous sphere is treated as a Brinkman medium with a uniformly distributed fixed charge density. The resulted general electrokinetic equations adopting the full nonlinear Poisson equation are solved numerically with a pseudo-spectral method based on Chebyshev polynomials. In particular, the convection contribution of the ion flux is taken into account properly as well. Key parameters of electrokinetic interest are examined for their respective effect on the particle motion. The particle mobility is much smaller in general than the analytical prediction neglecting the convection-induced double layer polarization effect, which is by far the most important factor in determining the porous particle motion. A less charged particle may actually move faster than a highly charged one due to this effect. Visual demonstration of the polarization is provided. Formation of a separate axisymmetric vortex flow is be responsible for the observation that a particle may reverse its direction of motion across a threshold permeability. This implies that a porous polyelectrolyte (like a protein or a DNA) assuming a random coil conformation may tango back and forth as it makes gyrations in diffusiophoretic motion. PMID:26301839

  7. Multisolitons with vector mesons on the two-sphere

    NASA Astrophysics Data System (ADS)

    Carrasco, F. L.; Reula, Oscar A.

    2014-08-01

    Recent studies have suggested a strong connection between the static solutions of the 3D Skyrme model and those corresponding to its low-dimensional analog (baby-Skyrme model) on a two-sphere. We have found almost identical solutions considering an alternative two-dimensional model in which a vector meson field is introduced and coupled to the system, instead of the usual Skyrme term. It has been known that including this vector meson field in three dimensions stabilizes the nonlinear sigma model without the need for a term that is quartic on derivatives of the pion fields (Skyrme term). The resulting model has proven to share many of the features that the usual Skyrme theory has, but with a better mathematical formulation in terms of the well posedness of its evolution equations. In the present work, we have numerically searched for static multisolitonic solutions of this alternative stabilization, for the case in which the base space is a two-sphere. Moreover, we analyze the stability of these solutions under small perturbations in a fully dynamical setting. We have also considered the inclusion of a particular potential term in the Lagrangian and explored the low- and high-density phases of solitons for different ranges of the parameter space, achieving solitons localized enough, which allows for a comparison with planar (two-dimensional) studies.

  8. Aerodynamic Focusing Of High-Density Aerosols

    SciTech Connect

    Ruiz, D. E.; Fisch, Nathaniel

    2014-02-24

    High-density micron-sized particle aerosols might form the basis for a number of applications in which a material target with a particular shape might be quickly ionized to form a cylindrical or sheet shaped plasma. A simple experimental device was built in order to study the properties of high-density aerosol focusing for 1#22; m silica spheres. Preliminary results recover previous findings on aerodynamic focusing at low densities. At higher densities, it is demonstrated that the focusing properties change in a way which is consistent with a density dependent Stokes number.

  9. Evolution of the dense packings of spherotetrahedral particles: from ideal tetrahedra to spheres

    NASA Astrophysics Data System (ADS)

    Jin, Weiwei; Lu, Peng; Li, Shuixiang

    2015-10-01

    Particle shape plays a crucial role in determining packing characteristics. Real particles in nature usually have rounded corners. In this work, we systematically investigate the rounded corner effect on the dense packings of spherotetrahedral particles. The evolution of dense packing structure as the particle shape continuously deforms from a regular tetrahedron to a sphere is investigated, starting both from the regular tetrahedron and the sphere packings. The dimer crystal and the quasicrystal approximant are used as initial configurations, as well as the two densest sphere packing structures. We characterize the evolution of spherotetrahedron packings from the ideal tetrahedron (s?=?0) to the sphere (s?=?1) via a single roundness parameter s. The evolution can be partitioned into seven regions according to the shape variation of the packing unit cell. Interestingly, a peak of the packing density ? is first observed at s???0.16 in the ?-s curves where the tetrahedra have small rounded corners. The maximum density of the deformed quasicrystal approximant family (????0.8763) is slightly larger than that of the deformed dimer crystal family (????0.8704), and both of them exceed the densest known packing of ideal tetrahedra (????0.8563).

  10. Evolution of the dense packings of spherotetrahedral particles: from ideal tetrahedra to spheres

    PubMed Central

    Jin, Weiwei; Lu, Peng; Li, Shuixiang

    2015-01-01

    Particle shape plays a crucial role in determining packing characteristics. Real particles in nature usually have rounded corners. In this work, we systematically investigate the rounded corner effect on the dense packings of spherotetrahedral particles. The evolution of dense packing structure as the particle shape continuously deforms from a regular tetrahedron to a sphere is investigated, starting both from the regular tetrahedron and the sphere packings. The dimer crystal and the quasicrystal approximant are used as initial configurations, as well as the two densest sphere packing structures. We characterize the evolution of spherotetrahedron packings from the ideal tetrahedron (s?=?0) to the sphere (s?=?1) via a single roundness parameter s. The evolution can be partitioned into seven regions according to the shape variation of the packing unit cell. Interestingly, a peak of the packing density ? is first observed at s???0.16 in the ?-s curves where the tetrahedra have small rounded corners. The maximum density of the deformed quasicrystal approximant family (????0.8763) is slightly larger than that of the deformed dimer crystal family (????0.8704), and both of them exceed the densest known packing of ideal tetrahedra (????0.8563). PMID:26490670

  11. Towards a Unified Description of the Rheology of Hard-Particle Suspensions.

    PubMed

    Guy, B M; Hermes, M; Poon, W C K

    2015-08-21

    The rheology of suspensions of Brownian, or colloidal, particles (diameter d?1???m) differs markedly from that of larger grains (d?50???m). Each of these two regimes has been separately studied, but the flow of suspensions with intermediate particle sizes (1???m?d?50???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 (noninertial) 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. PMID:26340217

  12. Assuring the quality of results of test hardness IRHD: IPT's case study

    NASA Astrophysics Data System (ADS)

    Yojo, T.; Miranda, M. J. A. C.; Oliveira, C. B.; Matteucci, C.

    2015-10-01

    This paper presents the experience of the Laboratory Trees, Woods and Furniture - LAMM in calibrating the durometer IRHD and assuring the quality of its test results, since there are no Certified Reference Material and laboratory in the Brazilian Calibration Network that can calibrate the equipment. To solve this problem, the IRHD hardness (N method) was quantified in three ways: a) by measuring the modulus of elasticity of the material, b) by measuring the depth the sphere entered the material and c) the durometer's direct reading. With the IRHD hardness measured by accepted international standards techniques, it was possible to evaluate the accuracy of the test results that assured the calibration of the equipment.

  13. Probability densities of a forced probe particle in glass: results from mode coupling theory and simulations of active microrheology

    E-print Network

    Christian J. Harrer; Antonio M. Puertas; Thomas Voigtmann; Matthias Fuchs

    2012-07-06

    We investigate the displacements of a probe particle inside a glass, when a strong external force is applied to the probe (active nonlinear microrheology). Calculations within mode coupling theory are presented for glasses of hard spheres and compared to Langevin and Brownian dynamics simulations. Under not too strong forces where the probe remains trapped, the probe density distribution becomes anisotropic. It is shifted towards the direction of the force, develops an enhanced tail in that direction (signalled by a positive skewness), and exhibits different variances along and perpendicular to the force direction. A simple model of an harmonically trapped probe rationalizes the low force limit, with strong strain softening setting in at forces of the order of a few thermal energies per particle radius.

  14. Low Velocity Sphere Impact of a Borosilicate Glass

    SciTech Connect

    Morrissey, Timothy G; Ferber, Mattison K; Wereszczak, Andrew A; Fox, Ethan E

    2012-05-01

    This report summarizes US Army TARDEC sponsored work at Oak Ridge National Laboratory (ORNL) involving low velocity (< 30 m/s or < 65 mph) ball impact testing of Borofloat borosilicate glass, and is a follow-up to a similar study completed by the authors on Starphire soda-lime silicate glass last year. The response of the borosilicate glass to impact testing at different angles was also studied. The Borofloat glass was supplied by the US Army Research Laboratory and its tin-side was impacted or indented. The intent was to better understand low velocity impact response in the Borofloat. Seven sphere materials were used whose densities bracket that of rock: borosilicate glass, soda-lime silicate glass, silicon nitride, aluminum oxide, zirconium oxide, carbon steel, and a chrome steel. A gas gun or a ball-drop test setup was used to produce controlled velocity delivery of the spheres against the glass tile targets. Minimum impact velocities to initiate fracture in the Borofloat were measured and interpreted in context to the kinetic energy of impact and the elastic property mismatch between the seven sphere-Borofloat-target combinations. The primary observations from this low velocity (< 30 m/s or < 65 mph) testing were: (1) BS glass responded similarly to soda-lime silicate glass when spherically indented but quite differently under sphere impact conditions; (2) Frictional effects contributed to fracture initiation in BS glass when it spherically indented. This effect was also observed with soda-lime silicate glass; (3) The force necessary to initiate fracture in BS glass under spherical impact decreases with increasing elastic modulus of the sphere material. This trend is opposite to what was observed with soda-lime silicate glass. Friction cannot explain this trend and the authors do not have a legitimate explanation for it yet; (4) The force necessary to initiate contact-induced fracture is higher under dynamic conditions than under quasi-static conditions. That difference decreases with increasing elastic modulus mismatch between the sphere material and borosilicate This trend was opposite in soda-lime silicate glass; (5) Fracture in borosilicate glass occurs at lower velocities (i.e., easier) at 24{sup o} than at 0{sup o} (orthogonal) and 46{sup o} of impact for the same probability of failure. Though not analyzed yet, this suggests that a convolution of kinetic energy and friction is contributing to that trend; (6) There is a subtle indication there was intra-tile differences in spherical indentation RCIF. This likely is not a material property nor exclusive to borosilicate glass, rather, it is a statistical response of a combination of local, surface-located flaw and imposed tensile stress. Understanding of the surface flaw population and flaw positioning can likely enable prediction of spherical indentation RCIF; and (7) Contact-induced fracture did not initiate in the Borofloat BS for impact kinetic energies up to {approx} 20 mJ. For kinetic energies between {approx} 20-150 mJ, fracture sometimes initiated. Contact-induced fracture would always occur for impact energies > 150 mJ. The energy values, and their boundaries, were much lower for BS glass than they were for soda-lime silicate glass.

  15. Identifying high redshift AGNs using X-ray hardness

    E-print Network

    J. X. Wang; S. Malhotra; J. E. Rhoads; C. A. Norman

    2004-08-10

    The X-ray color (hardness ratio) of optically undetected X-ray sources can be used to distinguish obscured active galactic nuclei (AGNs) at low and intermediate redshift from viable high-redshift (i.e., z>5) AGN candidates. This will help determine the space density, ionizing photon production, and X-ray background contribution of the earliest detectable AGNs. High redshift AGNs should appear soft in X-rays, with hardness ratio HR ~ -0.5, even if there is strong absorption by a hydrogen column density N_H up to 10^23 cm^-2, simply because the absorption redshifts out of the soft X-ray band in the observed frame. Here the X-ray hardness ratio is defined as HR= (H-S)/(H+S), where S and H are the soft and hard band net counts detected by Chandra. High redshift AGNs that are Compton thick (N_H>~10^24 cm^-2) could have HR~0.0 at z>5. However, these should be rare in deep Chandra images, since they have to be >~10 times brighter intrinsically, which implies >~100 times drop in their space density. Applying the hardness criterion (HR<0.0) can filter out about 50% of the candidate high redshift AGNs selected from deep Chandra images.

  16. Temperatures of the Terrestrial Sphere Interplanetary Space

    E-print Network

    Noone, David

    On the Temperatures of the Terrestrial Sphere and Interplanetary Space Jean-Baptiste Joseph Fourier 1 #12;Translator's note. This is a translation of Jean-Baptiste Joseph Fourier's "M´emoire sur les de France (search catalogue.bnf.fr for author "Fourier, Jean-Baptiste-Joseph"). In the version

  17. 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.

  18. 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)

  19. 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.

  20. The Public Sphere and Online, Independent Journalism

    ERIC Educational Resources Information Center

    Beers, David

    2006-01-01

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