Shapiro, Paul R.; Iliev, Ilian T.; Raga, Alejandro C.
1999-07-01
The post-collapse structure of objects that form by gravitational condensation out of the expanding cosmological background universe is a key element in the theory of galaxy formation. Towards this end, we have reconsidered the outcome of the non-linear growth of a uniform, spherical density perturbation in an unperturbed background universe - the cosmological `top-hat' problem. We adopt the usual assumption that the collapse to infinite density at a finite time predicted by the top-hat solution is interrupted by a rapid virialization caused by the growth of small-scale inhomogeneities in the initial perturbation. We replace the standard description of the post-collapse object as a uniform sphere in virial equilibrium by a more self-consistent one as a truncated, non-singular, isothermal sphere in virial and hydrostatic equilibrium, including for the first time a proper treatment of the finite-pressure boundary condition on the sphere. The results differ significantly from both the uniform sphere and the singular isothermal sphere approximations for the post-collapse objects. The virial temperature that results is more than twice the previously used `standard value' of the post-collapse uniform sphere approximation, but 1.4 times smaller than that of the singular, truncated isothermal sphere approximation. The truncation radius is 0.554 times the radius of the top-hat at maximum expansion, and the ratio of the truncation radius to the core radius is 29.4, yielding a central density that is 514 times greater than at the surface and 1.8x10^4 times greater than that of the unperturbed background density at the epoch of infinite collapse predicted by the top-hat solution. For the top-hat fractional overdensity delta_L predicted by extrapolating the linear solution into the non-linear regime, the standard top-hat model assumes that virialization is instantaneous at delta_Ldelta_c=1.686 i.e. the epoch at which the non-linear top-hat reaches infinite density. The surface
Iliev, I. T.; Shapiro, P. R.; Raga, A. C.
1998-12-01
The postcollapse structure of objects which form by gravitational condensation out of the expanding cosmological background universe is a key element in the theory of galaxy formation. Towards this end, we have reconsidered the outcome of the nonlinear growth of a uniform, spherical density perturbation in an unperturbed background universe - the cosmological ``top-hat'' problem. We adopt the usual assumption that the collapse to infinite density at a finite time predicted by the top-hat solution is interrupted by a rapid virialization caused by the growth of small-scale inhomogeneities in the initial perturbation. We replace the standard description of the postcollapse object as a uniform sphere in virial equilibrium by a more self-consistent one as a truncated, nonsingular, isothermal sphere in virial and hydrostatic equilibrium, including for the first time a proper treatment of the finite-pressure boundary condition on the sphere. The results differ significantly from both the uniform sphere and the singular isothermal sphere approximations for the postcollapse objects. These results will have a significant effect on a wide range of applications of the Press-Schechter and other semi-analytical models to cosmology. The truncated isothermal sphere solution presented here predicts the virial temperature and integrated mass distribution of the X-ray clusters formed in the CDM model as found by detailed, 3D, numerical gas and N-body dynamical simulations remarkably well. This solution allows us to derive analytically the numerically-calibrated mass-temperature and radius-temperature scaling laws for X-ray clusters which were derived empirically by Evrard, Metzler and Navarro from simulation results for the CDM model.
Shapiro, P R; Raga, A C; Shapiro, Paul R.; Iliev, Ilian; Raga, Alejandro C.
1998-01-01
The postcollapse structure of objects which form by gravitational condensation out of the expanding cosmological background universe is a key element in the theory of galaxy formation. Towards this end, we have reconsidered the outcome of the nonlinear growth of a uniform, spherical density perturbation in an unperturbed background universe - the cosmological ``top-hat'' problem. We adopt the usual assumption that the collapse to infinite density at a finite time predicted by the top-hat solution is interrupted by a rapid virialization caused by the growth of small-scale inhomogeneities in the initial perturbation. We replace the standard description of the postcollapse object as a uniform sphere in virial equilibrium by a more self-consistent one as a truncated, nonsingular, isothermal sphere in virial and hydrostatic equilibrium, including for the first time a proper treatment of the finite-pressure boundary condition on the sphere. The results differ significantly from both the uniform sphere and the singu...
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
Close packing density of polydisperse hard spheres.
Farr, Robert S; Groot, Robert D
2009-12-28
The most efficient way to pack equally sized spheres isotropically in three dimensions is known as the random close packed state, which provides a starting point for many approximations in physics and engineering. However, the particle size distribution of a real granular material is never monodisperse. Here we present a simple but accurate approximation for the random close packing density of hard spheres of any size distribution based upon a mapping onto a one-dimensional problem. To test this theory we performed extensive simulations for mixtures of elastic spheres with hydrodynamic friction. The simulations show a general (but weak) dependence of the final (essentially hard sphere) packing density on fluid viscosity and on particle size but this can be eliminated by choosing a specific relation between mass and particle size, making the random close packed volume fraction well defined. Our theory agrees well with the simulations for bidisperse, tridisperse, and log-normal distributions and correctly reproduces the exact limits for large size ratios.
Modelling anisotropic fluid spheres in general relativity
Boonserm, Petarpa; Visser, Matt
2015-01-01
We argue that an arbitrary general relativistic anisotropic fluid sphere, (spherically symmetric but with transverse pressure not equal to radial pressure), can nevertheless be successfully modelled by suitable linear combinations of quite ordinary classical matter: an 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 electric charge density and scalar charge density throughout the model that is used to mimic the anisotropic fluid sphere. Consequently, we can build physically reasonable matter models for almost any spherically symmetric spacetime.
Institute of Scientific and Technical Information of China (English)
Zhou Shi-Qi
2007-01-01
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.
Oettel, M; Dorosz, S; Berghoff, M; Nestler, B; Schilling, T
2012-08-01
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. Thereby it turns out that the order parameter of the phase-field crystal model is more consistent with a smeared density field (shifted and rescaled) than with the shifted and rescaled density itself. In brief, we conclude that fundamental measure theory is very accurate and can serve as a benchmark for the other theories. Taylor expansion strongly affects free energies, surface tensions, and vacancy concentrations. Furthermore it is phenomenologically misleading to interpret the phase-field crystal model as stemming directly from Taylor-expanded density functional theory.
Tsekov, R
2014-01-01
The finite size effect of electron and nucleus is accounted for in the model of atom. Due to their hard sphere repulsion the energy of the 1s orbital decreases and the corrections amount up to 8 % in Uranium. Several models for boundary conditions on the atomic nucleus surface are discussed as well.
Low-Density Fluid Phase of Dipolar Hard Spheres
Sear, Richard P.
1996-03-01
Unexpectedly, recent computer simulation studies [Weis and Levesque, Phys. Rev. Lett. 71, 2729 (1993); Leeuwen and Smit, ibid. 71, 3991 (1993)] failed to find a liquid phase for dipolar hard spheres. We argue that the liquid was not observed because the dipolar spheres form long chains which interact only weakly. To support this argument we derive a simple theory for noninteracting chains of dipolar spheres and show that it provides a reasonable description of the low-density fluid phase.
Directory of Open Access Journals (Sweden)
B. Hribar-Lee
2013-01-01
Full Text Available Very recently the effect of equisized charged hard sphere solutes in a mixture with core-softened fluid model on the structural and thermodynamic anomalies of the system has been explored in detail by using Monte Carlo simulations and integral equations theory (J. Chem. Phys., Vol. 137, 244502 (2012. Our objective of the present short work is to complement this study by considering univalent ions of unequal diameters in a mixture with the same soft-core fluid model. Specifically, we are interested in the analysis of changes of the temperature of maximum density (TMD lines with ion concentration for three model salt solutes, namely sodium chloride, potassium chloride and rubidium chloride models. We resort to Monte Carlo simulations for this purpose. Our discussion also involves the dependences of the pair contribution to excess entropy and of constant volume heat capacity on the temperature of maximum density line. Some examples of the microscopic structure of mixtures in question in terms of pair distributions functions are given in addition.
The Chiral Dipolar Hard Sphere Model.
Mazars, Martial
2009-01-01
Abstract A simple molecular model of chiral molecules is presented in this paper : the chiral dipolar hard sphere model. The discriminatory interaction between enantiomers is represented by electrostatic (or magnetic) dipoles-dipoles interactions : short ranged steric repulsion are represented by hard sphere potential and, in each molecule, two point dipoles are located inside the sphere. The model is described in detail and some of its elementary properties are given ; in particul...
Determinantal point process models on the sphere
DEFF Research Database (Denmark)
Møller, Jesper; Nielsen, Morten; Porcu, Emilio
defined on Sd × Sd . We review the appealing properties of such processes, including their specific moment properties, density expressions and simulation procedures. Particularly, we characterize and construct isotropic DPPs models on Sd , where it becomes essential to specify the eigenvalues......We consider determinantal point processes on the d-dimensional unit sphere Sd . These are finite point processes exhibiting repulsiveness and with moment properties determined by a certain determinant whose entries are specified by a so-called kernel which we assume is a complex covariance function...
Klatt, Michael A.; Torquato, Salvatore
2016-08-01
In the first paper of this series, we introduced Voronoi correlation functions to characterize the structure of maximally random jammed (MRJ) sphere packings across length scales. In the present paper, we determine a variety of different correlation functions that arise in rigorous expressions for the effective physical properties of MRJ sphere packings and compare them to the corresponding statistical descriptors for overlapping spheres and equilibrium hard-sphere systems. Such structural descriptors arise in rigorous bounds and formulas for effective transport properties, diffusion and reactions constants, elastic moduli, and electromagnetic characteristics. First, we calculate the two-point, surface-void, and surface-surface correlation functions, for which we derive explicit analytical formulas for finite hard-sphere packings. We show analytically how the contact Dirac delta function contribution to the pair correlation function g2(r ) for MRJ packings translates into distinct functional behaviors of these two-point correlation functions that do not arise in the other two models examined here. Then we show how the spectral density distinguishes the MRJ packings from the other disordered systems in that the spectral density vanishes in the limit of infinite wavelengths; i.e., these packings are hyperuniform, which means that density fluctuations on large length scales are anomalously suppressed. Moreover, for all model systems, we study and compute exclusion probabilities and pore size distributions, as well as local density fluctuations. We conjecture that for general disordered hard-sphere packings, a central limit theorem holds for the number of points within an spherical observation window. Our analysis links problems of interest in material science, chemistry, physics, and mathematics. In the third paper of this series, we will evaluate bounds and estimates of a host of different physical properties of the MRJ sphere packings that are based on the
Density Fluctuations of Hard-Sphere Fluids in Narrow Confinement
Nygârd, Kim; Sarman, Sten; Hyltegren, Kristin; Chodankar, Shirish; Perret, Edith; Buitenhuis, Johan; van der Veen, J. Friso; Kjellander, Roland
2016-01-01
Spatial confinement induces microscopic ordering of fluids, which in turn alters many of their dynamic and thermodynamic properties. However, the isothermal compressibility has hitherto been largely overlooked in the literature, despite its obvious connection to the underlying microscopic structure and density fluctuations in confined geometries. Here, we address this issue by probing density profiles and structure factors of hard-sphere fluids in various narrow slits, using x-ray scattering from colloid-filled nanofluidic containers and integral-equation-based statistical mechanics at the level of pair distributions for inhomogeneous fluids. Most importantly, we demonstrate that density fluctuations and isothermal compressibilities in confined fluids can be obtained experimentally from the long-wavelength limit of the structure factor, providing a formally exact and experimentally accessible connection between microscopic structure and macroscopic, thermodynamic properties. Our approach will thus, for example, allow direct experimental verification of theoretically predicted enhanced density fluctuations in liquids near solvophobic interfaces.
Density functional for ternary non-additive hard sphere mixtures.
Schmidt, Matthias
2011-10-19
Based on fundamental measure theory, a Helmholtz free energy density functional for three-component mixtures of hard spheres with general, non-additive interaction distances is constructed. The functional constitutes a generalization of the previously given theory for binary non-additive mixtures. The diagrammatic structure of the spatial integrals in both functionals is of star-like (or tree-like) topology. The ternary diagrams possess a higher degree of complexity than the binary diagrams. Results for partial pair correlation functions, obtained via the Ornstein-Zernike route from the second functional derivatives of the excess free energy functional, agree well with Monte Carlo simulation data. © 2011 IOP Publishing Ltd
The Separate Spheres Model of Gendered Inequality.
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Andrea L Miller
Full Text Available Research on role congruity theory and descriptive and prescriptive stereotypes has established that when men and women violate gender stereotypes by crossing spheres, with women pursuing career success and men contributing to domestic labor, they face backlash and economic penalties. Less is known, however, about the types of individuals who are most likely to engage in these forms of discrimination and the types of situations in which this is most likely to occur. We propose that psychological research will benefit from supplementing existing research approaches with an individual differences model of support for separate spheres for men and women. This model allows psychologists to examine individual differences in support for separate spheres as they interact with situational and contextual forces. The separate spheres ideology (SSI has existed as a cultural idea for many years but has not been operationalized or modeled in social psychology. The Separate Spheres Model presents the SSI as a new psychological construct characterized by individual differences and a motivated system-justifying function, operationalizes the ideology with a new scale measure, and models the ideology as a predictor of some important gendered outcomes in society. As a first step toward developing the Separate Spheres Model, we develop a new measure of individuals' endorsement of the SSI and demonstrate its reliability, convergent validity, and incremental predictive validity. We provide support for the novel hypotheses that the SSI predicts attitudes regarding workplace flexibility accommodations, income distribution within families between male and female partners, distribution of labor between work and family spheres, and discriminatory workplace behaviors. Finally, we provide experimental support for the hypothesis that the SSI is a motivated, system-justifying ideology.
The Separate Spheres Model of Gendered Inequality.
Miller, Andrea L; Borgida, Eugene
2016-01-01
Research on role congruity theory and descriptive and prescriptive stereotypes has established that when men and women violate gender stereotypes by crossing spheres, with women pursuing career success and men contributing to domestic labor, they face backlash and economic penalties. Less is known, however, about the types of individuals who are most likely to engage in these forms of discrimination and the types of situations in which this is most likely to occur. We propose that psychological research will benefit from supplementing existing research approaches with an individual differences model of support for separate spheres for men and women. This model allows psychologists to examine individual differences in support for separate spheres as they interact with situational and contextual forces. The separate spheres ideology (SSI) has existed as a cultural idea for many years but has not been operationalized or modeled in social psychology. The Separate Spheres Model presents the SSI as a new psychological construct characterized by individual differences and a motivated system-justifying function, operationalizes the ideology with a new scale measure, and models the ideology as a predictor of some important gendered outcomes in society. As a first step toward developing the Separate Spheres Model, we develop a new measure of individuals' endorsement of the SSI and demonstrate its reliability, convergent validity, and incremental predictive validity. We provide support for the novel hypotheses that the SSI predicts attitudes regarding workplace flexibility accommodations, income distribution within families between male and female partners, distribution of labor between work and family spheres, and discriminatory workplace behaviors. Finally, we provide experimental support for the hypothesis that the SSI is a motivated, system-justifying ideology.
Hard spheres at a planar hard wall: Simulations and density functional theory
Directory of Open Access Journals (Sweden)
R.L. Davidchack
2016-03-01
Full Text Available Hard spheres are a central and important model reference system for both homogeneous and inhomogeneous fluid systems. In this paper we present new high-precision molecular-dynamics computer simulations for a hard sphere fluid at a planar hard wall. For this system we present benchmark data for the density profile ρ(z at various bulk densities, the wall surface free energy γ, the excess adsorption Γ, and the excess volume v_{ex}, which is closely related to Γ. We compare all benchmark quantities with predictions from state-of-the-art classical density functional theory calculations within the framework of fundamental measure theory. While we find overall good agreement between computer simulations and theory, significant deviations appear at sufficiently high bulk densities.
Hydration entropy change from the hard sphere model.
Graziano, Giuseppe; Lee, Byungkook
2002-12-10
The gas to liquid transfer entropy change for a pure non-polar liquid can be calculated quite accurately using a hard sphere model that obeys the Carnahan-Starling equation of state. The same procedure fails to produce a reasonable value for hydrogen bonding liquids such as water, methanol and ethanol. However, the size of the molecules increases when the hydrogen bonds are turned off to produce the hard sphere system and the volume packing density rises. We show here that the hard sphere system that has this increased packing density reproduces the experimental transfer entropy values rather well. The gas to water transfer entropy values for small non-polar hydrocarbons is also not reproduced by a hard sphere model, whether one uses the normal (2.8 A diameter) or the increased (3.2 A) size for water. At least part of the reason that the hard sphere model with 2.8 A size water produces too small entropy change is that the size of water is too small for a system without hydrogen bonds. The reason that the 3.2 A model also produces too small entropy values is that this is an overly crowded system and that the free volume introduced in the system by the addition of a solute molecule produces too much of a relief to this crowding. A hard sphere model, in which the free volume increase is limited by requiring that the average surface-to-surface distance between the solute and water molecules is the same as that between the increased-size water molecules, does approximately reproduce the experimental hydration entropy values.
Soft-sphere model for liquid metals
Energy Technology Data Exchange (ETDEWEB)
Young, D.A.
1977-11-08
A semi-empirical soft-sphere model of fluids is modified for application to the thermodynamic properties of liquid metals. Enthalpy, volume, and sound speed are computed as functions of temperature for 13 metals and compared with experimental data. Critical points and coexistence curves are also computed and compared with experimental data, where these have been measured. Strengths and weaknesses of the model are discussed.
Thermodynamic properties of lattice hard-sphere models.
Panagiotopoulos, A Z
2005-09-08
Thermodynamic properties of several lattice hard-sphere models were obtained from grand canonical histogram- reweighting Monte Carlo simulations. Sphere centers occupy positions on a simple cubic lattice of unit spacing and exclude neighboring sites up to a distance sigma. The nearestneighbor exclusion model, sigma = radical2, was previously found to have a second-order transition. Models with integer values of sigma = 1 or 2 do not have any transitions. Models with sigma = radical3 and sigma = 3 have weak first-order fluid-solid transitions while those with sigma = 2 radical2, 2 radical3, and 3 radical2 have strong fluid-solid transitions. Pressure, chemical potential, and density are reported for all models and compared to the results for the continuum, theoretical predictions, and prior simulations when available.
Duignan, Timothy T.; Baer, Marcel D.; Schenter, Gregory K.; Mundy, Chistopher J.
2017-10-01
Determining the solvation free energies of single ions in water is one of the most fundamental problems in physical chemistry and yet many unresolved questions remain. In particular, the ability to decompose the solvation free energy into simple and intuitive contributions will have important implications for models of electrolyte solution. Here, we provide definitions of the various types of single ion solvation free energies based on different simulation protocols. We calculate solvation free energies of charged hard spheres using density functional theory interaction potentials with molecular dynamics simulation and isolate the effects of charge and cavitation, comparing to the Born (linear response) model. We show that using uncorrected Ewald summation leads to unphysical values for the single ion solvation free energy and that charging free energies for cations are approximately linear as a function of charge but that there is a small non-linearity for small anions. The charge hydration asymmetry for hard spheres, determined with quantum mechanics, is much larger than for the analogous real ions. This suggests that real ions, particularly anions, are significantly more complex than simple charged hard spheres, a commonly employed representation.
Fluid of fused spheres as a model for protein solution
Directory of Open Access Journals (Sweden)
M. Kastelic
2016-03-01
Full Text Available In this work we examine thermodynamics of fluid with "molecules" represented by two fused hard spheres, decorated by the attractive square-well sites. Interactions between these sites are of short-range and cause association between the fused-sphere particles. The model can be used to study the non-spherical (or dimerized proteins in solution. Thermodynamic quantities of the system are calculated using a modification of Wertheim's thermodynamic perturbation theory and the results compared with new Monte Carlo simulations under isobaric-isothermal conditions. In particular, we are interested in the liquid-liquid phase separation in such systems. The model fluid serves to evaluate the effect of the shape of the molecules, changing from spherical to more elongated (two fused spheres ones. The results indicate that the effect of the non-spherical shape is to reduce the critical density and temperature. This finding is consistent with experimental observations for the antibodies of non-spherical shape.
Beyond Kaiser bias: mildly non-linear two-point statistics of densities in distant spheres
Uhlemann, C; Kim, J; Pichon, C; Bernardeau, F; Pogosyan, D; Park, C; L'Huillier, B
2016-01-01
Simple parameter-free analytic bias functions for the two-point correlation of densities in spheres at large separation are presented. These bias functions generalize the so-called Kaiser bias to the mildly non-linear regime for arbitrary density contrasts. The derivation is carried out in the context of large deviation statistics while relying on the spherical collapse model. A logarithmic transformation provides a saddle approximation which is valid for the whole range of densities and shown to be accurate against the 30 Gpc cube state-of-the-art Horizon Run 4 simulation. Special configurations of two concentric spheres that allow to identify peaks are employed to obtain the conditional bias and a proxy to BBKS extrema correlation functions. These analytic bias functions should be used jointly with extended perturbation theory to predict two-point clustering statistics as they capture the non-linear regime of structure formation at the percent level down to scales of about 10 Mpc/h at redshift 0. Conversely...
Beyond Kaiser bias: mildly non-linear two-point statistics of densities in distant spheres
Uhlemann, C.; Codis, S.; Kim, J.; Pichon, C.; Bernardeau, F.; Pogosyan, D.; Park, C.; L'Huillier, B.
2017-04-01
We present simple parameter-free analytic bias functions for the two-point correlation of densities in spheres at large separation. These bias functions generalize the so-called Kaiser bias to the mildly non-linear regime for arbitrary density contrasts and grow as b(ρ) - b(1) ∝ (1 - ρ-13/21)ρ1 + n/3 with b(1) = -4/21 - n/3 for a power-law initial spectrum with index n. We carry out the derivation in the context of large-deviation statistics while relying on the spherical collapse model. We use a logarithmic transformation that provides a saddle-point approximation that is valid for the whole range of densities and show its accuracy against the 30 Gpc cube state-of-the-art Horizon Run 4 simulation. Special configurations of two concentric spheres that allow us to identify peaks are employed to obtain the conditional bias and a proxy for the BBKS extremum correlation functions. These analytic bias functions should be used jointly with extended perturbation theory to predict two-point clustering statistics as they capture the non-linear regime of structure formation at the per cent level down to scales of about 10 Mpc h-1 at redshift 0. Conversely, the joint statistics also provide us with optimal dark matter two-point correlation estimates that can be applied either universally to all spheres or to a restricted set of biased (over- or underdense) pairs. Based on a simple fiducial survey, we show that the variance of this estimator is reduced by five times relative to the traditional sample estimator for the two-point function. Extracting more information from correlations of different types of objects should prove essential in the context of upcoming surveys like Euclid, DESI and WFIRST.
Density Functional Theory Approach for Charged Hard Sphere Fluids Confined in Spherical Micro-Cavity
Institute of Scientific and Technical Information of China (English)
KANG Yan-Shuang; WANG Hai-Jun
2009-01-01
Within the framework of the density functional theory for classical fluids,the equilibrium density profiles of charged hard sphere fluid confined in micro-cavity are studied by means of the modified fundamental measure theory.The dimension of micro-cavity,the charge of hard sphere and the applied electric field are found to have significant effects on the density profiles.In particular,it is shown that Coulomb interaction,excluded volume interaction and applied electric Geld play the central role in controlling the aggregated structure of the system.
The influence of third-order interactions on the density profile of associating hard spheres
Henderson, D.; Sokolowski, S.; Zagorski, R.; Trokhymchuk, A.
Canonical ensemble Monte Carlo simulations and the non-uniform Percus-Yevick (NPY) equation for the local density are used to study the influence of surface mediated thirdorder interactions on the adsorption of associating hard spheres on a hard wall. A comparison of the NPY density profiles with the computer simulations data indicates that this approximation predicts the fluid structure reasonably well.
Improved model for mixtures of polymers and hard spheres
D'Adamo, Giuseppe; Pelissetto, Andrea
2016-12-01
Extensive Monte Carlo simulations are used to investigate how model systems of mixtures of polymers and hard spheres approach the scaling limit. We represent polymers as lattice random walks of length L with an energy penalty w for each intersection (Domb-Joyce model), interacting with hard spheres of radius R c via a hard-core pair potential of range {{R}\\text{mon}}+{{R}c} , where R mon is identified as the monomer radius. We show that the mixed polymer-colloid interaction gives rise to new confluent corrections. The leading ones scale as {{L}-ν} , where ν ≈ 0.588 is the usual Flory exponent. Finally, we determine optimal values of the model parameters w and R mon that guarantee the absence of the two leading confluent corrections. This improved model shows a significantly faster convergence to the asymptotic limit L\\to ∞ and is amenable for extensive and accurate numerical simulations at finite density, with only a limited computational effort.
Monodisperse TiO2 Spheres with High Charge Density and Their Self-Assembly.
Xia, Hongbo; Wu, Suli; Su, Xin; Zhang, Shufen
2017-01-03
Titanium dioxide (TiO2 ) spheres are potential candidates to fabricate three-dimensional (3D) photonic crystals owing to their high refractive index and low absorption in the visible and near-infrared regions. Here, TiO2 spheres with both high surface charge density and uniform size, which are necessary for the self-assembly of TiO2 spheres, have been prepared by means of sol-gel methods in ethanol in the presence of thioglycolic acid as ligand. Thioglycolic acid, which contains two functional groups, not only acts as coordinating ligand for stabilizing and controlling the growth of TiO2 spheres but also endows the resulting TiO2 spheres with high charge density as based on ζ-potential analysis when the pH of the TiO2 aqueous dispersion was 6.5 or higher. The SEM images illustrate that the diameter of the prepared TiO2 spheres can be tuned from 100 to 300 nm by simply controlling the concentration of H2 O. FTIR spectra confirm that thioglycolic acid bonded to the surface of TiO2 spheres through carboxylic groups. As anticipated, the obtained TiO2 spheres could self-assemble to form a 3D opal photonic crystal structure by means of a simple gravity sedimentation method. Then the TiO2 spheres in the 3D opal photonic crystal structure were able to transform into a pure anatase phase by annealing at different temperatures.
Modelling Priorities of Financial Provision of the Social Sphere
Directory of Open Access Journals (Sweden)
Mamonova Hanna V.
2014-01-01
Full Text Available The article studies the modern state of the social sphere and conducts modelling of priorities of financial provision of the social sphere at the state level. Social sphere should be considered as the basis of development of the national economy. The goal of this article is the study of the modern state and modelling priorities of financial provision of the social sphere at the state level. The subject of the study is modelling priority directions of financial provision of components of the social sphere. Taking into account fast changes in the social sphere of the country and regular increase of social standards, the article identifies a necessity of changing priorities of the social policy, first of all, problems of financing the social sphere and formation of priority directions on improvement of this system. The article shows that the main problems of financial provision of the social sphere are: insufficient volumes of budget funds for financing the social sphere, financing practically all items of social expenditures in a smaller volume than it is required for the existing social support of the population and absence of mechanisms of ensuring quality of social services. The article offers to use the hierarchy analysis method for identifying immediate and priority directions of financing components of the social sphere. On the basis of the built directed communication graph the article presents a binary matrix of dependence of components of the social sphere and builds a hierarchy model of these components. As a result it is seen that the highest level of hierarchy is taken by science, then healthcare and social sphere are at the same level, then education, sports and at the lowest level are culture and art. The obtained results could be used when improving financing of the social sphere. In order to ensure efficiency of functioning of the social sphere it is necessary to improve the system of financing of its components on the basis of use
Energy Technology Data Exchange (ETDEWEB)
Ramirez, D., E-mail: daniel.ramirez@ucv.c [Laboratorio de Electroquimica, Pontificia Universidad Catolica de Valparaiso, Valparaiso (Chile); Gomez, H. [Laboratorio de Electroquimica, Pontificia Universidad Catolica de Valparaiso, Valparaiso (Chile); Lincot, D. [Institute de Recherche et Developpement sur l' Energie Photovoltaique-IRDEP, 6 Quai Watier 78401, Chatou Cedex (France)
2010-02-15
In this paper we report the zinc oxide nanorods (ZnO NRs) growth by electrochemical deposition onto polycrystalline gold electrodes modified with assemblies of polystyrene sphere monolayers (PSSMs). Growth occurs through the interstitial spaces between the hexagonally close packed spheres. ZnO NRs nucleate in the region where three adjacent spheres leave a space, being able to grow and projected over the PSSMs. The nanorod surface density (N{sub NR}) shows a linear dependence with respect to a PS sphere diameter selected. XRD analysis shows these ZnO NRs are highly oriented along the (0 0 2) plane (c-axis). This open the possibility to have electronic devices with mechanically supported nanometric materials.
Simulations of a supersymmetry inspired model on a fuzzy sphere
Energy Technology Data Exchange (ETDEWEB)
Volkholz, J. [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik; Bietenholz, W. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC
2007-11-15
We present a numerical study of a two dimensional model of the Wess-Zumino type. We formulate this model on a sphere, where the fields are expanded in spherical harmonics. The sphere becomes fuzzy by a truncation in the angular momenta. This leads to a finite set of degrees of freedom without explicitly breaking the space symmetries. The corresponding field theory is expressed in terms of a matrix model, which can be simulated. We present first numerical results for the phase structure of a variant of this model on a fuzzy sphere. The prospect to restore exact supersymmetry in certain limits is under investigation. (orig.)
Institute of Scientific and Technical Information of China (English)
李卫华; 诸蔚朝; 马红孺
2003-01-01
One component hard-sphere fluid confined in two planar hard walls is studied by means of density functional theory with Rosenfeld functional and molecular dynamics simulation. The validity of the Rosenfeld functional is examined. Chemical potential, grand potential and free energy as functions of the wall separation are obtained.
Covariant 4-dimensional fuzzy spheres, matrix models and higher spin
Sperling, Marcus; Steinacker, Harold C.
2017-09-01
We study in detail generalized 4-dimensional fuzzy spheres with twisted extra dimensions. These spheres can be viewed as SO(5) -equivariant projections of quantized coadjoint orbits of SO(6) . We show that they arise as solutions in Yang-Mills matrix models, which naturally leads to higher-spin gauge theories on S 4. Several types of embeddings in matrix models are found, including one with self-intersecting fuzzy extra dimensions \
A generalized hard-sphere model for Monte Carlo simulation
Hassan, H. A.; Hash, David B.
1993-01-01
A new molecular model, called the generalized hard-sphere, or GHS model, is introduced. This model contains, as a special case, the variable hard-sphere model of Bird (1981) and is capable of reproducing all of the analytic viscosity coefficients available in the literature that are derived for a variety of interaction potentials incorporating attraction and repulsion. In addition, a new procedure for determining interaction potentials in a gas mixture is outlined. Expressions needed for implementing the new model in the direct simulation Monte Carlo methods are derived. This development makes it possible to employ interaction models that have the same level of complexity as used in Navier-Stokes calculations.
Institute of Scientific and Technical Information of China (English)
周世琦
2003-01-01
Based on the functional integral procedure, a recently proposed bridge density function [J. Chem. Phys. 112 (2000) 8079] is developed to calculate global thermodynamic properties of non-uniform fluids. The resulting surface tension of a hard wall-hard sphere interface as a function of the bulk hard sphere fluid density is in good agreement with the available simulation data. The proposed numerical procedure from the approximation of non-uniform first=order direct correlation function to a non=uniform system with excess Helmholtz free energy is of fundamental importance for phase behaviour under the confined condition due to the fact that many available simple approximations in classical density functional theory are for non=uniform first=order direct correlation function.
Combined temperature and density series for fluid-phase properties. I. Square-well spheres
Energy Technology Data Exchange (ETDEWEB)
Elliott, J. Richard [Chemical and Biomolecular Engineering Department, The University of Akron, Akron, Ohio 44325-3906 (United States); Schultz, Andrew J.; Kofke, David A. [Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, New York 14260-4200 (United States)
2015-09-21
Cluster integrals are evaluated for the coefficients of the combined temperature- and density-expansion of pressure: Z = 1 + B{sub 2}(β) η + B{sub 3}(β) η{sup 2} + B{sub 4}(β) η{sup 3} + ⋯, where Z is the compressibility factor, η is the packing fraction, and the B{sub i}(β) coefficients are expanded as a power series in reciprocal temperature, β, about β = 0. The methodology is demonstrated for square-well spheres with λ = [1.2-2.0], where λ is the well diameter relative to the hard core. For this model, the B{sub i} coefficients can be expressed in closed form as a function of β, and we develop appropriate expressions for i = 2-6; these expressions facilitate derivation of the coefficients of the β series. Expanding the B{sub i} coefficients in β provides a correspondence between the power series in density (typically called the virial series) and the power series in β (typically called thermodynamic perturbation theory, TPT). The coefficients of the β series result in expressions for the Helmholtz energy that can be compared to recent computations of TPT coefficients to fourth order in β. These comparisons show good agreement at first order in β, 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 β. With selection of an appropriate approximant, the treatment of Helmholtz energy that is second order in β 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.
Combined temperature and density series for fluid-phase properties. I. Square-well spheres
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(β) η + B3(β) η2 + B4(β) η3 + ⋯, where Z is the compressibility factor, η is the packing fraction, and the Bi(β) coefficients are expanded as a power series in reciprocal temperature, β, about β = 0. The methodology is demonstrated for square-well spheres with λ = [1.2-2.0], where λ 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 β, and we develop appropriate expressions for i = 2-6; these expressions facilitate derivation of the coefficients of the β series. Expanding the Bi coefficients in β provides a correspondence between the power series in density (typically called the virial series) and the power series in β (typically called thermodynamic perturbation theory, TPT). The coefficients of the β series result in expressions for the Helmholtz energy that can be compared to recent computations of TPT coefficients to fourth order in β. These comparisons show good agreement at first order in β, 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 β. With selection of an appropriate approximant, the treatment of Helmholtz energy that is second order in β 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.
Disordered strictly jammed binary sphere packings attain an anomalously large range of densities.
Hopkins, Adam B; Stillinger, Frank H; Torquato, Salvatore
2013-08-01
Previous attempts to simulate disordered binary sphere packings have been limited in producing mechanically stable, isostatic packings across a broad spectrum of packing fractions. Here we report that disordered strictly jammed binary packings (packings that remain mechanically stable under general shear deformations and compressions) can be produced with an anomalously large range of average packing fractions 0.634≤φ≤0.829 for small to large sphere radius ratios α restricted to α≥0.100. Surprisingly, this range of average packing fractions is obtained for packings containing a subset of spheres (called the backbone) that are exactly strictly jammed, exactly isostatic, and also generated from random initial conditions. Additionally, the average packing fractions of these packings at certain α and small sphere relative number concentrations x approach those of the corresponding densest known ordered packings. These findings suggest for entropic reasons that these high-density disordered packings should be good glass formers and that they may be easy to prepare experimentally. We also identify an unusual feature of the packing fraction of jammed backbones (packings with rattlers excluded). The backbone packing fraction is about 0.624 over the majority of the α-x plane, even when large numbers of small spheres are present in the backbone. Over the (relatively small) area of the α-x plane where the backbone is not roughly constant, we find that backbone packing fractions range from about 0.606 to 0.829, with the volume of rattler spheres comprising between 1.6% and 26.9% of total sphere volume. To generate isostatic strictly jammed packings, we use an implementation of the Torquato-Jiao sequential linear programming algorithm [Phys. Rev. E 82, 061302 (2010)], which is an efficient producer of inherent structures (mechanically stable configurations at the local maxima in the density landscape). The identification and explicit construction of binary packings
Density functional theory for colloidal mixtures of hard platelets, rods, and spheres.
Esztermann, Ansgar; Reich, Hendrik; Schmidt, Matthias
2006-01-01
A geometry-based density-functional theory is presented for mixtures of hard spheres, hard needles, and hard platelets; both the needles and platelets are taken to be of vanishing thickness. Geometrical weight functions that are characteristic for each species are given, and it is shown how convolutions of pairs of weight functions recover each Mayer bond of the ternary mixture and hence ensure the correct second virial expansion of the excess free-energy functional. The case of sphere-platelet overlap relies on the same approximation as does Rosenfeld's functional for strictly two-dimensional hard disks. We explicitly control contributions to the excess free energy that are of third order in density. Analytic expressions relevant for the application of the theory to states with planar translational and cylindrical rotational symmetry--e.g., to describe behavior at planar smooth walls--are given. For binary sphere-platelet mixtures, in the appropriate limit of small platelet densities, the theory differs from that used in a recent treatment [L. Harnau and S. Dietrich, Phys. Rev. E 71, 011504 (2004)]. As a test case of our approach we consider the isotropic-nematic bulk transition of pure hard platelets, which we find to be weakly first order, with values for the coexistence densities and the nematic order parameter that compare well with simulation results.
Mitarai, Namiko; Nakanishi, Hiizu
2002-01-01
Dynamical behavior of steady granular flow is investigated numerically in the inelastic hard sphere limit of the soft sphere model. We find distinctively different limiting behaviors for the two flow regimes, i.e., the collisional flow and the frictional flow. In the collisional flow, the hard sphere limit is straightforward; the number of collisions per particle per unit time converges to a finite value and the total contact time fraction with other particles goes to zero. For the frictional...
Jammed lattice sphere packings
Kallus, Yoav; Marcotte, Étienne; Torquato, Salvatore
2013-01-01
We generate and study an ensemble of isostatic jammed hard-sphere lattices. These lattices are obtained by compression of a periodic system with an adaptive unit cell containing a single sphere until the point of mechanical stability. We present detailed numerical data about the densities, pair correlations, force distributions, and structure factors of such lattices. We show that this model retains many of the crucial structural features of the classical hard-sphere model and propose it as a...
Simulations of a supersymmetry inspired model on a fuzzy sphere
2008-01-01
We present a numerical study of a two dimensional model of the Wess-Zumino type. We formulate this model on a sphere, where the fields are expanded in spherical harmonics. The sphere becomes fuzzy by a truncation in the angular momenta. This leads to a finite set of degrees of freedom without explicitly breaking the space symmetries. The corresponding field theory is expressed in terms of a matrix model, which can be simulated. We present first numerical results for the phase structure of a v...
Extended hard-sphere model and collisions of cohesive particles.
Kosinski, Pawel; Hoffmann, Alex C
2011-09-01
In two earlier papers the present authors modified a standard hard-sphere particle-wall and particle-particle collision model to account for the presence of adhesive or cohesive interaction between the colliding particles: the problem is of importance for modeling particle-fluid flow using the Lagrangian approach. This technique, which involves a direct numerical simulation of such flows, is gaining increasing popularity for simulating, e.g., dust transport, flows of nanofluids and grains in planetary rings. The main objective of the previous papers was to formally extend the impulse-based hard-sphere model, while suggestions for quantifications of the adhesive or cohesive interaction were made. This present paper gives an improved quantification of the adhesive and cohesive interactions for use in the extended hard-sphere model for cases where the surfaces of the colliding bodies are "dry," e.g., there is no liquid-bridge formation between the colliding bodies. This quantification is based on the Johnson-Kendall-Roberts (JKR) analysis of collision dynamics but includes, in addition, dissipative forces using a soft-sphere modeling technique. In this way the cohesive impulse, required for the hard-sphere model, is calculated together with other parameters, namely the collision duration and the restitution coefficient. Finally a dimensional analysis technique is applied to fit an analytical expression to the results for the cohesive impulse that can be used in the extended hard-sphere model. At the end of the paper we show some simulation results in order to illustrate the model.
Small-angle scattering from precipitates: Analysis by use of a polydisperse hard-sphere model
DEFF Research Database (Denmark)
Pedersen, J.S.
1993-01-01
A general polydisperse hard-sphere model for analyzing small-angle-scattering data from spherical precipitates in alloys is presented. In the model the size distribution is chosen as a Weibull density distribution and the hard-sphere interaction radius is taken as being proportional to the radius...... very good fits to the experimental data and the results are in agreement with a Li content of 25% in the precipitates. The concentration of Li in the matrix is also in good agreement with the phase diagram of Al-Li found in the literature. Results from the application of a monodisperse hard-sphere...... of the precipitates. The Weibull distribution is monomodal, and depending on the parameters describing the distribution, it can skew to either side. Small-angle x-ray- and neutron-scattering data, taken from the literature, from spherical delta' precipitates in Al-Li alloys have been analyzed with the model. It gives...
Radial distribution function of penetrable sphere fluids to the second order in density.
Santos, Andrés; Malijevský, Alexandr
2007-02-01
The simplest bounded potential is that of penetrable spheres, which takes a positive finite value epsilon if the two spheres are overlapped, being zero otherwise. In this paper we derive the cavity function to second order in density and the fourth virial coefficient as functions of T* identical with k(B)T/epsilon (where k(B is the Boltzmann constant and T is the temperature) for penetrable sphere fluids. The expressions are exact, except for the function represented by an elementary diagram inside the core, which is approximated by a polynomial form in excellent agreement with accurate results obtained by Monte Carlo integration. Comparison with the hypernetted-chain (HNC) and Percus-Yevick (PY) theories shows that the latter is better than the former for T* hard sphere limit), the PY solution is not accurate inside the overlapping region, where no practical cancellation of the neglected diagrams takes place. The exact fourth virial coefficient is positive for T* compressibility route is the best one for T* or similar to 0.7.
Monte Carlo Simulations of Density Profiles for Hard-Sphere Chain Fluids Confined Between Surfaces
Institute of Scientific and Technical Information of China (English)
无
2001-01-01
Covering a wide range of bulk densities, density profiles for hard-sphere chain fluids (HSCFs) with chain length of 3,4,8,20,32 and 64 confined between two surfaces were obtained by Monte Carlo simulations using extended continuum configurational-bias (ECCB) method. It is shown that the enrichment of beads near surfaces is happened at high densities due to the bulk packing effect, on the contrary, the depletion is revealed at low densities owing to the configurational entropic contribution. Comparisons with those calculated by density functional theory presented by Cai et al. indicate that the agreement between simulations and predictions is good. Compressibility factors of bulk HSCFs calculated using volume fractions at surfaces were also used to test the reliability of various equations of state of HSCFs by different authors.
Uhlemann, Cora; Hahn, Oliver; Pichon, Christophe; Bernardeau, Francis
2016-01-01
The analytical formalism to obtain the probability distribution functions (PDFs) of spherically-averaged cosmic densities and velocity divergences in the mildly non-linear regime is presented. A large-deviation principle is applied to those cosmic fields assuming their most likely dynamics in spheres is set by the spherical collapse model. We validate our analytical results using state-of-the-art dark matter simulations with a phase-space resolved velocity field finding a 2% percent level agreement for a wide range of velocity divergences and densities in the mildly nonlinear regime (~10Mpc/h at redshift zero), usually inaccessible to perturbation theory. From the joint PDF of densities and velocity divergences measured in two concentric spheres, we extract with the same accuracy velocity profiles and conditional velocity PDF subject to a given over/under-density which are of interest to understand the non-linear evolution of velocity flows. Both PDFs are used to build a simple but accurate maximum likelihood...
Uniform electron gases: III. Low-density gases on three-dimensional spheres
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 ...
Uniform electron gases. III. Low-density gases on three-dimensional spheres
Energy Technology Data Exchange (ETDEWEB)
Agboola, Davids; Knol, Anneke L.; Gill, Peter M. W., E-mail: peter.gill@anu.edu.au; Loos, Pierre-François, E-mail: pf.loos@anu.edu.au [Research School of Chemistry, Australian National University, Canberra ACT 2601 (Australia)
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.
Population Density Modeling Tool
2014-02-05
194 POPULATION DENSITY MODELING TOOL by Davy Andrew Michael Knott David Burke 26 June 2012 Distribution...MARYLAND NAWCADPAX/TR-2012/194 26 June 2012 POPULATION DENSITY MODELING TOOL by Davy Andrew Michael Knott David Burke...Density Modeling Tool 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) Davy Andrew Michael Knott David Burke 5d. PROJECT NUMBER
User Modeling and Personalization in the Microblogging Sphere
Gao, Q.
2013-01-01
Microblogging has become a popular mechanism for people to publish, share, and propagate information on the Web. The massive amount of digital traces that people have left in the microblogging sphere, creates new possibilities and poses challenges for user modeling and personalization. How can
Franke, Markus; Golde, Sebastian; Schöpe, Hans Joachim
2014-08-07
We investigated the process of vitrification and crystallization in a model system of colloidal hard spheres. The kinetics of the solidification process was measured using time resolved static light scattering, while the time evolution of the dynamic properties was determined using time resolved dynamic light scattering. By performing further analysis we confirm that solidification of hard sphere colloids is mediated by precursors. Analyzing the dynamic properties we can show that the long time dynamics and thus the shear rigidity of the metastable melt is highly correlated with the number density of solid clusters (precursors) nucleated. In crystallization these objects convert into highly ordered crystals whereas in the case of vitrification this conversion is blocked and the system is (temporarily) locked in the metastable precursor state. From the early stages of solidification one cannot clearly conclude whether the melt will crystallize or vitrify. Furthermore our data suggests that colloidal hard sphere glasses can crystallize via homogeneous nucleation.
Fundamental measure density functional theory study of hard spheres solid-liquid interface
Warshavsky, Vadim
2005-03-01
Interfacial free energy is an important characteristic of solid-liquid interface as it is one of the crucial parameters in many formula of interface thermodynamics such the nucleation theory. Previously different aspects of crystal-melt interfaces were intensively studied with simulations [1,2,3], but theoretical studies with Density Functional Theories (DFT) are inconclusive [4,5]. In this report the structure of hard spheres fcc crystal-melt interfaces and the anisotropy of the interfacial free energies are studied using the Rosenfeld's Fundamental Measure DFT as such a functional leads to reliable coexistence results not only for the hard sphere system but also for the Lennard-Jones systems [6]. The parameters of interfacial density profile were calculated by a proper minimization procedure. For the equilibrium density profile the interfacial free energies were compared with simulation results. 1. R.L.Davidchak and B.B.Laird, Phys.Rev.Lett., 85, 4751(2000). 2. J.J. Hoyt, M. Asta and A. Karma, Phys.Rev.Lett., 86, 5530 (2001). 3. J.R.Morris and X.Song, J.Chem.Phys., 119, 3920 (2003). 4. W.A.Curtin, Phys.Rev.B, 39, 6775(1989). 5. R.Ohnesorge, H.Lowen, and H.Wagner, Phys.Rev.E, 50, 4801 (1994). 6. V.Warshavsky and X.Song, Phys.Rev.E, 69, 061113 (2004).
Rescaled density expansions and demixing in hard-sphere binary mixtures.
López de Haro, M; Tejero, C F
2004-10-08
The demixing transition of a binary fluid mixture of additive hard spheres is analyzed for different size asymmetries by starting from the exact low-density expansion of the pressure. Already within the second virial approximation the fluid separates into two phases of different composition with a lower consolute critical point. By successively incorporating the third, fourth, and fifth virial coefficients, the critical consolute point moves to higher values of the pressure and to lower values of the partial number fraction of the large spheres. When the exact low-density expansion of the pressure is rescaled to higher densities as in the Percus-Yevick theory, by adding more exact virial coefficients a different qualitative movement of the critical consolute point in the phase diagram is found. It is argued that the Percus-Yevick factor appearing in many empirical equations of state for the mixture has a deep influence on the location of the critical consolute point, so that the resulting phase diagram for a prescribed equation has to be taken with caution.
Ikuta, Daijo; Kono, Yoshio; Shen, Guoyin
2016-10-01
The structure of liquid aluminum is measured up to 6.9 GPa and 1773 K using a multi-angle energy-dispersive X-ray diffraction method in a Paris-Edinburgh press. The effect of pressure and temperature on the structure and density of liquid aluminum is analyzed by means of the hard sphere model. Peak positions in the structure factor of liquid aluminum show a nearly constant value with varying temperatures at ˜1-2 GPa and slightly change with varying pressures up to 6.9 GPa at 1173-1773 K. In contrast, the height of the first peak in the structure factor significantly changes with varying pressures and temperatures. Hard sphere model analysis shows that the structure of liquid aluminum in the pressure-temperature range of this study is controlled mostly by the packing fraction with only a minor change in hard sphere diameters. The obtained packing fractions and hard sphere diameters are used to calculate densities of liquid aluminum at high pressure-temperature conditions.
Frustrated spin model as a hard-sphere liquid.
Mostovoy, M V; Khomskii, D I; Knoester, J; Prokof'ev, N V
2003-04-11
We show that one-dimensional topological objects (kinks) are natural degrees of freedom for an antiferromagnetic Ising model on a triangular lattice. Its ground states and the coexistence of spin ordering with an extensive zero-temperature entropy can easily be understood in terms of kinks forming a hard-sphere liquid. Using this picture we explain effects of quantum spin dynamics on that frustrated model, which we also study numerically.
Uhlemann, C.; Codis, S.; Hahn, O.; Pichon, C.; Bernardeau, F.
2017-08-01
The analytical formalism to obtain the probability distribution functions (PDFs) of spherically averaged cosmic densities and velocity divergences in the mildly non-linear regime is presented. A large-deviation principle is applied to those cosmic fields assuming their most likely dynamics in spheres is set by the spherical collapse model. We validate our analytical results using state-of-the-art dark matter simulations with a phase-space resolved velocity field finding a 2 per cent level agreement for a wide range of velocity divergences and densities in the mildly non-linear regime (∼10 Mpc h-1 at redshift zero), usually inaccessible to perturbation theory. From the joint PDF of densities and velocity divergences measured in two concentric spheres, we extract with the same accuracy velocity profiles and conditional velocity PDF subject to a given over/underdensity that are of interest to understand the non-linear evolution of velocity flows. Both PDFs are used to build a simple but accurate maximum likelihood estimator for the redshift evolution of the variance of both the density and velocity divergence fields, which have smaller relative errors than their sample variances when non-linearities appear. Given the dependence of the velocity divergence on the growth rate, there is a significant gain in using the full knowledge of both PDFs to derive constraints on the equation of state-of-dark energy. Thanks to the insensitivity of the velocity divergence to bias, its PDF can be used to obtain unbiased constraints on the growth of structures (σ8, f) or it can be combined with the galaxy density PDF to extract bias parameters.
Shells of charge: a density functional theory for charged hard spheres.
Roth, Roland; Gillespie, Dirk
2016-06-22
A functional for the electrostatic excess free-energy for charged, hard sphere fluids is proposed. The functional is derived from two complementary, but equivalent, interpretations of the mean spherical approximation (MSA). The first combines fundamental measure theory (FMT) from hard-core interactions with the idea that MSA can be interpreted in terms of the interaction spherical shells of charge. This formulation gives the free-energy density as a function of weighted densities. When all the ions have the same size, the functional adopts an FMT-like form. The second in effect 'functionalizes' the derivation of MSA; that is, it generalizes the MSA as a functional-based version of MSA (fMSA). This formulation defines the free-energy density as a function of a position-dependent MSA screening parameter and the weighted densities of the FMT approach. This FMT/fMSA functional is shown to give accurate density profiles, as compared to Monte Carlo simulations, under a wide range of ion concentrations, size asymmetries, and valences.
Shells of charge: a density functional theory for charged hard spheres
Roth, Roland; Gillespie, Dirk
2016-06-01
A functional for the electrostatic excess free-energy for charged, hard sphere fluids is proposed. The functional is derived from two complementary, but equivalent, interpretations of the mean spherical approximation (MSA). The first combines fundamental measure theory (FMT) from hard-core interactions with the idea that MSA can be interpreted in terms of the interaction spherical shells of charge. This formulation gives the free-energy density as a function of weighted densities. When all the ions have the same size, the functional adopts an FMT-like form. The second in effect ‘functionalizes’ the derivation of MSA; that is, it generalizes the MSA as a functional-based version of MSA (fMSA). This formulation defines the free-energy density as a function of a position-dependent MSA screening parameter and the weighted densities of the FMT approach. This FMT/fMSA functional is shown to give accurate density profiles, as compared to Monte Carlo simulations, under a wide range of ion concentrations, size asymmetries, and valences.
Mitarai, Namiko; Nakanishi, Hiizu
2003-02-01
Dynamical behavior of steady granular flow is investigated numerically in the inelastic hard-sphere limit of the soft-sphere model. We find distinctively different limiting behaviors for the two flow regimes, i.e., the collisional flow and the frictional flow. In the collisional flow, the hard-sphere limit is straightforward; the number of collisions per particle per unit time converges to a finite value and the total contact time fraction with other particles goes to zero. For the frictional flow, however, we demonstrate that the collision rate diverges as the power of the particle stiffness so that the time fraction of the multiple contacts remains finite even in the hard-sphere limit, although the contact time fraction for the binary collisions tends to zero.
Indian Academy of Sciences (India)
Vimla Vyas
2008-04-01
Speeds of sound and densities of three ternary liquid systems namely, toluene + -heptane + -hexane (I), cyclohexane + -heptane + -hexane (II) and -hexane + - heptane + -decane (III) have been measured as a function of the composition at 298.15 K at atmospheric pressure. The experimental isothermal compressibility has been evaluated from measured values of speeds of sound and density. The isothermal compressibility of these mixtures has also been computed theoretically using different models for hard sphere equations of state and Flory's statistical theory. Computed values of isothermal compressibility have been compared with experimental findings. A satisfactory agreement has been observed. The superiority of Flory's statistical theory has been established quite reasonably over hard sphere models.
Communication: Dynamical density functional theory for dense suspensions of colloidal hard spheres.
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.
Energy Technology Data Exchange (ETDEWEB)
Sanchez G, J., E-mail: julian.sanchez@inin.gob.mx [ININ, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico)
2015-09-15
The solution of the so-called Canonical problems of neutron transport theory has been given by Case, who developed a method akin to the classical eigenfunction expansion procedure, extended to admit singular eigenfunctions. The solution is given as a set consisting of a Fredholm integral equation coupled with a transcendental equation, which has to be solved for the expansion coefficients by iteration. CASE's method make extensive use of the results of the theory of functions of a complex variable and many successful approaches to solve in an approximate form the above mentioned set have been reported in the literature. We present here an entirely different approach which deals with the canonical problems in a more direct and elementary manner. As far as we know, the original idea for the latter method is due to Carlvik who devised the escape probability approximation to the solution of the neutron transport equation in its integral form. In essence, the procedure consists in assuming a sectionally constant form of the neutron density that in turn yields a set of linear algebraic equations obeyed by the assumed constant values of the density. Very well established techniques of numerical analysis for the solution of integral equations consist in independent approaches that generalize the sectionally constant approach by assuming a sectionally low degree polynomial for the unknown function. This procedure also known as the arbitrary quadratures method is especially suited to deal with cases where the kernel of the integral equation is singular. The author wishes to present the results obtained with the arbitrary quadratures method for the numerical calculation of the monoenergetic neutron density in a critical, homogeneous sphere of finite radius with isotropic scattering. The singular integral equation obeyed by the neutron density in the critical sphere is introduced, an outline of the method's main features is given, and tables and graphs of the density
Jammed lattice sphere packings.
Kallus, Yoav; Marcotte, Étienne; Torquato, Salvatore
2013-12-01
We generate and study an ensemble of isostatic jammed hard-sphere lattices. These lattices are obtained by compression of a periodic system with an adaptive unit cell containing a single sphere until the point of mechanical stability. We present detailed numerical data about the densities, pair correlations, force distributions, and structure factors of such lattices. We show that this model retains many of the crucial structural features of the classical hard-sphere model and propose it as a model for the jamming and glass transitions that enables exploration of much higher dimensions than are usually accessible.
Jammed lattice sphere packings
Kallus, Yoav; Marcotte, Étienne; Torquato, Salvatore
2013-12-01
We generate and study an ensemble of isostatic jammed hard-sphere lattices. These lattices are obtained by compression of a periodic system with an adaptive unit cell containing a single sphere until the point of mechanical stability. We present detailed numerical data about the densities, pair correlations, force distributions, and structure factors of such lattices. We show that this model retains many of the crucial structural features of the classical hard-sphere model and propose it as a model for the jamming and glass transitions that enables exploration of much higher dimensions than are usually accessible.
Relativistic Landau models and generation of fuzzy spheres
Hasebe, Kazuki
2016-07-01
Noncommutative geometry naturally emerges in low energy physics of Landau models as a consequence of level projection. In this work, we proactively utilize the level projection as an effective tool to generate fuzzy geometry. The level projection is specifically applied to the relativistic Landau models. In the first half of the paper, a detail analysis of the relativistic Landau problems on a sphere is presented, where a concise expression of the Dirac-Landau operator eigenstates is obtained based on algebraic methods. We establish SU(2) “gauge” transformation between the relativistic Landau model and the Pauli-Schrödinger nonrelativistic quantum mechanics. After the SU(2) transformation, the Dirac operator and the angular momentum operators are found to satisfy the SO(3, 1) algebra. In the second half, the fuzzy geometries generated from the relativistic Landau levels are elucidated, where unique properties of the relativistic fuzzy geometries are clarified. We consider mass deformation of the relativistic Landau models and demonstrate its geometrical effects to fuzzy geometry. Super fuzzy geometry is also constructed from a supersymmetric quantum mechanics as the square of the Dirac-Landau operator. Finally, we apply the level projection method to real graphene system to generate valley fuzzy spheres.
Scattering for mixtures of hard spheres: comparison of total scattering intensities with model.
Anderson, B J; Gopalakrishnan, V; Ramakrishnan, S; Zukoski, C F
2006-03-01
The angular dependence of the intensity of x-rays scattered from binary and ternary hard sphere mixtures is investigated and compared to the predictions of two scattering models. Mixture ratio and total volume fraction dependent effects are investigated for size ratios equal to 0.51 and 0.22. Comparisons of model predictions with experimental results indicate the significant impact of the role of particle size distributions in interpreting the angular dependence of the scattering at wave vectors probing density fluctuations intermediate between the sizes of the particles in the mixture.
Relativistic Landau Models and Generation of Fuzzy Spheres
Hasebe, Kazuki
2015-01-01
Non-commutative geometry naturally emerges in low energy physics of Landau models as a consequence of level projection. In this work, we proactively utilize the level projection as an effective tool to generate fuzzy geometry. The level projection is specifically applied to the relativistic Landau models. In one-half of the paper, a detail analysis of the relativistic Landau problems on a sphere is presented, where a concise expression of the Dirac-Landau operator eigenstates is obtained based on algebraic methods. We establish $SU(2)$ "gauge" transformation between the relativistic Landau model and the Pauli-Schr\\"odinger non-relativistic quantum mechanics. In the other half, the fuzzy geometries generated from the relativistic Landau levels are elucidated, where unique properties of the relativistic fuzzy geometries are clarified. We consider mass deformation of the relativistic Landau models and demonstrate its geometrical effects to fuzzy geometry. Super fuzzy geometry is also constructed from a supersymm...
Hard-sphere kinetic models for inert and reactive mixtures
Polewczak, Jacek
2016-10-01
I consider stochastic variants of a simple reacting sphere (SRS) kinetic model (Xystris and Dahler 1978 J. Chem. Phys. 68 387-401, Qin and Dahler 1995 J. Chem. Phys. 103 725-50, Dahler and Qin 2003 J. Chem. Phys. 118 8396-404) for dense reacting mixtures. In contrast to the line-of-center models of chemical reactive models, in the SRS kinetic model, the microscopic reversibility (detailed balance) can be easily shown to be satisfied, and thus all mathematical aspects of the model can be fully justified. In the SRS model, the molecules behave as if they were single mass points with two internal states. Collisions may alter the internal states of the molecules, and this occurs when the kinetic energy associated with the reactive motion exceeds the activation energy. Reactive and non-reactive collision events are considered to be hard sphere-like. I consider a four component mixture A, B, A *, B *, in which the chemical reactions are of the type A+B\\rightleftharpoons {{A}\\ast}+{{B}\\ast} , with A * and B * being distinct species from A and B. This work extends the joined works with George Stell to the kinetic models of dense inert and reactive mixtures. The idea of introducing smearing-type effect in the collisional process results in a new class of stochastic kinetic models for both inert and reactive mixtures. In this paper the important new mathematical properties of such systems of kinetic equations are proven. The new results for stochastic revised Enskog system for inert mixtures are also provided.
Hamada, Shoji; Masutani, Keigo; Kobayashi, Tetsuo
Time harmonic electromagnetic fields in multi-spheres models were calculated by the method of two scalar potentials proposed by Gumerov. The analyzed models were an eccentric two-spheres model and a ten-spheres model including brain core and a pair of eyeballs. The applied fields were a plane wave and a dipole magnetic field, and the frequency was 1.8 or 2.0GHz. The truncation degree p of multipole and local expansion was set to up to 170∼200. The peak power density on the x-y plane and the absorbed power in each tissue almost monotonously converged as p increased. It demonstrated the usefulness of the Gumerov's method.
Hard-sphere perturbation theory for a model of liquid Ga.
Tsai, K H; Wu, Ten-Ming
2008-07-14
Investigating thermodynamic properties of a model for liquid Ga, we have extended the application of the hard-sphere (HS) perturbation theory to an interatomic pair potential that possesses a soft repulsive core and a long-range oscillatory part. The model is interesting for displaying a discontinuous jump on the main-peak position of the radial distribution function at some critical density. At densities less than this critical value, the effective HS diameter of the model, estimated by the variational HS perturbation theory, has a substantial reduction with increasing density. Thus, the density dependence of the packing fraction of the HS reference fluid has an anomalous behavior, with a negative slope, within a density region below the critical density. By adding a correction term originally proposed by Mon to remedy the inherent deficiency of the HS perturbation theory, the extended Mansoori-Canfield/Rasaiah-Stell theory [J. Chem. Phys. 120, 4844 (2004)] very accurately predicts the Helmholtz free energy and entropy of the model, including an excess entropy anomaly. Almost occurring in the same density region, the excess entropy anomaly is found to be associated with the anomalous packing faction of the HS fluid.
Granular mixtures modeled as elastic hard spheres subject to a drag force.
Vega Reyes, Francisco; Garzó, Vicente; Santos, Andrés
2007-06-01
Granular gaseous mixtures under rapid flow conditions are usually modeled as a multicomponent system of smooth inelastic hard disks (two dimensions) or spheres (three dimensions) with constant coefficients of normal restitution alpha{ij}. In the low density regime an adequate framework is provided by the set of coupled inelastic Boltzmann equations. Due to the intricacy of the inelastic Boltzmann collision operator, in this paper we propose a simpler model of elastic hard disks or spheres subject to the action of an effective drag force, which mimics the effect of dissipation present in the original granular gas. For each collision term ij, the model has two parameters: a dimensionless factor beta{ij} modifying the collision rate of the elastic hard spheres, and the drag coefficient zeta{ij}. Both parameters are determined by requiring that the model reproduces the collisional transfers of momentum and energy of the true inelastic Boltzmann operator, yielding beta{ij}=(1+alpha{ij})2 and zeta{ij} proportional, variant1-alpha{ij}/{2}, where the proportionality constant is a function of the partial densities, velocities, and temperatures of species i and j. The Navier-Stokes transport coefficients for a binary mixture are obtained from the model by application of the Chapman-Enskog method. The three coefficients associated with the mass flux are the same as those obtained from the inelastic Boltzmann equation, while the remaining four transport coefficients show a general good agreement, especially in the case of the thermal conductivity. The discrepancies between both descriptions are seen to be similar to those found for monocomponent gases. Finally, the approximate decomposition of the inelastic Boltzmann collision operator is exploited to construct a model kinetic equation for granular mixtures as a direct extension of a known kinetic model for elastic collisions.
Phase behavior of polyampholytes from charged hard-sphere chain model.
Jiang, Jianwen; Feng, Jian; Liu, Honglai; Hu, Ying
2006-04-14
A molecular thermodynamic theory is developed for polyampholytes from the coarse-grained charged hard-sphere chain model. The phase behavior of polyampholytes with variations in sequence and chain length is satisfactorily predicted by the theory, consistent with simulation results and experimental observations. At a fixed chain length, the phase envelope expands as the sequence of charge distribution becomes less random. With increasing chain length, the phase envelope expands for diblock and random polyampholytes, but shrinks for zwitterionic polyampholytes. The predicted critical temperature, density, and pressure exhibit scaling relations with chain length for all the three (diblock, random, and zwitterionic) polyampholytes.
A CONTINUUM HARD-SPHERE MODEL OF PROTEIN ADSORPTION.
Finch, Craig; Clarke, Thomas; Hickman, James J
2013-07-01
Protein adsorption plays a significant role in biological phenomena such as cell-surface interactions and the coagulation of blood. Two-dimensional random sequential adsorption (RSA) models are widely used to model the adsorption of proteins on solid surfaces. Continuum equations have been developed so that the results of RSA simulations can be used to predict the kinetics of adsorption. Recently, Brownian dynamics simulations have become popular for modeling protein adsorption. In this work a continuum model was developed to allow the results from a Brownian dynamics simulation to be used as the boundary condition in a computational fluid dynamics (CFD) simulation. Brownian dynamics simulations were used to model the diffusive transport of hard-sphere particles in a liquid and the adsorption of the particles onto a solid surface. The configuration of the adsorbed particles was analyzed to quantify the chemical potential near the surface, which was found to be a function of the distance from the surface and the fractional surface coverage. The near-surface chemical potential was used to derive a continuum model of adsorption that incorporates the results from the Brownian dynamics simulations. The equations of the continuum model were discretized and coupled to a CFD simulation of diffusive transport to the surface. The kinetics of adsorption predicted by the continuum model closely matched the results from the Brownian dynamics simulation. This new model allows the results from mesoscale simulations to be incorporated into micro- or macro-scale CFD transport simulations of protein adsorption in practical devices.
Encircling the dark: constraining dark energy via cosmic density in spheres
Codis, S; Bernardeau, F; Uhlemann, C; Prunet, S
2016-01-01
The recently published analytic probability density function for the mildly non-linear cosmic density field within spherical cells is used to build a simple but accurate maximum likelihood estimate for the redshift evolution of the variance of the density, which, as expected, is shown to have smaller relative error than the sample variance. This estimator provides a competitive probe for the equation of state of dark energy, reaching a few percent accuracy on wp and wa for a Euclid-like survey. The corresponding likelihood function can take into account the configuration of the cells via their relative separations. A code to compute one-cell density probability density functions for arbitrary initial power spectrum, top-hat smoothing and various spherical collapse dynamics is made available online so as to provide straightforward means of testing the effect of alternative dark energy models and initial power-spectra on the low-redshift matter distribution.
Anisotropic micro-sphere-based finite elasticity applied to blood vessel modelling
Alastrué, V.; Martínez, M. A.; Doblaré, M.; Menzel, A.
2009-01-01
A fully three-dimensional anisotropic elastic model for vascular tissue modelling is presented here. The underlying strain energy density function is assumed to additively decouple into volumetric and deviatoric contributions. A straightforward isotropic neo-Hooke-type law is used to model the deviatoric response of the ground substance, whereas a micro-structurally or rather micro-sphere-based approach will be employed to model the contribution and distribution of fibres within the biological tissue of interest. Anisotropy was introduced by means of the use of von Mises orientation distribution functions. Two different micro-mechanical approaches—a, say phenomenological, exponential ansatz, and a worm-like-chain-based formulation—are applied to the micro-fibres and illustratively compared. The passage from micro-structural contributions to the macroscopic response is obtained by a computational homogenisation scheme, namely numerical integration over the surface of the individual micro-spheres. The algorithmic treatment of this integration is discussed in detail for the anisotropic problem at hand, so that several cubatures of the micro-sphere are tested in order to optimise the accuracy at reasonable computational cost. Moreover, the introduced material parameters are identified from simple tension tests on human coronary arterial tissue for the two micro-mechanical models investigated. Both approaches are able to recapture the experimental data. Based on the identified sets of parameters, we first discuss a homogeneous deformation in simple shear to evaluate the models' response at the micro-structural level. Later on, an artery-like two-layered tube subjected to internal pressure is simulated by making use of a non-linear finite element setting. This enables to obtain the micro- and macroscopic responses in an inhomogeneous deformation problem, namely a blood vessel representative boundary value problem. The effect of residual stresses is additionally
Avazpour, A; Avazpour, L
2010-12-28
This article applies the density functional theory to confined liquid crystals, comprised of ellipsoidal shaped particles interacting through the hard Gaussian overlap (HGO) potential. The extended restricted orientation model proposed by Moradi and co-workers [J. Phys.: Condens. Matter 17, 5625 (2005)] is used to study the surface anchoring. The excess free energy is calculated as a functional expansion of density around a reference homogeneous fluid. The pair direct correlation function (DCF) of a homogeneous HGO fluid is approximated, based on the optimized sum of Percus-Yevick and Roth DCF for hard spheres; the anisotropy introduced by means of the closest approach parameter, the expression proposed by Marko [Physica B 392, 242 (2007)] for DCF of HGO, and hard ellipsoids were used. In this study we extend an our previous work [Phys. Rev. E 72, 061706 (2005)] on the anchoring behavior of hard particle liquid crystal model, by studying the effect of changing the particle-substrate contact function instead of hard needle-wall potentials. We use the two particle-surface potentials: the HGO-sphere and the HGO-surface potentials. The average number density and order parameter profiles of a confined HGO fluid are obtained using the two particle-wall potentials. For bulk isotropic liquid, the results are in agreement with the Monte Carlo simulation of Barmes and Cleaver [Phys. Rev. E 71, 021705 (2005)]. Also, for the bulk nematic phase, the theory gives the correct density profile and order parameter between the walls.
Self-diffusion in liquid gallium and hard sphere model
Directory of Open Access Journals (Sweden)
Blagoveshchenskii Nikolay
2015-01-01
Full Text Available Incoherent and coherent components of quasielastic neutron scattering have been studied in the temperature range of T = 313 K – 793 K aiming to explore the applicability limits of the hard-sphere approach for the microscopic dynamics of liquid gallium, which is usually considered as a non-hard-sphere system. It was found that the non-hard-sphere effects come into play at the distances shorter than the average interatomic distance. The longer range diffusive dynamics of liquid Ga is dominated by the repulsive forces between the atoms.
A Polydisperse Sphere Model Describing the Propagation of Light in Biological Tissue
Institute of Scientific and Technical Information of China (English)
WANG Qing-Hua; LI Zhen-Hua; LAI Jian-Cheng; HE An-Zhi
2007-01-01
A polydisperse sphere model with the complex refractive index is employed to describe the propagation of light in biological tissue.The scattering coefficient,absorption coefficient and scattering phase function are calculated.At the same time,the inverse problem on retrieving the particles size distribution,imaginary part of the refractive index and number density of scatterers is investigated.The result shows that the retrieval scheme together with the Chahine algorithm is effective in dealing with such an inverse problem.IT is also clarified that a group of parameters including the scattering coefficient,absorption coefficient and phase function are associated with another group including the refractive index,particle size distribution and number density of scatterers,which is a problem described in two different ways and the anisotropy factor is not an independent variable,but is determined by the phase function.
Simulating colloids with Baxter's adhesive hard sphere model
Miller, M.A.; Frenkel, D.
2004-01-01
The structure of the Baxter adhesive hard sphere fluid is examined using computer simulation. The radial distribution function (which exhibits unusual discontinuities due to the particle adhesion) and static structure factor are calculated with high accuracy over a range of conditions and compared w
Simulation of the adhesive-hard-sphere model
Kranendonk, W.G.T.; Frenkel, D.
1988-01-01
Monte Carlo simulations of the three-dimensional sticky-hard-sphere system are presented. A new modified Monte Carlo algorithm has been developed which makes it possible to explore the phase diagram for a large region of both the packing fraction and the stickiness parameter t. The phase diagram is
Simulating colloids with Baxter's adhesive hard sphere model
Miller, M.A.; Frenkel, D.
2004-01-01
The structure of the Baxter adhesive hard sphere fluid is examined using computer simulation. The radial distribution function (which exhibits unusual discontinuities due to the particle adhesion) and static structure factor are calculated with high accuracy over a range of conditions and compared
Direct simulation of diatomic gases using the generalized hard sphere model
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.
Determination of the sphere origin for MEG source modelling in temporal regions.
Teale, Peter; Benkers, Tara; Rojas, Donald; Reite, Martin
2002-04-07
This paper addresses the choice of spherical volume used in modelling MEG data recorded from temporal (auditory cortex) brain regions. We used MRI data sets to compute best-fitting spheres for the cranial cavity or inner skull table, and for the outer scalp surface. In addition, a 'generic' sphere was computed as the mean of the origin coordinates for the cranial spheres. The effects of these sphere choices were evaluated by estimating equivalent current dipoles as source generators for the M100 component of the auditory evoked field, and comparing the goodness-of-fit and 95% confidence volumes. Results indicate that for this area the cranial cavity is a better choice of surface to fit than the outer scalp. The 'generic' sphere results were also superior to those obtained using individual outer surfaces.
Góźdź, W T
2017-08-30
We have calculated the values of the critical packing fractions for the mixtures of symmetric nonadditive hard spheres at high densities for small values of the nonadditivity parameter. Calculations have been performed for solid-solid and fluid-fluid demixing transitions. A cluster algorithm for Monte Carlo simulations in a semigrand ensemble was used, and the waste recycling method was applied to improve the accuracy of the calculations. The finite size scaling analysis was employed to compute the critical packing fractions for infinite systems with high accuracy.
SURFACES OF HARD-SPHERE SYSTEMS
Directory of Open Access Journals (Sweden)
Dietrich Stoyan
2014-07-01
Full Text Available In various situations surfaces appear that are formed by systems of hard spheres. Examples are porous layers as surfaces of sand heaps and biofilms or fracture surfaces of concrete. The present paper considers models where a statistically homogeneous system of hard spheres with random radii is intersected by a plane and the surface is formed by the spheres with centers close to this plane. Formulae are derived for various characteristics of such surfaces: for the porosity profile, i.e. the local porosity in dependence on the distance from the section plane and for the geometry of the sphere caps that look above the section plane.It turns out that these characteristics only depend on the first-order characteristics of the sphere system, its sphere density and the sphere radius distribution.Comparison with empirically studied biofilms shows that the model is realistic.
Single-sphere model for solvent reorganization energy and its application to electron transfer
Institute of Scientific and Technical Information of China (English)
无
2006-01-01
In this work, the authors give detailed deductions and develop the single-sphere model of solvent reorganization energy in electron transfer with point dipole approximation. At the level of DFT/6- 31++G**, the electron transfer between 7,7,8,8-tetracyanoquinodimethane and its anion has been investigated. Using the novel single-sphere model, the authors evaluate the solvent reorganization energy of this system, and the computational result proves rational in comparison with the experimental estimations.
Complex oscillatory yielding of model hard-sphere glasses.
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.
Functional Sphere Profiling Reveals the Complexity of Neuroblastoma Tumor-Initiating Cell Model
Directory of Open Access Journals (Sweden)
Aurélie Coulon
2011-10-01
Full Text Available Neuroblastoma (NB is a neural crest-derived childhood tumor characterized by a remarkable phenotypic diversity, ranging from spontaneous regression to fatal metastatic disease. Although the cancer stem cell (CSC model provides a trail to characterize the cells responsible for tumor onset, the NB tumor-initiating cell (TIC has not been identified. In this study, the relevance of the CSC model in NB was investigated by taking advantage of typical functional stem cell characteristics. A predictive association was established between self-renewal, as assessed by serial sphere formation, and clinical aggressiveness in primary tumors. Moreover, cell subsets gradually selected during serial sphere culture harbored increased in vivo tumorigenicity, only highlighted in an orthotopic microenvironment. A microarray time course analysis of serial spheres passages from metastatic cells allowed us to specifically “profile” the NB stem cell-like phenotype and to identify CD133, ABC transporter, and WNT and NOTCH genes as spheres markers. On the basis of combined sphere markers expression, at least two distinct tumorigenic cell subpopulations were identified, also shown to preexist in primary NB. However, sphere markers-mediated cell sorting of parental tumor failed to recapitulate the TIC phenotype in the orthotopic model, highlighting the complexity of the CSC model. Our data support the NB stem-like cells as a dynamic and heterogeneous cell population strongly dependent on microenvironmental signals and add novel candidate genes as potential therapeutic targets in the control of high-risk NB.
Evaluation of multiple-sphere head models for MEG source localization
Energy Technology Data Exchange (ETDEWEB)
Lalancette, M; Cheyne, D [Department of Diagnostic Imaging, The Hospital for Sick Children, 555 University Ave., Toronto, Ontario M5G 1X8 (Canada); Quraan, M, E-mail: marc.lalancette@sickkids.ca, E-mail: douglas.cheyne@utoronto.ca [Krembil Neuroscience Centre, Toronto Western Research Institute, University Health Network, Toronto, Ontario M5T 2S8 (Canada)
2011-09-07
Magnetoencephalography (MEG) source analysis has largely relied on spherical conductor models of the head to simplify forward calculations of the brain's magnetic field. Multiple- (or overlapping, local) sphere models, where an optimal sphere is selected for each sensor, are considered an improvement over single-sphere models and are computationally simpler than realistic models. However, there is limited information available regarding the different methods used to generate these models and their relative accuracy. We describe a variety of single- and multiple-sphere fitting approaches, including a novel method that attempts to minimize the field error. An accurate boundary element method simulation was used to evaluate the relative field measurement error (12% on average) and dipole fit localization bias (3.5 mm) of each model over the entire brain. All spherical models can contribute in the order of 1 cm to the localization bias in regions of the head that depart significantly from a sphere (inferior frontal and temporal). These spherical approximation errors can give rise to larger localization differences when all modeling effects are taken into account and with more complex source configurations or other inverse techniques, as shown with a beamformer example. Results differed noticeably depending on the source location, making it difficult to recommend a fitting method that performs best in general. Given these limitations, it may be advisable to expand the use of realistic head models.
Evaluation of multiple-sphere head models for MEG source localization.
Lalancette, M; Quraan, M; Cheyne, D
2011-09-07
Magnetoencephalography (MEG) source analysis has largely relied on spherical conductor models of the head to simplify forward calculations of the brain's magnetic field. Multiple- (or overlapping, local) sphere models, where an optimal sphere is selected for each sensor, are considered an improvement over single-sphere models and are computationally simpler than realistic models. However, there is limited information available regarding the different methods used to generate these models and their relative accuracy. We describe a variety of single- and multiple-sphere fitting approaches, including a novel method that attempts to minimize the field error. An accurate boundary element method simulation was used to evaluate the relative field measurement error (12% on average) and dipole fit localization bias (3.5 mm) of each model over the entire brain. All spherical models can contribute in the order of 1 cm to the localization bias in regions of the head that depart significantly from a sphere (inferior frontal and temporal). These spherical approximation errors can give rise to larger localization differences when all modeling effects are taken into account and with more complex source configurations or other inverse techniques, as shown with a beamformer example. Results differed noticeably depending on the source location, making it difficult to recommend a fitting method that performs best in general. Given these limitations, it may be advisable to expand the use of realistic head models.
Hard-sphere interactions in velocity-jump models
Franz, Benjamin; Taylor-King, Jake P.; Yates, Christian; Erban, Radek
2016-07-01
Group-level behavior of particles undergoing a velocity-jump process with hard-sphere interactions is investigated. We derive N -particle transport equations that include the possibility of collisions between particles and apply different approximation techniques to get expressions for the dependence of the collective diffusion coefficient on the number of particles and their diameter. The derived approximations are compared with numerical results obtained from individual-based simulations. The theoretical results compare well with Monte Carlo simulations providing the excluded-volume fraction is small.
Hard-sphere interactions in velocity jump models
Franz, Benjamin; Yates, Christian; Erban, Radek
2014-01-01
Group-level behaviour of particles undergoing a velocity jump process with hard-sphere interactions is investigated. We derive $N$-particle transport equations that include the possibility of collisions between particles and apply different approximation techniques to get expressions for the dependence of the collective diffusion coefficient on the number of particles and their diameter. The derived approximations are compared with numerical results obtained from individual-based simulations. The theoretical results compare well with Monte Carlo simulations providing the excluded volume fraction is small.
Energy Technology Data Exchange (ETDEWEB)
Berenstein, David [Department of Applied Mathematics and Theoretical Physics,University of Cambridge, Wilberforce Road, Cambridge CB3 0WA (United Kingdom); Department of Physics, University of California Santa Barbara,Santa Barbara, California 93106 (United States); Dzienkowski, Eric; Lashof-Regas, Robin [Department of Physics, University of California Santa Barbara,Santa Barbara, California 93106 (United States)
2015-08-27
We construct various exact analytical solutions of the SO(3) BMN matrix model that correspond to rotating fuzzy spheres and rotating fuzzy tori. These are also solutions of Yang Mills theory compactified on a sphere times time and they are also translationally invariant solutions of the N=1{sup ∗} field theory with a non-trivial charge density. The solutions we construct have a ℤ{sub N} symmetry, where N is the rank of the matrices. After an appropriate ansatz, we reduce the problem to solving a set of polynomial equations in 2N real variables. These equations have a discrete set of solutions for each value of the angular momentum. We study the phase structure of the solutions for various values of N. Also the continuum limit where N→∞, where the problem reduces to finding periodic solutions of a set of coupled differential equations. We also study the topology change transition from the sphere to the torus.
The hard-sphere model of strongly interacting fermion systems
Mecca, Angela
2016-01-01
The formalism based on Correlated Basis Functions (CBF) and the cluster-expansion technique has been recently employed to derive an effective interaction from a realistic nuclear Hamiltonian. One of the main objectives of the work described in this Thesis is establishing the accuracy of this novel approach--that allows to combine the flexibility of perturbation theory in the basis of eigenstates of the noninteracting system with a realistic description of short-range correlations in coordinate space--by focusing on the hard-sphere fermion system. As a first application of the formalism, the quasiparticle properties of hard spheres of degeneracy four have been determined from the two-point Green's function. The calculation has been performed carrying out a perturbative expansion of the self-energy, up to the second order in the CBF effective interaction. The main results of this study are the momentum distributions, the quasiparticle spectra and their description in terms of effective mass. The investigation o...
Ferracane, J L; Ferracane, L L; Braga, R R
2003-07-15
Additives that provide stress relief may be incorporated into dental composites to reduce contraction stress (CS). This study attempted to test the hypothesis that conventional fillers could be replaced by high-density polyethylene (HDPE) spheres in hybrid and nanofill composites to reduce CS, but with minimal effect on mechanical properties. Nanofill and hybrid composites were made from a Bis-GMA/TEGDMA resin having either all silica nanofiller or 75 wt.% strontium glass + 5 wt.% silica and replacing some of the nanofiller or the glass with 0%, 5% (hybrid only), 10% or 20 wt.% HDPE. The surface of the HDPE was either left untreated or had a reactive gas surface treatment (RGST). Contraction stress (CS) was monitored for 10 min in a tensilometer (n = 5) after light curing for 60 s at 390 mW/cm(2). Other specimens (n = 5) were light cured 40 s from two sides in a light-curing unit and aged 1 d in water before testing fracture toughness (K(Ic)), flexure strength (FS), and modulus (E). Results were analyzed by ANOVA with Tukey's multiple comparison test at p contraction stress for both types of composites. Flexure strength, modulus (hybrid only), and fracture toughness were also reduced as the concentration of HDPE increased. SEM showed evidence for HDPE debonding and plastic deformation during fracture of the hybrid composites. In conclusion, the addition of HDPE spheres reduces contraction stress in composites, either through stress relief or a reduction in elastic modulus.
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.
A two-sphere model for bacteria swimming near solid surfaces
Dunstan, Jocelyn; Clement, Eric; Soto, Rodrigo
2011-01-01
We present a simple model for bacteria like \\emph{Escherichia coli} swimming near solid surfaces. It consists of two spheres of different radii connected by a dragless rod. The effect of the flagella is taken into account by imposing a force on the tail sphere and opposite torques exerted by the rod over the spheres. The hydrodynamic forces and torques on the spheres are computed by considering separately the interaction of a single sphere with the surface and with the flow produced by the other sphere. Numerically, we solve the linear system which contains the geometrical constraints and the force-free and torque-free conditions. The dynamics of this swimmer near a solid boundary is very rich, showing three different behaviors depending on the initial conditions: (1) swimming in circles in contact with the wall, (2) swimming in circles at a finite distance from the wall, and (3) swimming away from it. Furthermore, the order of magnitude of the radius of curvature for the circular motion is in the range $8-50...
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.
E. coli fate and transport in the Happel sphere-in-cell model
Nelson, K. E.; Massoudieh, A.; Ginn, T. R.
2007-06-01
Rates of mass and gene transfer reactions involving biotic phases are often expressed as proportional to local number densities of bacteria. When the reactions involve attached bacteria, reaction rates depend on local densities of bacteria attached to surfaces. Such may be the case with microbially-facilitated redox reactions involving mineral electron donors and mineral electron receivers (e.g., Sani RK, Peyton BM, Amonette JE, Dohnalkova A. Reoxidation of uranium in the presence of iron(III)-(hydr)oxides under sulfate reducing conditions. Environ Sci Technol 2005;39:2059-66), biofilm formation induced by quorum sensing (Purevdorj B, Costerton JW, Stoodley P. Influence of hydrodynamics and cell signaling on the structure and behavior of Pseudomonas aeruginosa Biofilms. Appl Environ Microbiol 2002;68(9):4457-64) and horizontal gene transfer among attached phase bacteria (Beaudoin DL, Bryers JD, Cunningham AB, Peretti SW. Mobilization of broad host range plasmid from Pseudomonas putida to established biofilm of Bacillus azotoformans. I. Experiments. Biotech Bioeng 1998a;57(3):272-79; Beaudoin DL, Bryers JD, Cunningham AB, Peretti SW. Mobilization of broad host range plasmid from Pseudomonas putida to established biofilm of Bacillus azotoformans. II. Modeling Biotech Bioeng 1998b;57(3):280-86). Here we use the conceptual Happel sphere-in-cell model to determine the microscopic distribution of attached bacteria on idealized spherical grains of porous media, assuming azimuthal symmetry. We extend a Lagrangian model of colloid filtration to investigate the effects of motility of Escherichia coli on attachment rate and on the attachment distribution as a function of location on grain surface. The hydrodynamics of the Happel model is implicitly 3D and represented in 2D polar coordinates under the assumption of axisymmetric flow, while the motility of the E. coli cells is explicitly 3D. The model incorporates the fate and transport processes of colloid filtration theory in
An efficient implementation of a high-order filter for a cubed-sphere spectral element model
Kang, Hyun-Gyu; Cheong, Hyeong-Bin
2017-03-01
A parallel-scalable, isotropic, scale-selective spatial filter was developed for the cubed-sphere spectral element model on the sphere. The filter equation is a high-order elliptic (Helmholtz) equation based on the spherical Laplacian operator, which is transformed into cubed-sphere local coordinates. The Laplacian operator is discretized on the computational domain, i.e., on each cell, by the spectral element method with Gauss-Lobatto Lagrange interpolating polynomials (GLLIPs) as the orthogonal basis functions. On the global domain, the discrete filter equation yielded a linear system represented by a highly sparse matrix. The density of this matrix increases quadratically (linearly) with the order of GLLIP (order of the filter), and the linear system is solved in only O (Ng) operations, where Ng is the total number of grid points. The solution, obtained by a row reduction method, demonstrated the typical accuracy and convergence rate of the cubed-sphere spectral element method. To achieve computational efficiency on parallel computers, the linear system was treated by an inverse matrix method (a sparse matrix-vector multiplication). The density of the inverse matrix was lowered to only a few times of the original sparse matrix without degrading the accuracy of the solution. For better computational efficiency, a local-domain high-order filter was introduced: The filter equation is applied to multiple cells, and then the central cell was only used to reconstruct the filtered field. The parallel efficiency of applying the inverse matrix method to the global- and local-domain filter was evaluated by the scalability on a distributed-memory parallel computer. The scale-selective performance of the filter was demonstrated on Earth topography. The usefulness of the filter as a hyper-viscosity for the vorticity equation was also demonstrated.
Institute of Scientific and Technical Information of China (English)
周世琦
2005-01-01
A universal theoretical way is proposed which enables all of hard sphere density functional approximations (DFAs) applicable to non-hard sphere fluids.The resultant DFA by combining the universal theoretical way with any hard sphere DFAs only needs as input a second order direct correlation function (DCF) of a coexistence bulk fluid,and can be applicable to both supercitical and subcritical temperature regions.The associated effective hard sphere density can be specified by a hard wall sum rule. It is indicated that so determined value of the effective hard sphere density can be universal,i.e. can be applied for any external potentials different from the single hard wall. As an illustrating example,the universal theoretical way is combined with a hard sphere BDFA to predict density profile of a hard core attractive Yukawa model fluid influenced by diverse external fields,agreement between the present formalism predictions and the corresponding simulation data is very good or at least comparable with several previous DFT approaches. The most advantage of the present theoretical way combined with other hard sphere DFAs is discused.%提出了一个普适性的理论方案,该方案使一切硬球密度泛函近似能被扩展到非硬球流体的情形.将该普适性理论方案与任意硬球密度泛函近似结合所形成的非硬球密度泛函近似,仅仅需要共存体相流体的二阶直接相关函数作为输入,因而能用于超临界与亚临界区域的情形.其中的有效硬球密度可由硬墙Sum规则确定.结果表明,如此确定的有效硬球密度可用于任意外势情形.作为代表性的例子,我们将该普适性理论方案与一个最近提出的桥密度泛函近似结合,用以预言硬核吸引汤川势流体在几个不同的外场影响下的密度分布.此理论与相应的计算机模拟数据符合很好,或至少与以前的几个密度泛函近似相当.并讨论了该方法相比于以前的几个方法所具有的优点.
Study of light scattering by a granulated coated sphere - a model of granulated blood cells
M.A. Yurkin; D. de Kanter; A.G. Hoekstra
2008-01-01
We performed extensive simulations of light scattering by granulated coated sphere model using the discrete dipole approximation and varying model parameters in the ranges of sizes and refractive indices of granulated blood cells. We compared these results with predictions of Maxwell-Garnett effecti
Directory of Open Access Journals (Sweden)
Nosenko S. V.
2013-10-01
Full Text Available In the article, we present the mathematical model of referring documents entering the automated system to the spheres of users responsibility. The possibility of application of mathematical apparatus of final predicates algebra as a basic means of model description is proved
CSIR Research Space (South Africa)
Singh, A
2011-05-01
Full Text Available The accuracy of the calibration model for the single and double integrating sphere systems are compared for a white light system. A calibration model is created from a matrix of samples with known absorption and reduced scattering coefficients...
Institute of Scientific and Technical Information of China (English)
AN Xi-Zhong
2007-01-01
The crystallization, corresponding to the fcc structure (with packing density p ≈ 0.74), of smooth equal hard spheres under batch-wised feeding and three-dimensional interval vibration is numerically obtained by using the discrete element method. The numerical experiment shows that the ordered packing can be realized by proper control of the dynamic parameters such as batch of each feeding § and vibration amplitude A. The radial distribution function and force network are used to characterize the ordered structure. The defect formed during vibrated packing is characterized as well The results in our work fill the gap of getting packing density between random close packing and fcc packing in phase diagram which provides an effective way of theoretically investigating the complex process and mechanism of hard sphere crystallization and its dynamics.
Mendoza, Carlos I; Santamaría-Holek, I
2009-01-28
We propose a simple and general model accounting for the dependence of the viscosity of a hard sphere suspension at arbitrary volume fractions. The model constitutes a continuum-medium description based on a recursive-differential method where correlations between the spheres are introduced through an effective volume fraction. In contrast to other differential methods, the introduction of the effective volume fraction as the integration variable implicitly considers interactions between the spheres of the same recursive stage. The final expression for the viscosity scales with this effective volume fraction, which allows constructing a master curve that contains all the experimental situations considered. The agreement of our expression for the viscosity with experiments at low- and high-shear rates and in the high-frequency limit is remarkable for all volume fractions.
Murad, Mohammad Hassan
2014-01-01
In this work some families of relativistic anisotropic charged fluid spheres have been obtained by solving Einstein-Maxwell field equations with preferred form of one of the metric potentials, a suitable forms of electric charge distribution and pressure anisotropy functions. The resulting equation of state (EOS) of the matter distribution has been obtained. Physical analysis shows that the relativistic stellar structure for matter distribution obtained in this work may reasonably model an electrically charged compact star whose energy density associated with the electric fields is on the same order of magnitude as the energy density of fluid matter itself (e.g. electrically charged bare strange stars). These models permit a simple method of systematically fixing bounds on the maximum possible mass of cold compact electrically charged self-bound stars. It has been demonstrated numerically that the maximum compactness and mass increase in the presence of electric field and anisotropic pressures. Based on the a...
Calculations of Backscattering Mueller Matrices for Turbid Media with a Sphere Queue Model
Institute of Scientific and Technical Information of China (English)
WANG Qing-Hua; LI Zhen-Hua; LAI Jian-Cheng; ZHANG Ying-Ying; HE An-Zhi
2006-01-01
A sphere queue model is introduced to calculate Mueller matrices of turbid media. Combined with the single scattering approximation, the backscattering Mueller matrices of turbid media can be computed rapidly by Mie theory. The numerical results agree with the azimuthal dependences of backscattering Mueller matrices' patterns from turbid media, which indicates that the major contribution to the Mueller matrices' patterns comes from the single scattering of the sphere queue, and the multiple scattering considered as a high-order correction does not change the patterns. The numerical analysis reveals that the contrast of Mueller matrices' patterns will decrease with increase of the concentration of media and the distance from the incident point.
The Coulomb gas representation of critical RSOS models on the sphere and the torus
Energy Technology Data Exchange (ETDEWEB)
Foda, O. (Rijksuniversiteit Utrecht (Netherlands). Inst. voor Theoretische Fysica); Nienhuis, B. (Rijksuniversiteit Leiden (Netherlands). Inst. Lorentz voor Theoretische Natuurkunde)
1989-10-02
We derive the Coulomb gas formulation of the c<1 discrete unitary series, on the sphere and the torus, starting from the corresponding regime-III RSOS models on a square lattice with appropriate topology. We clarify the origin of the background charge, the screening charges, and the choice of operator representations in a correlation function. In the scaling limit, we obtain a bosonic action coupled to the background curvature in addition to topological terms that vanish on the Riemann sphere. Its Virasoro algebra has the central charge expected on the basis of comparing conformal dimensions. As an application, we derive general expressions for the correlation functions on the torus. (orig.).
Extension of the hard-sphere particle-wall collision model to account for particle deposition.
Kosinski, Pawel; Hoffmann, Alex C
2009-06-01
Numerical simulations of flows of fluids with granular materials using the Eulerian-Lagrangian approach involve the problem of modeling of collisions: both between the particles and particles with walls. One of the most popular techniques is the hard-sphere model. This model, however, has a major drawback in that it does not take into account cohesive or adhesive forces. In this paper we develop an extension to a well-known hard-sphere model for modeling particle-wall interactions, making it possible to account for adhesion. The model is able to account for virtually any physical interaction, such as van der Waals forces or liquid bridging. In this paper we focus on the derivation of the new model and we show some computational results.
Geometrical characteristics of the enlarged fused hard sphere models of simple molecules.
Boublík, Tomas
2005-10-20
The enlarged fused hard sphere model represents a compromise between fused hard sphere- and hard convex body models of repulsive interactions of nonspherical molecules. Geometric functionals of the enlarged fused hard sphere models, i.e., the hard body volume, surface area, and "mean radius" for 25 molecules of the linear and approximately planar shapes (cycloalkanes and aromatic compounds), neopentane and cyclohexane were determined from the bond lengths and bond angles and expressed in the dimensionless form. The hard sphere diameters, first approximated by the values found from the correlation of the second virial coefficients, were then adjusted to heats of vaporization of the studied compounds. Parameters of nonsphericity and molar volumes, evaluated from these characteristics, are compared with parameters of modern semiempirical equations of state (BACK, BACKONE, SAFT). The calculated geometric quantities for a series of compounds make it possible to improve methods of determining the characteristic parameters of the modern semiempirical equations of state, as well as those from the perturbation approaches.
Modeling outer-sphere disorder in the symmetry breaking of PPV.
Liu, L Angela; Yaron, David J
2009-04-21
Disorder plays an important role in the photophysics of conjugated polymers such as poly(para-phenylene vinylene) (PPV). The dipole moments measured by electroabsorption spectroscopy for a centrosymmetric system such as PPV provide a direct quantitative measure of disorder-induced symmetry breaking. Although inner-sphere (structural) disorder is present, outer-sphere (environmental) disorder dominates the symmetry breaking in PPV. This paper develops and compares six models of outer-sphere disorder that differ in their representation of the electrostatic environment of PPV in glassy solvents. The most detailed model is an all-atom description of the solvent glass and this model forms the basis for comparison of the less detailed models. Four models are constructed in which multipoles are placed at points on a lattice. These lattice models differ in the degree to which they include correlation between the lattice spacings and the orientations of the multipoles. A simple model that assigns random Gaussian-distributed electrostatic potentials to each atom in the PPV molecule is also considered. Comparison of electronic structure calculations of PPV in these electrostatic environments using the all-atom model as a benchmark reveals that dipole and quadrupole lattices provide reasonable models of organic glassy solvents. Including orientational correlation among the solvent molecules decreases the effects of outer-sphere disorder, whereas including correlation in the lattice spacings increases the effects. Both the dipole and quadrupole moments of the solvent molecules can have significant effects on the symmetry breaking and these effects are additive. This additivity provides a convenient means for predicting the effects of various glassy solvents based on their multipole moments. The results presented here suggest that electrostatic disorder can account for the observed symmetry breaking in organic glasses. Furthermore, the lattice models are in general agreement
Directory of Open Access Journals (Sweden)
Kristina Vukusic
2013-01-01
Full Text Available 3D environment and high cell density play an important role in restoring and supporting the phenotypes of cells represented in cardiac tissues. The aim of this study was therefore to investigate the suitability of high density sphere (HDS cultures for studies of cardiomyocyte-, endothelial-, and stem-cell biology. Primary adult cardiac cells from nine human biopsies were cultured using different media for up to 9 weeks. The possibilities to favor a certain cell phenotype and induce production of extra cellular matrix (ECM were studied by histology, immunohistochemistry, and quantitative real-time PCR. Defined media gave significant increase in both cardiac- and progenitor-specific markers and also an intraluminal position of endothelial cells over time. Cardiac media showed indication of differentiation and maturity of HDS considering the ECM production and activities within NOTCH regulation but no additional cardiac differentiation. Endothelial media gave no positive effects on endothelial phenotype but increased proliferation without fibroblast overgrowth. In addition, indications for early vasculogenesis were found. It was also possible to affect the Wnt signaling in HDS by addition of a glycogen synthase kinase 3 (GSK3 inhibitor. In conclusion, these findings show the suitability of HDS as in vitro model for studies of cardiomyocyte-, endothelial-, and stem-cell biology.
Kwun, Jihye; Song, Hyo-Jong; Park, Jong-Im
2013-04-01
Background error covariance matrix is very important for variational data assimilation system, determining how the information from observed variables is spread to unobserved variables and spatial points. The full representation of the matrix is impossible because of the huge size so the matrix is constructed implicitly by means of a variable transformation. It is assumed that the forecast errors in the control variables chosen are statistically independent. We used the cubed-sphere geometry based on the spectral element method which is better for parallel application. In cubed-sphere grids, the grid points are located at Gauss-Legendre-Lobatto points on each local element of 6 faces on the sphere. The two stages of the transformation were used in this study. The first is the variable transformation from model to a set of control variables whose errors are assumed to be uncorrelated, which was developed on the cubed sphere-using Galerkin method. Winds are decomposed into rotational part and divergent part by introducing stream function and velocity potential as control variables. The dynamical constraint for balance between mass and wind were made by applying linear balance operator. The second is spectral transformation which is to remove the remaining spatial correlation. The bases for the spectral transform were generated for the cubed-sphere grid. 6-hr difference fields of shallow water equation (SWE) model run initialized by variational data assimilation system were used to obtain forecast error statistics. In the horizontal background error covariance modeling, the regression analysis of the control variables was performed to define the unbalanced variables as the difference between full and correlated part. Regression coefficient was used to remove the remaining correlations between variables.
Probing the fuzzy sphere regularisation in simulations of the $3d \\lambda \\phi^4$ model
Medina, Julieta; O'Connor, Denjoe
2008-01-01
We regularise the 3d \\lambda \\phi^4 model by discretising the Euclidean time and representing the spatial part on a fuzzy sphere. The latter involves a truncated expansion of the field in spherical harmonics. This yields a numerically tractable formulation, which constitutes an unconventional alternative to the lattice. In contrast to the 2d version, the radius R plays an independent r\\^{o}le. We explore the phase diagram in terms of R and the cutoff, as well as the parameters m^2 and \\lambda. Thus we identify the phases of disorder, uniform order and non-uniform order. We compare the result to the phase diagrams of the 3d model on a non-commutative torus, and of the 2d model on a fuzzy sphere. Our data at strong coupling reproduce accurately the behaviour of a matrix chain, which corresponds to the c=1-model in string theory. This observation enables a conjecture about the thermodynamic limit.
Frustrated spin model as a hard-sphere liquid
Mostovoy, MV; Khomskii, DI; Knoester, J; Prokof'ev, NV; Prokof’ev, N.V.
2003-01-01
We show that one-dimensional topological objects (kinks) are natural degrees of freedom for an antiferromagnetic Ising model on a triangular lattice. Its ground states and the coexistence of spin ordering with an extensive zero-temperature entropy can easily be understood in terms of kinks forming a
Chemical potential of a hard sphere fluid adsorbed in model disordered polydisperse matrices.
de Leon, Aned; Pizio, O; Sokołowski, S
2006-06-01
We consider a model for adsorption of a simple fluid in disordered polydisperse adsorbents. The fluid consists of hard sphere particles. On the other hand, the adsorbents of this study are modeled as a collection of hard spheres with their diameter obeying a certain distribution function. Our focus is in the evaluation of the chemical potential of the fluid immersed in such a polydisperse material. It permits us to obtain porosity and pore size distribution for the adsorbent, as well as a set of adsorption isotherms. The latter have been calculated theoretically and by grand canonical Monte Carlo simulations. We observe that the width of assumed polydispersity distribution affects all the properties of the system. Nevertheless, the effect of matrix packing is dominant in determining adsorption for this class of models. We are convinced that the matrix structures generated via more sophisticated algorithms would exhibit stronger effects of polydispersity on the entire set of properties of adsorbed simple fluids.
The Local Ensemble Transform Kalman Filter (LETKF) with a Global NWP Model on the Cubed Sphere
Shin, Seoleun; Kang, Ji-Sun; Jo, Youngsoon
2016-07-01
We develop an ensemble data assimilation system using the four-dimensional local ensemble transform kalman filter (LEKTF) for a global hydrostatic numerical weather prediction (NWP) model formulated on the cubed sphere. Forecast-analysis cycles run stably and thus provide newly updated initial states for the model to produce ensemble forecasts every 6 h. Performance of LETKF implemented to the global NWP model is verified using the ECMWF reanalysis data and conventional observations. Global mean values of bias and root mean square difference are significantly reduced by the data assimilation. Besides, statistics of forecast and analysis converge well as the forecast-analysis cycles are repeated. These results suggest that the combined system of LETKF and the global NWP formulated on the cubed sphere shows a promising performance for operational uses.
Boss, Alan P
2013-01-01
Magnetic fields are important contributers to the dynamics of collapsing molecular cloud cores, and can have a major effect on whether collapse results in a single protostar or fragmentation into a binary or multiple protostar system. New models are presented of the collapse of magnetic cloud cores using the adaptive mesh refinement (AMR) code Enzo2.0. The code was used to calculate the ideal magnetohydrodynamics (MHD) of initially spherical, uniform density and rotation clouds with density perturbations, i.e., the Boss and Bodenheimer (1979) standard isothermal test case for three dimensional (3D) hydrodynamics (HD) codes. After first verifying that Enzo reproduces the binary fragmentation expected for the non-magnetic test case, a large set of models was computed with varied initial magnetic field strengths and directions with respect to the cloud core axis of rotation (parallel or perpendicular), density perturbation amplitudes, and equations of state. Three significantly different outcomes resulted: (1) c...
Life Stories in Context: Using the Three-Sphere Context Model To Analyze Amos's Narrative
Rivka Tuval-Mashiach
2014-01-01
Despite a wide theoretical consensus among narrative researchers about the importance of referring to context in analyzing narratives, it seems that the various contexts at work in individual life stories and the specific methodological implications of the importance of context are not that clear. In this paper, I will describe a model for context analysis, which refers to three distinct spheres of contexts in which narrators situate their life stories (Zilber, Tuval-Mashiach, & Lieblich, 200...
The trinification model SU(3)3 from orbifolds for fuzzy spheres
Manolakos, G.; Zoupanos, G.
2017-03-01
In this review, we consider an N = 4 supersymmetric SU(3 N) gauge theory defined on the Minkowski spacetime. Then we apply an orbifold projection leading to an N = 1 supersymmetric SU( N)3 model, with a truncated particle spectrum. Then, we present the dynamical generation of (twisted) fuzzy spheres as vacuum solutions of the projected field theory, breaking the SU( N)3 spontaneously to a chiral effective theory with unbroken gauge group the trinification group, SU(3)3.
Multi-Sphere Method for modeling spacecraft electrostatic forces and torques
Stevenson, Daan; Schaub, Hanspeter
2013-01-01
The use of electrostatic (Coulomb) actuation for formation flying is attractive because non-renewable fuel reserves are not depleted and plume impingement issues are avoided. Prior analytical electrostatic force models used for Coulomb formations assume spherical spacecraft shapes, which include mutual capacitance and induced effects. However, this framework does not capture any orientation-dependent forces or torques on generic spacecraft geometries encountered during very close operations and docking scenarios. The Multi-Sphere Method (MSM) uses a collection of finite spheres to represent a complex shape and analytically approximate the Coulomb interaction with other charged bodies. Finite element analysis software is used as a truth model to determine the optimal sphere locations and radii. The model is robust to varying system parameters such as prescribed voltages and external shape size. Using the MSM, faster-than-realtime electrostatic simulation of six degree of freedom relative spacecraft motion is feasible, which is crucial for the development of robust relative position and orientation control algorithms in local space situational awareness applications. To demonstrate this ability, the rotation of a cylindrical craft in deep space is simulated, while charge control from a neighboring spacecraft is used to de-spin the object. Using a 1 m diameter craft separated by 10 m from a 3 by 1 m cylindrical craft in deep space, a 2 °/s initial rotation rate can be removed from the cylinder within 3 days, using electric potentials up to 30 kV.
Donahue, C. M.; Hrenya, C. M.; Zelinskaya, A. P.; Nakagawa, K. J.
2008-11-01
Using an apparatus inspired by Newton's cradle, the simultaneous, normal collision between three solid spheres is examined. Namely, an initially touching, motionless pair of "target" particles (doublet) is impacted on one end by a third "striker" particle. Measurements of postcollisional velocities and collision durations are obtained via high-speed photography and an electrical circuit, respectively. Contrary to intuition, the expected Newton's cradle outcome of a motionless, touching particle pair at the bottom of the pendulum arc is not observed in either case. Instead, the striker particle reverses its direction and separates from the middle particle after collision. This reversal is not observed, however, if the target particles are separated by a small distance (not in contact) initially, although a separation still occurs between the striker and middle particle after the collision, with both particles traveling in the same direction. For the case of initially touching target particles, contact duration measurements indicate that the striker separates from the three particles before the two target particles separate. However, when the targets are slightly separated, a three-particle collision is never observed, and the collision is, in fact, a series of two-body collisions. A subsequent implementation of a variety of hard-sphere and soft-sphere collision models indicates that a three-body (soft-sphere) treatment is essential for predicting the velocity reversal, consistent with the experimental findings. Finally, a direct comparison between model predictions and measurements of postcollisional velocities and contact durations provides a gauge of the relative merits of existing collision models for three-body interactions.
From the Scale Model of the Sky to the Armillary Sphere
Gangui, Alejandro; Paez, Carlos
2015-01-01
It is customary to employ a semi-spherical scale model to describe the apparent path of the Sun across the sky, whether it be its diurnal motion or its variation throughout the year. A flat surface and three bent semi-rigid wires (representing the three solar arcs during solstices and equinoxes) will do the job. On the other hand, since very early times, there have been famous armillary spheres built and employed by the most outstanding astronomers for the description of the celestial movements. In those instruments, many of them now considered true works of art, Earth lies in the center of the cosmos and the observer looks at the whole "from the outside." Of course, both devices, the scale model of the sky and the armillary sphere, serve to represent the movement of the Sun, and in this paper we propose to show their equivalence by a simple construction. Knowing the basics underlying the operation of the armillary sphere will give us confidence to use it as a teaching resource in school.
On fluid-solid direct coexistence simulations: the pseudo-hard sphere model.
Espinosa, Jorge R; Sanz, Eduardo; Valeriani, Chantal; Vega, Carlos
2013-10-14
We investigate methodological issues concerning the direct coexistence method, an increasingly popular approach to evaluate the solid-fluid coexistence by means of computer simulations. The first issue is the impact of the simulation ensemble on the results. We compare the NpT ensemble (easy to use but approximate) with the NpzT ensemble (rigorous but more difficult to handle). Our work shows that both ensembles yield similar results for large systems (>5000 particles). Another issue, which is usually disregarded, is the stochastic character of a direct coexistence simulation. Here, we assess the impact of stochasticity in the determination of the coexistence point. We demonstrate that the error generated by stochasticity is much larger than that caused by the use of the NpT ensemble, and can be minimized by simply increasing the system size. To perform this study we use the pseudo hard-sphere model recently proposed by Jover et al. [J. Chem. Phys. 137, 144505 (2012)], and obtain a coexistence pressure of p∗ = 11.65(1), quite similar to that of hard spheres (only about 0.6% higher). Therefore, we conclude that this model can be reliably used to investigate the physics of hard spheres in phenomena like crystal nucleation.
RHOCUBE: 3D density distributions modeling code
Nikutta, Robert; Agliozzo, Claudia
2016-11-01
RHOCUBE models 3D density distributions on a discrete Cartesian grid and their integrated 2D maps. It can be used for a range of applications, including modeling the electron number density in LBV shells and computing the emission measure. The RHOCUBE Python package provides several 3D density distributions, including a powerlaw shell, truncated Gaussian shell, constant-density torus, dual cones, and spiralling helical tubes, and can accept additional distributions. RHOCUBE provides convenient methods for shifts and rotations in 3D, and if necessary, an arbitrary number of density distributions can be combined into the same model cube and the integration ∫ dz performed through the joint density field.
Energy Technology Data Exchange (ETDEWEB)
Lin, Z.W., E-mail: linz@ecu.ed [Department of Physics, East Carolina University, C-209 Howell Science Complex, Greenville, NC 27858-4353 (United States)
2011-04-15
It is often useful to get a quick estimate of the dose or dose equivalent of an organ, such as blood-forming organs, the eye or the skin, in a radiation field. Sometimes an equivalent sphere is used to represent the organ for this purpose. For space radiation environments, recently it has been shown that the equivalent sphere model does not work for the eye or the skin in solar particle event environments. In this study, we improve the representation of the eye and the skin using a two-component equivalent sphere model. Motivated by the two-peak structure of the body organ shielding distribution for the eye and the skin, we use an equivalent sphere with two radius parameters, for example a partial spherical shell of a smaller thickness over a proper fraction of the full solid angle combined with a concentric partial spherical shell of a larger thickness over the rest of the full solid angle, to represent the eye or the skin. We find that using an equivalent sphere with two radius parameters instead of one drastically improves the accuracy of the estimates of dose and dose equivalent in space radiation environments. For example, in solar particle event environments the average error in the estimate of the skin dose equivalent using an equivalent sphere with two radius parameters is about 8%, while the average error of the conventional equivalent sphere model using one radius parameter is around 100%.
Lamperski, Stanisław; Sosnowska, Joanna; Bhuiyan, Lutful Bari; Henderson, Douglas
2014-01-07
Even though ionic liquids are composed of nonspherical ions, it is shown here that the general features of the capacitance of an electrical double layer can be obtained using a charged hard sphere model. We have shown in our earlier studies that at high electrolyte concentrations or large magnitudes of the electrode charge density the fact that the ions have a finite size, and are not point ions, cause the capacitance near the potential of zero charge to increase and change from a minimum to a maximum as the ionic concentration is increased and to decrease as the magnitude of the electrode charge density increases. Here, we show that the asymmetry of the capacitance of an ionic liquid can be explained qualitatively by using spherical ions of different size without attempting to introduce the ionic shape in a detailed manner. This means that the general features of the capacitance of the double layer of an ionic liquid can be studied without using a complex model, although the study of the density or charge profiles of an ionic fluid would require one. However, this is often unnecessary in the analysis of many experiments.
Hayashi, Tomohiko; Oshima, Hiraku; Harano, Yuichi; Kinoshita, Masahiro
2016-09-01
For neutral hard-sphere solutes, we compare the reduced density profile of water around a solute g(r), solvation free energy μ, energy U, and entropy S under the isochoric condition predicted by the two theories: dielectrically consistent reference interaction site model (DRISM) and angle-dependent integral equation (ADIE) theories. A molecular model for water pertinent to each theory is adopted. The hypernetted-chain (HNC) closure is employed in the ADIE theory, and the HNC and Kovalenko-Hirata (K-H) closures are tested in the DRISM theory. We also calculate g(r), U, S, and μ of the same solute in a hard-sphere solvent whose molecular diameter and number density are set at those of water, in which case the radial-symmetric integral equation (RSIE) theory is employed. The dependences of μ, U, and S on the excluded volume and solvent-accessible surface area are analyzed using the morphometric approach (MA). The results from the ADIE theory are in by far better agreement with those from computer simulations available for g(r), U, and μ. For the DRISM theory, g(r) in the vicinity of the solute is quite high and becomes progressively higher as the solute diameter d U increases. By contrast, for the ADIE theory, it is much lower and becomes further lower as d U increases. Due to unphysically positive U and significantly larger |S|, μ from the DRISM theory becomes too high. It is interesting that μ, U, and S from the K-H closure are worse than those from the HNC closure. Overall, the results from the DRISM theory with a molecular model for water are quite similar to those from the RSIE theory with the hard-sphere solvent. Based on the results of the MA analysis, we comparatively discuss the different theoretical methods for cases where they are applied to studies on the solvation of a protein.
Doyle, Timothy E; Robinson, David A.; Scott B. Jones; Warnick, Keith H.; Carruth, Brent L.
2007-01-01
A numerical modeling approach was developed to predict the dielectric properties of heterogeneous particulate materials with arbitrary microstructures. To test the method, simulation and experimental data were acquired for the effective permittivities of various glass sphere suspensions. Both ordered lattices and random microstructures of up to 3600 spheres were modeled for volume fractions of 0.025–0.60. The electric fields in the suspensions were computed using an iterative multipole method...
Phase diagram of elastic spheres.
Athanasopoulou, L; Ziherl, P
2017-02-15
Experiments show that polymeric nanoparticles often self-assemble into several non-close-packed lattices in addition to the face-centered cubic lattice. Here, we explore theoretically the possibility that the observed phase sequences may be associated with the softness of the particles, which are modeled as elastic spheres interacting upon contact. The spheres are described by two finite-deformation theories of elasticity, the modified Saint-Venant-Kirchhoff model and the neo-Hookean model. We determine the range of indentations where the repulsion between the spheres is pairwise additive and agrees with the Hertz theory. By computing the elastic energies of nine trial crystal lattices at densities far beyond the Hertzian range, we construct the phase diagram and find the face- and body-centered cubic lattices as well as the A15 lattice and the simple hexagonal lattice, with the last two being stable at large densities where the spheres are completely faceted. These results are qualitatively consistent with observations, suggesting that deformability may indeed be viewed as a generic property that determines the phase behavior in nanocolloidal suspensions.
Energy Technology Data Exchange (ETDEWEB)
Murad, Mohammad Hassan [BRAC University, Department of Mathematics and Natural Sciences, Dhaka (Bangladesh); Fatema, Saba [Daffodil International University, Department of Natural Sciences, Dhaka (Bangladesh)
2015-11-15
In this work some families of relativistic anisotropic charged fluid spheres have been obtained by solving the Einstein-Maxwell field equations with a preferred form of one of the metric potentials, and suitable forms of electric charge distribution and pressure anisotropy functions. The resulting equation of state (EOS) of the matter distribution has been obtained. Physical analysis shows that the relativistic stellar structure for the matter distribution considered in this work may reasonably model an electrically charged compact star whose energy density associated with the electric fields is on the same order of magnitude as the energy density of fluid matter itself (e.g., electrically charged bare strange stars). Furthermore these models permit a simple method of systematically fixing bounds on the maximum possible mass of cold compact electrically charged self-bound stars. It has been demonstrated, numerically, that the maximum compactness and mass increase in the presence of an electric field and anisotropic pressures. Based on the analytic models developed in this present work, the values of some relevant physical quantities have been calculated by assuming the estimated masses and radii of some well-known potential strange star candidates like PSR J1614-2230, PSR J1903+327, Vela X-1, and 4U 1820-30. (orig.)
Cushman, R.
2001-01-01
In this paper we show that the integral map of Rouths sphere has monodromy when the sphere becomes gyroscopically unstable This uses the nonHamiltonian monodromy of Rouths sphere has center of mass not at its geometrical center and moment of inertia tensor with two equal principal moments of inerti
Lukšič, Miha; Hribar-Lee, Barbara; Vlachy, Vojko; Pizio, O
2012-12-28
The canonical Monte Carlo computer simulations and integral equation theory were applied to examine the structural and thermodynamic properties of a mixture of ions and a core-softened fluid molecules. The positive and negative ions forming a +1:-1 salt were modeled as charged hard spheres, immersed in the dielectric medium. It was shown previously that the core-softened fluid under study is characterized by a set of structural, thermodynamic, and dynamic anomalies. The principal objective of this work was to elucidate how the presence of ions alters this behavior. The structural properties of the mixtures are discussed in terms of the pair distribution functions; in addition, the pair contribution to the excess entropy was calculated. Thermodynamic properties are investigated by using the dependencies of energy and compressibility factor on density, composition of the mixture, and reduced temperature. The heat capacity was also evaluated. Our principal findings concern the description of structural anomalies in the mixture, the dependence of the temperature of maximum density on the ionic concentration, and establishing the regions delimiting the structural and thermodynamic anomalies of the model mixture.
Gazzillo, Domenico; Giacometti, Achille; Fantoni, Riccardo; Sollich, Peter
2006-11-01
We investigate the dependence of the stickiness parameters tij=1/(12tauij)--where the tauij are the conventional Baxter parameters--on the solute diameters sigmai and sigmaj in multicomponent sticky hard sphere (SHS) models for fluid mixtures of mesoscopic neutral particles. A variety of simple but realistic interaction potentials, utilized in the literature to model short-ranged attractions present in real solutions of colloids or reverse micelles, is reviewed. We consider: (i) van der Waals attractions, (ii) hard-sphere-depletion forces, (iii) polymer-coated colloids, and (iv) solvation effects (in particular hydrophobic bonding and attractions between reverse micelles of water-in-oil microemulsions). We map each of these potentials onto an equivalent SHS model by requiring the equality of the second virial coefficients. The main finding is that, for most of the potentials considered, the size-dependence of tij(T,sigmai,sigmaj) can be approximated by essentially the same expression, i.e., a simple polynomial in the variable sigmaisigmaj/sigmaij2, with coefficients depending on the temperature T, or--for depletion interactions--on the packing fraction eta0 of the depletant particles.
Unit-Sphere Multiaxial Stochastic-Strength Model Applied to Anisotropic and Composite Materials
Nemeth, Noel, N.
2013-01-01
Models that predict the failure probability of brittle materials under multiaxial loading have been developed by authors such as Batdorf, Evans, and Matsuo. These "unit-sphere" models assume that the strength-controlling flaws are randomly oriented, noninteracting planar microcracks of specified geometry but of variable size. This methodology has been extended to predict the multiaxial strength response of transversely isotropic brittle materials, including polymer matrix composites (PMCs), by considering (1) flaw-orientation anisotropy, whereby a preexisting microcrack has a higher likelihood of being oriented in one direction over another direction, and (2) critical strength, or K (sub Ic) orientation anisotropy, whereby the level of critical strength or fracture toughness for mode I crack propagation, K (sub Ic), changes with regard to the orientation of the microstructure. In this report, results from finite element analysis of a fiber-reinforced-matrix unit cell were used with the unit-sphere model to predict the biaxial strength response of a unidirectional PMC previously reported from the World-Wide Failure Exercise. Results for nuclear-grade graphite materials under biaxial loading are also shown for comparison. This effort was successful in predicting the multiaxial strength response for the chosen problems. Findings regarding stress-state interactions and failure modes also are provided.
Conditional Density Models for Asset Pricing
Filipovic, Damir; Hughston, Lane P.; Macrina, Andrea
2010-01-01
We model the dynamics of asset prices and associated derivatives by consideration of the dynamics of the conditional probability density process for the value of an asset at some specified time in the future. In the case where the asset is driven by Brownian motion, an associated "master equation" for the dynamics of the conditional probability density is derived and expressed in integral form. By a "model" for the conditional density process we mean a solution to the master equation along wi...
Directory of Open Access Journals (Sweden)
K. Ishioka
2000-01-01
Full Text Available Several technical suggestions to construct a high-resolution spectral model on a sphere (the T682 barotropic model are presented and their implementation of FORTRAN77 libraries is provided as a free software package ISPACK (http://www.gfd-dennou.org/arch/ispack/. A test experiment on decaying turbulence is conducted to demonstrate the ability of the model.
Computer simulation of rod-sphere mixtures
Antypov, D
2003-01-01
Results are presented from a series of simulations undertaken to investigate the effect of adding small spherical particles to a fluid of rods which would otherwise represent a liquid crystalline (LC) substance. Firstly, a bulk mixture of Hard Gaussian Overlap particles with an aspect ratio of 3:1 and hard spheres with diameters equal to the breadth of the rods is simulated at various sphere concentrations. Both mixing-demixing and isotropic-nematic transition are studied using Monte Carlo techniques. Secondly, the effect of adding Lennard-Jones particles to an LC system modelled using the well established Gay-Berne potential is investigated. These rod-sphere mixtures are simulated using both the original set of interaction parameters and a modified version of the rod-sphere potential proposed in this work. The subject of interest is the internal structure of the binary mixture and its dependence on density, temperature, concentration and various parameters characterising the intermolecular interactions. Both...
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.
Vector model for mapping of visual space to subjective 4-D sphere
Matuzevicius, Dalius; Vaitkevicius, Henrikas
2014-03-01
Here we present a mathematical model of binocular vision that maps a visible physical world to a subjective perception of it. The subjective space is a set of 4-D vectors whose components are outputs of four monocular neurons from each of the two eyes. Monocular neurons have one of the four types of concentric receptive fields with Gabor-like weighting coefficients. Next this vector representation of binocular vision is implemented as a pool of neurons where each of them is selective to the object's particular location in a 3-D visual space. Formally each point of the visual space is being projected onto a 4-D sphere. Proposed model allows determination of subjective distances in depth and direction, provides computational means for determination of Panum's area and explains diplopia and allelotropia.
Locally-orthogonal, unstructured grid-generation for general circulation modelling on the sphere
Engwirda, Darren
2016-01-01
An algorithm for the generation of non-uniform, locally-orthogonal staggered unstructured grids on spheroidal geometries is described. This technique is designed to generate high-quality staggered Voronoi/Delaunay dual meshes appropriate for general circulation modelling on the sphere, including applications to atmospheric simulation, ocean-modelling and numerical weather predication. Using a recently developed Frontal-Delaunay refinement technique, a method for the construction of guaranteed-quality, unstructured spheroidal Delaunay triangulations is introduced. A locally-orthogonal polygonal grid, derived from the associated Voronoi diagram, is computed as the staggered dual. The initial staggered Voronoi/Delaunay tessellation is iteratively improved through hill-climbing optimisation techniques. It is shown that this approach typically produces grids with very high element quality and smooth grading characteristics, while imposing relatively low computational expense. Initial results are presented for a se...
Counting Tensor Model Observables and Branched Covers of the 2-Sphere
Geloun, Joseph Ben
2013-01-01
Lattice gauge theories of permutation groups with a simple topological action (henceforth permutation-TFTs) have recently found several applications in the combinatorics of quantum field theories (QFTs). They have been used to solve counting problems of Feynman graphs in QFTs and ribbon graphs of large $N$, often revealing inter-relations between different counting problems. In another recent development, tensor theories generalizing matrix theories have been actively developed as models of random geometry in three or more dimensions. Here, we apply permutation-TFT methods to count gauge invariants for tensor models (colored as well as non-colored), exhibiting a relationship with counting problems of branched covers of the 2-sphere, where the rank $d$ of the tensor gets related to a number of branch points. We give explicit generating functions for the relevant counting and describe algorithms for the enumeration of the invariants. As well as the classic count of Hurwitz equivalence classes of branched covers...
Bayesian mixture models for spectral density estimation
Cadonna, Annalisa
2017-01-01
We introduce a novel Bayesian modeling approach to spectral density estimation for multiple time series. Considering first the case of non-stationary timeseries, the log-periodogram of each series is modeled as a mixture of Gaussiandistributions with frequency-dependent weights and mean functions. The implied model for the log-spectral density is a mixture of linear mean functionswith frequency-dependent weights. The mixture weights are built throughsuccessive differences of a logit-normal di...
Hanus, Josef; Viikinkoski, Matti; Yang, Bin; Kaasalainen, Mikko
2016-01-01
Asteroid (130) Elektra belongs to one of the six known triple asteroids in the main belt, so its mass has been reliably determined. We aim to use all available disk-resolved images of (130) Elektra obtained by the SPHERE instrument at VLT and by the Nirc2 of the Keck telescope together with the disk-integrated photometry to determine its shape model and its size. The volume can be then used in combination with the known mass to derive the bulk density of the primary. We apply the All-Data Asteroid Modeling (ADAM) algorithm to the optical disk-integrated data, 2 disk-resolved images obtained by the SPHERE instrument and 13 disk-resolved images from the Nirc2 of the Keck telescope, and derive the shape model and size of Elektra. We present the shape model, volume-equivalent diameter (199$\\pm$7 km) and bulk density (1.60$\\pm$0.13 g cm$^{-3}$) of the C-type asteroid Elektra.
Improvement and extension of the generalized hard-sphere reaction probability model.
Schübler, M A; Petkow, D; Herdrich, G
2012-04-01
The GHS (Generalized Hard Sphere)-based standard reaction probability model commonly used in probabilistic particle methods is evaluated. We show that the original model has no general validity with respect to the molecular reaction. Mathematical consistency exists only for reactions with vanishing activation energy. For small energies close to the activation threshold the individual reaction probability for the special case of associative ionization of atomic nitrogen diverges. This makes the model extremely expensive, and nonphysical. An improved model is derived, and its implementation is verified on basis of the aforementioned reaction. Both models converge to the same value at large energies. The relative error of the original model with respect to the new model is independent of the particle pairing and, hence, of the reaction type. The error is smaller than 1% for collision energies in excess of 200 times the activation energy. For typical simulation problems like atmospheric high-enthalpy entry flows (assuming heavy-particle temperatures on the order of 10000 K) the relative error is in the order of 10(5)%.
Pairwise Interaction Extended Point Particle (PIEP) Model for a Random Array of Spheres
Akiki, Georges; Jackson, Thomas; Balachandar, Sivaramakrishnan; CenterCompressible Multiphase Turbulence Team
2016-11-01
This study investigates a flow past random array of spherical particles. The understanding of the governing forces within these arrays is crucial for obtaining accurate models used in particle-laden simulations. These models have to faithfully reflect the sub-grid interactions between the particles and the continuous phase. The models being used today assumes an average force on all particles within the array based on the mean volume fraction and Reynolds number. Here, we develop a model which can compute the drag and lateral forces on each particle by accounting for the precise location of few surrounding neighbors. A pairwise interaction is assumed where the perturbation flow induced by each neighbor is considered separately, then the effect of all neighbors are linearly superposed to obtain the total perturbation. Faxén correction is used to quantify the force perturbation due to the presence of the neighbors. The single neighbor perturbations are mapped in the vicinity of a reference sphere and stored as libraries. We test the Pairwise Interaction Extended Point-Particle (PIEP) model for random arrays at two different volume fractions of ϕ = 0 . 1 and 0.21 and Reynolds number in the range 16 DNS performed using immersed boundary method. We observe the PIEP model prediction to correlate much better with the DNS results than the classical mean drag model prediction.
Electro-Optomechanical Transduction & Quantum Hard-Sphere Model for Dissipative Rydberg-EIT Media
DEFF Research Database (Denmark)
Zeuthen, Emil
transduction functionality into the well-established framework of electrical engineering, thereby facilitating its implementation in potential applications such as nuclear magnetic resonance imaging and radio astronomy. We consider such optomechanical sensing of weak electrical signals and discuss how...... the equivalent circuit formalism can be used to optimize the electrical circuit design. We also discuss the parameter requirements for transducing microwave photons in the quantum regime. Part II: Effective photon-photon interactions can be engineered by combining long-range Rydberg interactions between atoms....... We introduce a new approach to analyzing this challenging many-body problem in the limit of large optical depth per blockade radius. The idea is to separate the single-polariton EIT physics from the Rydberg-Rydberg interactions in a serialized manner while using a hard-sphere model for the latter...
Lacitignola, Deborah; Bozzini, Benedetto; Frittelli, Massimo; Sgura, Ivonne
2017-07-01
The present paper deals with the pattern formation properties of a specific morpho-electrochemical reaction-diffusion model on a sphere. The physico-chemical background to this study is the morphological control of material electrodeposited onto spherical particles. The particular experimental case of interest refers to the optimization of novel metal-air flow batteries and addresses the electrodeposition of zinc onto inert spherical supports. Morphological control in this step of the high-energy battery operation is crucial to the energetic efficiency of the recharge process and to the durability of the whole energy-storage device. To rationalise this technological challenge within a mathematical modeling perspective, we consider the reaction-diffusion system for metal electrodeposition introduced in [Bozzini et al., J. Solid State Electr.17, 467-479 (2013)] and extend its study to spherical domains. Conditions are derived for the occurrence of the Turing instability phenomenon and the steady patterns emerging at the onset of Turing instability are investigated. The reaction-diffusion system on spherical domains is solved numerically by means of the Lumped Surface Finite Element Method (LSFEM) in space combined with the IMEX Euler method in time. The effect on pattern formation of variations in the domain size is investigated both qualitatively, by means of systematic numerical simulations, and quantitatively by introducing suitable indicators that allow to assign each pattern to a given morphological class. An experimental validation of the obtained results is finally presented for the case of zinc electrodeposition from alkaline zincate solutions onto copper spheres.
Note: Sound velocity of a soft sphere model near the fluid-solid phase transition.
Khrapak, Sergey A
2016-03-28
The quasilocalized charge approximation is applied to estimate the sound velocity of simple soft sphere fluid with the repulsive inverse-power-law interaction. The obtained results are discussed in the context of the sound velocity of the hard-sphere system and of liquid metals at the melting temperature.
Alavi, Farzad; Feyzi, Farzaneh
2013-01-14
Radial and triplet correlation functions of the reference hard sphere system are determined at several solid densities by canonical Monte Carlo (MC) simulations. These customized data are used to extend the second order thermodynamic perturbation theory (TPT) to the solid phase of flexible hard chain systems. In order to test the accuracy of the TPT equation of state (EOS) for hard chains, MC simulations are carried out for systems of chain length 4 to 15. Several simulations are performed in the isobaric-isothermal ensemble to obtain the high-density EOS of hard chains in the fluid and solid phases. To determine solid-fluid equilibrium (SFE), Helmholtz free energies of solid crystals at a reference density are determined in a series of canonical MC simulations. As the chain length increases, asymptotic behaviors are observed in the coexistence pressure and densities of fluid and solid phases. It is found that the accuracy of TPT for EOS and SFE in systems of hard chains greatly improves by extending it to second order.
A Fokker-Planck model of hard sphere gases based on H-theorem
Gorji, M. Hossein; Torillhon, Manuel
2016-11-01
It has been shown recently that the Fokker-Planck kinetic model can be employed as an approximation of the Boltzmann equation for rarefied gas flow simulations [4, 5, 10]. Similar to the direct simulation Monte-Carlo (DSMC), the Fokker-Planck solution algorithm is based on the particle Monte-Carlo representation of the distribution function. Yet opposed to DSMC, here the particles evolve along independent stochastic paths where no collisions need to be resolved. This leads to significant computational advantages over DSMC, considering small Knudsen numbers [10]. The original Fokker-Planck model (FP) for rarefied gas flow simulations was devised according to the Maxwell type pseudo-molecules [4, 5]. In this paper a consistent Fokker-Planck equation is derived based on the Boltzmann collision integrals and maximum entropy distribution. Therefore the resulting model fulfills the H-theorem and leads to correct relaxation of velocity moments up to heat fluxes consistent with hard sphere interactions. For assessment of the model, simulations are performed for Mach 5 flow around a vertical plate using both Fokker-Planck and DSMC simulations. Compared to the original FP model, significant improvements are achieved at high Mach flows.
Fischer, Lukas P.; Peter, Toni; Holm, Christian; de Graaf, Joost
2015-08-01
The so-called "raspberry" model refers to the hybrid lattice-Boltzmann and Langevin molecular dynamics scheme for simulating the dynamics of suspensions of colloidal particles, originally developed by Lobaskin and Dünweg [New J. Phys. 6, 54 (2004)], wherein discrete surface points are used to achieve fluid-particle coupling. This technique has been used in many simulation studies on the behavior of colloids. However, there are fundamental questions with regards to the use of this model. In this paper, we examine the accuracy with which the raspberry method is able to reproduce Stokes-level hydrodynamic interactions when compared to analytic expressions for solid spheres in simple-cubic crystals. To this end, we consider the quality of numerical experiments that are traditionally used to establish these properties and we discuss their shortcomings. We show that there is a discrepancy between the translational and rotational mobility reproduced by the simple raspberry model and present a way to numerically remedy this problem by adding internal coupling points. Finally, we examine a non-convex shape, namely, a colloidal dumbbell, and show that the filled raspberry model replicates the desired hydrodynamic behavior in bulk for this more complicated shape. Our investigation is continued in de Graaf et al. [J. Chem. Phys. 143, 084108 (2015)], wherein we consider the raspberry model in the confining geometry of two parallel plates.
Lattice Boltzmann model with nearly constant density.
Fang, Hai-ping; Wan, Rong-zheng; Lin, Zhi-fang
2002-09-01
An improved lattice Boltzmann model is developed to simulate fluid flow with nearly constant fluid density. The ingredient is to incorporate an extra relaxation for fluid density, which is realized by introducing a feedback equation in the equilibrium distribution functions. The pressure is dominated by the moving particles at a node, while the fluid density is kept nearly constant and explicit mass conservation is retained as well. Numerical simulation based on the present model for the (steady) plane Poiseuille flow and the (unsteady) two-dimensional Womersley flow shows a great improvement in simulation results over the previous models. In particular, the density fluctuation has been reduced effectively while achieving a relatively large pressure gradient.
Combinatorial nuclear level-density model
Energy Technology Data Exchange (ETDEWEB)
Moller, Peter [Los Alamos National Laboratory; Aberg, Sven [LUND SWEDEN; Uhrenhoit, Henrik [LUND SWEDEN; Ickhikawa, Takatoshi [RIKEN
2008-01-01
A microscopic nuclear level-density model is presented. The model is a completely combinatorial (micro-canonical) model based on the folded-Yukawa single-particle potential and includes explicit treatment of pairing, rotational and vibrational states. The microscopic character of all states enables extraction of level distribution functions with respect to pairing gaps, parity and angular momentum. The results of the model are compared to available experimental data: neutron separation energy level spacings, data on total level-density functions from the Oslo method and data on parity ratios.
Density functional theory and multiscale materials modeling
Indian Academy of Sciences (India)
Swapan K Ghosh
2003-01-01
One of the vital ingredients in the theoretical tools useful in materials modeling at all the length scales of interest is the concept of density. In the microscopic length scale, it is the electron density that has played a major role in providing a deeper understanding of chemical binding in atoms, molecules and solids. In the intermediate mesoscopic length scale, an appropriate picture of the equilibrium and dynamical processes has been obtained through the single particle number density of the constituent atoms or molecules. A wide class of problems involving nanomaterials, interfacial science and soft condensed matter has been addressed using the density based theoretical formalism as well as atomistic simulation in this regime. In the macroscopic length scale, however, matter is usually treated as a continuous medium and a description using local mass density, energy density and other related density functions has been found to be quite appropriate. A unique single unified theoretical framework that emerges through the density concept at these diverse length scales and is applicable to both quantum and classical systems is the so called density functional theory (DFT) which essentially provides a vehicle to project the many-particle picture to a single particle one. Thus, the central equation for quantum DFT is a one-particle Schrödinger-like Kohn–Sham equation, while the same for classical DFT consists of Boltzmann type distributions, both corresponding to a system of noninteracting particles in the field of a density-dependent effective potential. Selected illustrative applications of quantum DFT to microscopic modeling of intermolecular interaction and that of classical DFT to a mesoscopic modeling of soft condensed matter systems are presented.
Institute of Scientific and Technical Information of China (English)
无
2011-01-01
This paper presents a theoretical model on the normal(head-on) collision between soft-spheres on the basis of elastic loading of the Hertz contact for compression process and a nonlinear plastic unloading for restitution one,in which the parameters all are determined in terms of the material and geometric ones of the spheres,and the behaviors of perfect elastic,inelastic,and perfect plastic collisions appeared in the classical mechanics are fully described once a value of coefficient of restitution is speci...
Mokhov, Igor I; Chefranov, Alexander G
2012-01-01
It is shown for the first time that only an antipodal vortex pair (APV) is the elementary singular vortex object on the sphere compatible with the hydrodynamic equations. The exact weak solution of the absolute vorticity equation on the rotating sphere is obtained in the form of Hamiltonian dynamic system for interacting APVs. This is the first model describing interaction of Barrett vortices corresponding to atmospheric centers of action (ACA). In particular, new steady-state conditions for N=2 are obtained. These analytical conditions are used for the analysis of coupled cyclone-anticyclone ACAs over oceans in the Northern Hemisphere.
Directory of Open Access Journals (Sweden)
K. Saha
2011-03-01
Full Text Available Multi asperity elastic-plastic adhesive contact between a smooth sphere and a rough flat surface is considered. To incorporate the effect of adhesion, JKR (Johnson–Kendall–Roberts contacts are assumed and the mixed asperity contact model for a sphere with rough flats, developed by Kagami et al, is used. The results are obtained in terms of plots of radial pressure distribution, contact radius versus load, and compliance versus load and they are studied for different conditions that arise from varying loading and material parameters. The results obtained exhibit a negative pressure region at the edge of contact. It is observed that larger sphere radius gives lower pressure distribution and lower compliance.
The vanishing limit of the square-well fluid: the adhesive hard-sphere model as a reference system.
Largo, J; Miller, M A; Sciortino, F
2008-04-07
We report a simulation study of the gas-liquid critical point for the square-well potential, for values of well width delta as small as 0.005 times the particle diameter sigma. For small delta, the reduced second virial coefficient at the critical point B2*c is found to depend linearly on delta. The observed weak linear dependence is not sufficient to produce any significant observable effect if the critical temperature Tc is estimated via a constant B2*c assumption, due to the highly nonlinear transformation between B2*c and Tc. This explains the previously observed validity of the law of corresponding states. The critical density rho c is also found to be constant when measured in units of the cube of the average distance between two bonded particles (1+0.5 delta)sigma. The possibility of describing the delta-->0 dependence with precise functional forms provides improved accurate estimates of the critical parameters of the adhesive hard-sphere model.
Xie, Dexuan; Volkmer, Hans W.; Ying, Jinyong
2016-04-01
The nonlocal dielectric approach has led to new models and solvers for predicting electrostatics of proteins (or other biomolecules), but how to validate and compare them remains a challenge. To promote such a study, in this paper, two typical nonlocal dielectric models are revisited. Their analytical solutions are then found in the expressions of simple series for a dielectric sphere containing any number of point charges. As a special case, the analytical solution of the corresponding Poisson dielectric model is also derived in simple series, which significantly improves the well known Kirkwood's double series expansion. Furthermore, a convolution of one nonlocal dielectric solution with a commonly used nonlocal kernel function is obtained, along with the reaction parts of these local and nonlocal solutions. To turn these new series solutions into a valuable research tool, they are programed as a free fortran software package, which can input point charge data directly from a protein data bank file. Consequently, different validation tests can be quickly done on different proteins. Finally, a test example for a protein with 488 atomic charges is reported to demonstrate the differences between the local and nonlocal models as well as the importance of using the reaction parts to develop local and nonlocal dielectric solvers.
Xie, Dexuan; Volkmer, Hans W; Ying, Jinyong
2016-04-01
The nonlocal dielectric approach has led to new models and solvers for predicting electrostatics of proteins (or other biomolecules), but how to validate and compare them remains a challenge. To promote such a study, in this paper, two typical nonlocal dielectric models are revisited. Their analytical solutions are then found in the expressions of simple series for a dielectric sphere containing any number of point charges. As a special case, the analytical solution of the corresponding Poisson dielectric model is also derived in simple series, which significantly improves the well known Kirkwood's double series expansion. Furthermore, a convolution of one nonlocal dielectric solution with a commonly used nonlocal kernel function is obtained, along with the reaction parts of these local and nonlocal solutions. To turn these new series solutions into a valuable research tool, they are programed as a free fortran software package, which can input point charge data directly from a protein data bank file. Consequently, different validation tests can be quickly done on different proteins. Finally, a test example for a protein with 488 atomic charges is reported to demonstrate the differences between the local and nonlocal models as well as the importance of using the reaction parts to develop local and nonlocal dielectric solvers.
Optimal cytoplasmatic density and flux balance model under macromolecular crowding effects.
Vazquez, Alexei
2010-05-21
Macromolecules occupy between 34% and 44% of the cell cytoplasm, about half the maximum packing density of spheres in three dimension. Yet, there is no clear understanding of what is special about this value. To address this fundamental question we investigate the effect of macromolecular crowding on cell metabolism. We develop a cell scale flux balance model capturing the main features of cell metabolism at different nutrient uptakes and macromolecular densities. Using this model we show there are two metabolic regimes at low and high nutrient uptakes. The latter regime is characterized by an optimal cytoplasmatic density where the increase of reaction rates by confinement and the decrease by diffusion slow-down balance. More important, the predicted optimal density is in the range of the experimentally determined density of Escherichia coli.
Smith, Carol Lynn Kay
2009-01-01
This study contributes an approach to understanding the cognitive models underlying rhetorical arguments about the "first wave" of women's rights discourse in the United States, which began to emerge more publically with the Seneca Falls convention in 1848 and started to gain momentum in 1851 and beyond. The usage of the lexical item "sphere" (in…
Smith, Carol Lynn Kay
2009-01-01
This study contributes an approach to understanding the cognitive models underlying rhetorical arguments about the "first wave" of women's rights discourse in the United States, which began to emerge more publically with the Seneca Falls convention in 1848 and started to gain momentum in 1851 and beyond. The usage of the lexical item "sphere" (in…
Binary hard-sphere mixtures within spherical pores
Kim, S C; Lee, C H
1999-01-01
The free-energy model, which is based on the fundamental geometric measures of the particles, has been employed to investigate the structural properties of nonuniform hard-sphere mixtures within spherical pores. Monte Carlo simulation has been performed to calculate the density profiles of hard-sphere mixtures confined in spherical pores, and the simulation has been compared with the calculated results. Comparisons between the theoretical results and the simulation data have shown that the free-energy model demonstrates reliable accuracy and reproduces the simulation data accurately even for larger size ratios of hard spheres.
Capillary holdup between vertical spheres
Directory of Open Access Journals (Sweden)
S. Zeinali Heris
2009-12-01
Full Text Available The maximum volume of liquid bridge left between two vertically mounted spherical particles has been theoretically determined and experimentally measured. As the gravitational effect has not been neglected in the theoretical model, the liquid interface profile is nonsymmetrical around the X-axis. Symmetry in the interface profile only occurs when either the particle size ratio or the gravitational force becomes zero. In this paper, some equations are derived as a function of the spheres' sizes, gap width, liquid density, surface tension and body force (gravity/centrifugal to estimate the maximum amount of liquid that can be held between the two solid spheres. Then a comparison is made between the result based on these equations and several experimental results.
Nuclear level density: Shell-model approach
Sen'kov, Roman; Zelevinsky, Vladimir
2016-06-01
Knowledge of the nuclear level density is necessary for understanding various reactions, including those in the stellar environment. Usually the combinatorics of a Fermi gas plus pairing is used for finding the level density. Recently a practical algorithm avoiding diagonalization of huge matrices was developed for calculating the density of many-body nuclear energy levels with certain quantum numbers for a full shell-model Hamiltonian. The underlying physics is that of quantum chaos and intrinsic thermalization in a closed system of interacting particles. We briefly explain this algorithm and, when possible, demonstrate the agreement of the results with those derived from exact diagonalization. The resulting level density is much smoother than that coming from conventional mean-field combinatorics. We study the role of various components of residual interactions in the process of thermalization, stressing the influence of incoherent collision-like processes. The shell-model results for the traditionally used parameters are also compared with standard phenomenological approaches.
Rovibrationally Inelastic Atom-Molecule Collision Cross Sections from a Hard Sphere Model
Lashner, Jacob; Stewart, Brian
2016-05-01
Hard-shell models have long been used to elucidate the principal features of molecular energy transfer and exchange reaction in the A + BC system. Nevertheless, no three-dimensional hard-shell calculation of inelastic collision cross sections has been reported. This work aims to fill that void. A particular motivation comes from our experimental results, which show the importance of equatorial impacts in the vibrational excitation process. Working with the simple hard-sphere model, we incorporated secondary impacts, defined as those in which A strikes C after striking B. Such collisions are important in systems such as Li2 - X, in which vibrational energy transfer occurs principally through side impacts. We discuss the complexity this adds to the model and present fully three-dimensional cross sections for rovibrational excitation of an initially stationary molecule in the homonuclear A + B2 system, examining the cross section as a function of the masses and radii of the atoms. We show how the features in the cross section evolve as these parameters are varied and calculate the contribution of secondary (near-equatorial) impacts to the dynamics. We compare with recent measurements in our laboratory and with the results of quasiclassical trajectories.
Modeling density segregation in granular flow
Xiao, Hongyi; Lueptow, Richard; Umbanhowar, Paul
2015-11-01
A recently developed continuum-based model accurately predicts segregation in flows of granular mixtures varying in particle size by considering the interplay of advection, diffusion and segregation. In this research, we extend the domain of the model to include density driven segregation. Discrete Element Method (DEM) simulations of density bidisperse flows of mono-sized particles in a quasi-2D bounded heap were performed to determine the dependence of the density driven segregation velocity on local shear rate, particle concentration, and a segregation length which scales with the particle size and the logarithm of the density ratio. With these inputs, the model yields theoretical predictions of density segregation patterns that quantitatively match the DEM simulations over a range of density ratios (1.11-3.33) and flow rates (19.2-113.6 cm3/s). Matching experiments with various combinations of glass, steel and ceramic particles were also performed which reproduced the segregation patterns obtained in both the simulations and the theory.
A modified two-sphere model for solvent reorganization energy in electron transfer.
Wu, Han-Yu; Ren, Hai-Sheng; Zhu, Quan; Li, Xiang-Yuan
2012-04-28
In this work, the solvent reorganization energy is formulated within the framework of classical thermodynamics, by adding some external charges to construct a constrained equilibrium state. The derivation clearly shows that the reorganization energy is exactly the polarization cost for the inertial part of the polarization. We perform our derivation just within the framework of the first law of thermodynamics, and the final form of the reorganization energy is completely the same as that we gave in our recent work by defining a nonequilibrium solvation free energy. With the two-sphere model approximation, our solvent reorganization energy is derived as λ(0) = Δq(2)/2[1/r(D) + 1/r(A) - 2/d][(ε(-1)(op) - ε(-1)(s))/(1 - ε(-1)(s))]. This amends Marcus' model by a factor of (ε(-1)(op) - ε(-1)(s))/(1 - ε(-1)(s)), which is coupled with the solvent polarity. Making use of the modified expression of solvent reorganization energy, two recently reported electron transfer processes are investigated in representative solvents. The results show that our formula can well reproduce the experimental observations. This journal is © the Owner Societies 2012
Crown, S C
2004-01-01
A simple model is outlined to describe the collision of cast phenol-formaldehyde resin spheres such as the balls used in the parlor game of pocket billiards, based in part on the famous analysis of elastic collisions developed by Heinrich Hertz over 100 years ago. The analysis treats the normal and tangential components of the initial sphere's velocity independently as it collides with a stationary identical second sphere. The collective effects of these and other parameters on the trajectory of the second sphere are provided in the conclusions.
Density contrast indicators in cosmological dust models
Indian Academy of Sciences (India)
Filipe C Mena; Reza Tavakol
2000-10-01
We discuss ways of quantifying structuration in relativistic cosmological settings, by employing a family of covariant density constrast indicators. We study the evolution of these indicators with time in the context of inhomogeneous Szekeres models. We ﬁnd that different observers (having either different spatial locations or different indicators) see different evolutions for the density contrast, which may or may not be monotonically increasing with time. We also ﬁnd that monotonicity seems to be related to the initial conditions of the model, which may be of potential interest in connection with debates regarding gravitational entropy and the arrow of time.
Directory of Open Access Journals (Sweden)
M. Farhad Rahimi
2007-09-01
Full Text Available The energy levels of deformed nuclei could be determined by Nilsson model. In this model the deformation of a nucleus has an axial symmetry, but we have considered the energy levels of a non-spherical nucleus as an elliptic form, and solved it by a degenerate first order perturbation method. The original Hamiltonian is a mixture of Spherical Shell Model Hamiltonian and a perturbation term. We have solved this Hamiltonian with the quantum numbers corresponding to Nilsson model-parameters and deformed 3-axial model for the values of , then we obtained the corresponding energy levels and plot them.
Energy Technology Data Exchange (ETDEWEB)
Davidson, R.N.
1996-10-01
By predicting the total life-cycle cost of owning and operating production equipment, it becomes possible for processors to make accurate and intelligent decisions regarding major capitol equipment investments as well as determining the most cost effective manufacturing processes and environments. Cost of Ownership (COO) is a decision making technique based on inputting the total costs of acquiring, operating and maintaining production equipment. All quantitative economic and production data can be modeled and processed using COO software programs such as the Cost of Ownership Luminator program TWO COOL{trademark}. This report investigated the Cost of Ownership differences between the current state-of-the-art solder ball attachment process and a prototype solder jetting process developed by Sandia National Laboratories. The prototype jetting process is a novel and unique approach to address the anticipated high rate ball grid array (BGA) production requirements currently forecasted for the next decade. The jetting process, which is both economically and environmentally attractive eliminates the solder sphere fabrication step, the solder flux application step as well as the furnace reflow and post cleaning operations.
Life Stories in Context: Using the Three-Sphere Context Model To Analyze Amos's Narrative
Directory of Open Access Journals (Sweden)
Rivka Tuval-Mashiach
2014-07-01
Full Text Available Despite a wide theoretical consensus among narrative researchers about the importance of referring to context in analyzing narratives, it seems that the various contexts at work in individual life stories and the specific methodological implications of the importance of context are not that clear. In this paper, I will describe a model for context analysis, which refers to three distinct spheres of contexts in which narrators situate their life stories (Zilber, Tuval-Mashiach, & Lieblich, 2008. The first context involves the immediate inter-subjective relationships within and involving which a narrative is produced; the second comprises the collective social field in which a life and story have evolved; and the third surrounds the systems of broad cultural meaning or meta-narratives that underlie and give sense to any particular life story. In the second part of the paper, I will illustrate the three contexts in Amos's story, and claim that viewing his story as it is embedded through these three contexts not only situates it within a more general social framework, but also enables a deeper understanding of his identity and the core themes of his life-story.
Gelation and state diagram for a model nanoparticle system with adhesive hard sphere interactions
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).
Propulsion Physics Using the Chameleon Density Model
Robertson, Glen A.
2011-01-01
To grow as a space faring race, future spaceflight systems will require a new theory of propulsion. Specifically one that does not require mass ejection without limiting the high thrust necessary to accelerate within or beyond our solar system and return within a normal work period or lifetime. The Chameleon Density Model (CDM) is one such model that could provide new paths in propulsion toward this end. The CDM is based on Chameleon Cosmology a dark matter theory; introduced by Khrouy and Weltman in 2004. Chameleon as it is hidden within known physics, where the Chameleon field represents a scalar field within and about an object; even in the vacuum. The CDM relates to density changes in the Chameleon field, where the density changes are related to matter accelerations within and about an object. These density changes in turn change how an object couples to its environment. Whereby, thrust is achieved by causing a differential in the environmental coupling about an object. As a demonstration to show that the CDM fits within known propulsion physics, this paper uses the model to estimate the thrust from a solid rocket motor. Under the CDM, a solid rocket constitutes a two body system, i.e., the changing density of the rocket and the changing density in the nozzle arising from the accelerated mass. Whereby, the interactions between these systems cause a differential coupling to the local gravity environment of the earth. It is shown that the resulting differential in coupling produces a calculated value for the thrust near equivalent to the conventional thrust model used in Sutton and Ross, Rocket Propulsion Elements. Even though imbedded in the equations are the Universe energy scale factor, the reduced Planck mass and the Planck length, which relates the large Universe scale to the subatomic scale.
Institute of Scientific and Technical Information of China (English)
Jing Yuan; Zhenguo An; Bing Li; Jinjie Zhang
2012-01-01
Anatase TiO2 shells assembled on hollow glass microspheres (HGM) with tunable morphologies were successfully prepared through a controllable chemical precipitation method with urea as the precipitator.Thus,glass/TiO2 core/shell composite hollow spheres with low particle density (0.40 g/cm3) were fabricated.The phase structures,morphologies,particle sizes,shell thicknesses,and chemical compositions of the composite microspheres were characterized by X-ray diffraction (XRD),scanning electron microscopy (SEM),and energy dispersive X-ray spectroscopy (EDS).The morphology of the TiO2 shell can be tailored by properly monitoring the reaction system component and parameters.The probable growth mechanism and fabrication process of the core/shell products involving the nucleation and oriented growth of TiO2 nanocrystals on hollow glass microspheres was proposed.A low infrared radiation study revealed that the radiation properties of the products are greatly influenced by the unique product shell structures.A thermal conductivity study showed that the TiO2/HGM possess low thermal conductivity that is similar to that of the pristine HGMs.This work provides an additional strategy to prepare low-density thermal insulating particles with tailored morphologies and properties.
Modelling spatial density using continuous wavelet transforms
Indian Academy of Sciences (India)
D Sudheer Reddy; N Gopal Reddy; A K Anilkumar
2013-02-01
Due to increase in the satelite launch activities from many countries around the world the orbital debris issue has become a major concern for the space agencies to plan a collision-free orbit design. The risk of collisions is calculated using the in situ measurements and available models. Spatial density models are useful in understanding the long-term likelihood of a collision in a particular region of space and also helpful in pre-launch orbit planning. In this paper, we present a method of estimating model parameters such as number of peaks and peak locations of spatial density model using continuous wavelets. The proposed methodology was experimented with two line element data and the results are presented.
Spatially-explicit models of global tree density
Glick, Henry B.; Bettigole, Charlie; Maynard, Daniel S.; Covey, Kristofer R.; Smith, Jeffrey R.; Crowther, Thomas W.
2016-08-01
Remote sensing and geographic analysis of woody vegetation provide means of evaluating the distribution of natural resources, patterns of biodiversity and ecosystem structure, and socio-economic drivers of resource utilization. While these methods bring geographic datasets with global coverage into our day-to-day analytic spheres, many of the studies that rely on these strategies do not capitalize on the extensive collection of existing field data. We present the methods and maps associated with the first spatially-explicit models of global tree density, which relied on over 420,000 forest inventory field plots from around the world. This research is the result of a collaborative effort engaging over 20 scientists and institutions, and capitalizes on an array of analytical strategies. Our spatial data products offer precise estimates of the number of trees at global and biome scales, but should not be used for local-level estimation. At larger scales, these datasets can contribute valuable insight into resource management, ecological modelling efforts, and the quantification of ecosystem services.
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 Fe(2)S(2) 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 S²⁻) transfer from an oxidized Fe(2)S(2) 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 Fe(2)S(2) cluster consistent with experimental data. The Arg260 bound to Fe1, being a weaker donor than cysteine bound to Fe(2), 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 ΔG(≠) of 17.1 kcal/mol while its decay by the formation of the 2nd C6-S bond is calculated to have a ΔG(≠) 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 Fe(2)S(2) 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 Fe(2)S(2) 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.
Computer simulation of rod-sphere mixtures
Energy Technology Data Exchange (ETDEWEB)
Antypov, Dmytro
2003-07-01
Results are presented from a series of simulations undertaken to investigate the effect of adding small spherical particles to a fluid of rods which would otherwise represent a liquid crystalline (LC) substance. Firstly, a bulk mixture of Hard Gaussian Overlap particles with an aspect ratio of 3:1 and hard spheres with diameters equal to the breadth of the rods is simulated at various sphere concentrations. Both mixing-demixing and isotropic-nematic transition are studied using Monte Carlo techniques. Secondly, the effect of adding Lennard-Jones particles to an LC system modelled using the well established Gay-Berne potential is investigated. These rod-sphere mixtures are simulated using both the original set of interaction parameters and a modified version of the rod-sphere potential proposed in this work. The subject of interest is the internal structure of the binary mixture and its dependence on density, temperature, concentration and various parameters characterising the intermolecular interactions. Both the mixing-demixing behaviour and the transitions between the isotropic and any LC phases have been studied for four systems which differ in the interaction potential between unlike particles. A range of contrasting microphase separated structures including bicontinuous, cubic, and micelle-like arrangement have been observed in bulk. Thirdly, the four types of mixtures previously studied in bulk are subjected to a static magnetic field. A variety of novel phases are observed for the cases of positive and negative anisotropy in the magnetic susceptibility. These include a lamellar structure, in which layers of rods are separated by layers of spheres, and a configuration with a self-assembling hexagonal array of spheres. Finally, two new models are presented to study liquid crystal mixtures in the presence of curved substrates. These are implemented for the cases of convex and concave spherical surfaces. The simulation results obtained in these geometries
DEFF Research Database (Denmark)
Trenz, Hans-Jörg
2015-01-01
of the collective will of the people in the act of democratic self-government. The concept of the public sphere is used across the fields of media and communication research, cultural studies and the humanities, the history of ideas, legal and constitutional studies as well as democracy studies. Historically......In modern societies, the public sphere represents the intermediary realm that supports the communication of opinions, the discovery of problems that need to be dealt with collectively, the channeling of these problems through the filter of the media and political institutions, and the realization......, public spheres have undergone structural transformations that were closely connected to the emergence of different mass media. More recently, they are subject to trends of transnationalization and digitalization in politics and society....
DEFF Research Database (Denmark)
Trenz, Hans-Jörg
2015-01-01
In modern societies, the public sphere represents the intermediary realm that supports the communication of opinions, the discovery of problems that need to be dealt with collectively, the channeling of these problems through the filter of the media and political institutions, and the realization......, public spheres have undergone structural transformations that were closely connected to the emergence of different mass media. More recently, they are subject to trends of transnationalization and digitalization in politics and society....... of the collective will of the people in the act of democratic self-government. The concept of the public sphere is used across the fields of media and communication research, cultural studies and the humanities, the history of ideas, legal and constitutional studies as well as democracy studies. Historically...
Zhou, Alice Qinhua; O'Hern, Corey S; Regan, Lynne
2014-10-01
The side-chain dihedral angle distributions of all amino acids have been measured from myriad high-resolution protein crystal structures. However, we do not yet know the dominant interactions that determine these distributions. Here, we explore to what extent the defining features of the side-chain dihedral angle distributions of different amino acids can be captured by a simple physical model. We find that a hard-sphere model for a dipeptide mimetic that includes only steric interactions plus stereochemical constraints is able to recapitulate the key features of the back-bone dependent observed amino acid side-chain dihedral angle distributions of Ser, Cys, Thr, Val, Ile, Leu, Phe, Tyr, and Trp. We find that for certain amino acids, performing the calculations with the amino acid of interest in the central position of a short α-helical segment improves the match between the predicted and observed distributions. We also identify the atomic interactions that give rise to the differences between the predicted distributions for the hard-sphere model of the dipeptide and that of the α-helical segment. Finally, we point out a case where the hard-sphere plus stereochemical constraint model is insufficient to recapitulate the observed side-chain dihedral angle distribution, namely the distribution P(χ₃) for Met.
Hard sphere packings within cylinders.
Fu, Lin; Steinhardt, William; Zhao, Hao; Socolar, Joshua E S; Charbonneau, Patrick
2016-03-07
Arrangements of identical hard spheres confined to a cylinder with hard walls have been used to model experimental systems, such as fullerenes in nanotubes and colloidal wire assembly. Finding the densest configurations, called close packings, of hard spheres of diameter σ in a cylinder of diameter D is a purely geometric problem that grows increasingly complex as D/σ increases, and little is thus known about the regime for D > 2.873σ. In this work, we extend the identification of close packings up to D = 4.00σ by adapting Torquato-Jiao's adaptive-shrinking-cell formulation and sequential-linear-programming (SLP) technique. We identify 17 new structures, almost all of them chiral. Beyond D ≈ 2.85σ, most of the structures consist of an outer shell and an inner core that compete for being close packed. In some cases, the shell adopts its own maximum density configuration, and the stacking of core spheres within it is quasiperiodic. In other cases, an interplay between the two components is observed, which may result in simple periodic structures. In yet other cases, the very distinction between the core and shell vanishes, resulting in more exotic packing geometries, including some that are three-dimensional extensions of structures obtained from packing hard disks in a circle.
Note: equation of state and the freezing point in the hard-sphere model.
Robles, Miguel; López de Haro, Mariano; Santos, Andrés
2014-04-07
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.
Absolute Stability Limit for Relativistic Charged Spheres
Giuliani, Alessandro
2007-01-01
We find an exact solution for the stability limit of relativistic charged spheres for the case of constant gravitational mass density and constant charge density. We argue that this provides an absolute stability limit for any relativistic charged sphere in which the gravitational mass density decreases with radius and the charge density increases with radius. We then provide a cruder absolute stability limit that applies to any charged sphere with a spherically symmetric mass and charge distribution. We give numerical results for all cases. In addition, we discuss the example of a neutral sphere surrounded by a thin, charged shell.
A Solvable Model for Fermion masses on a warped 6D world with the extra 2D sphere
Kokado, Akira
2014-01-01
In a warped 6D world with an extra 2-dimensional sphere, we propose an exactly solvable model for fermion masses with zero mode. The warp factor is given by $\\phi (\\theta ,\\varphi )=\\sin{\\theta }\\cos{\\varphi }$, which is a solution to the 6D Einstein equation with the bulk cosmological constant $\\Lambda $ and the energy-momentum tensor of the bulk matter fields. Our model provides another possibility of obtaining fermion zero mode, rather than traditional model based on Dirac's monopole.
Teaching Chemistry with Electron Density Models
Shusterman, Gwendolyn P.; Shusterman, Alan J.
1997-07-01
Linus Pauling once said that a topic must satisfy two criteria before it can be taught to students. First, students must be able to assimilate the topic within a reasonable amount of time. Second, the topic must be relevant to the educational needs and interests of the students. Unfortunately, the standard general chemistry textbook presentation of "electronic structure theory", set as it is in the language of molecular orbitals, has a difficult time satisfying either criterion. Many of the quantum mechanical aspects of molecular orbitals are too difficult for most beginning students to appreciate, much less master, and the few applications that are presented in the typical textbook are too limited in scope to excite much student interest. This article describes a powerful new method for teaching students about electronic structure and its relevance to chemical phenomena. This method, which we have developed and used for several years in general chemistry (G.P.S.) and organic chemistry (A.J.S.) courses, relies on computer-generated three-dimensional models of electron density distributions, and largely satisfies Pauling's two criteria. Students find electron density models easy to understand and use, and because these models are easily applied to a broad range of topics, they successfully convey to students the importance of electronic structure. In addition, when students finally learn about orbital concepts they are better prepared because they already have a well-developed three-dimensional picture of electronic structure to fall back on. We note in this regard that the types of models we use have found widespread, rigorous application in chemical research (1, 2), so students who understand and use electron density models do not need to "unlearn" anything before progressing to more advanced theories.
Multidensity integral-equation theory for short diblock hard-sphere-sticky-hard-sphere chains.
Wu, Ning; Chiew, Y C
2010-04-01
The multidensity Ornstein-Zernike integral equation theory is applied to study a simple model of hard sphere/sticky hard sphere diblock chains. The multidensity integral equation formalism has been successfully used to model the equilibrium structure and thermodynamic properties of homonuclear chains and shorter dimer fluids; to our knowledge it has not been applied to model diblock chains. In this work, a diblock chain fluids is represented by an m-component equal molar mixture of hard spheres with species 1,2,...,mh and sticky hard spheres with species mh+1,mh+2,...,m. Each spherical particle has two attractive sites A and B except species 1 and m, which have only one site per particle. In the limit of complete association, this mixture yields a system of monodisperse diblock chains. A general solution of this model is obtained in the Percus-Yevick, Polymer Percus-Yevick and ideal chain approximations. Both structural and thermodynamic properties of this model are investigated. From this study, a microphase separation is predicted for relatively short diblock symmetric and asymmetric chains. This microphase separation is enhanced at lower temperature and higher density. When chain length increases, the phase transition changes from a microphase level to a macrophase level. The size of microdomain structure is found to be dependent on total chain length, relative ratio of block lengths, temperature, and density.
Energy Technology Data Exchange (ETDEWEB)
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.
A fundamental measure density functional for fluid and crystal phases of the Asakura-Oosawa model
Mortazavifar, Mostafa; Oettel, Martin
2016-06-01
We investigate a density functional for the Asakura-Oosawa model of colloid-polymer mixtures, describing both fluid and crystal phases. It is derived by linearizing the two-component fundamental-measure hard sphere tensor functional in the second (polymer) component. We discuss the formulation of an effective density functional for colloids only. For small polymer-colloid size ratios the effective, polymer-induced potential between colloids is short-range attractive and of two-body form but we show that the effective density functional is not equivalent to standard mean-field approaches where attractions are taken into account by terms second order in the colloid density. We calculate numerically free energies and phase diagrams in good agreement with available simulations, furthermore we discuss the colloid and polymer distributions in the crystal and determine equilibrium vacancy concentrations. Numerical results reveal a fairly strong sensitivity to the specific type of underlying fundamental measure hard sphere functional which could aid further development of fundamental measure theory.
The Design of Electronic Tax Model Based on IBM WebSphere MQ%基于IBM WebSphere MQ的电子缴税模型的设计
Institute of Scientific and Technical Information of China (English)
李满玲
2013-01-01
IBM WebSphere MQ is a good message oriented middleware, in a consistent, reliable and easy to manage mode to connect applications, and cross department, enterprise wide integration provides a reliable basis for. The IBM WebSphere MQ technology is introduced into the design of electronic payment model, experiments show that, the model is convenient taxpayers tax, and improve the tax rate, to realize information sharing fiscal, tax, treasury.%IBM WebSphere MQ是一个优秀的消息中间件，以一致的、可靠的和易于管理的方式来连接应用程序，并为跨部门、企业范围的集成提供了可靠的基础。该文提出将IBM WebSphere MQ技术引入到电子缴税模型的设计中，实验证明，该模型方便了纳税人缴税，有利于提高税款入库速度，实现财政、税务、国库间信息共享。
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.
Construction of semi-dynamic model of subduction zone with given plate kinematics in 3D sphere
Morishige, M.; Honda, S.; Tackley, P. J.
2010-09-01
We present a semi-dynamic subduction zone model in a three-dimensional spherical shell. In this model, velocity is imposed on the top surface and in a small three-dimensional region around the shallow plate boundary while below this region, the slab is able to subduct under its own weight. Surface plate velocities are given by Euler's theorem of rigid plate rotation on a sphere. The velocity imposed in the region around the plate boundary is determined so that mass conservation inside the region is satisfied. A kinematic trench migration can be easily incorporated in this model. As an application of this model, mantle flow around slab edges is considered, and we find that the effect of Earth curvature is small by comparing our model with a similar one in a rectangular box, at least for the parameters used in this study. As a second application of the model, mantle flow around a plate junction is studied, and we find the existence of mantle return flow perpendicular to the plate boundary. Since this model can naturally incorporate the spherical geometry and plate movement on the sphere, it is useful for studying a specific subduction zone where the plate kinematics is well constrained.
Haphazard Packing of Unequal Spheres
Institute of Scientific and Technical Information of China (English)
叶大年; 张金民
1991-01-01
Haphazard packing of equal and unequal spheres can be performed for the spheres of molecular sieve material with a density of 1.80.The packing of such spheres in air is equivalent to that of nat-ural grains in water.Packing concentrations of equal spheres have been obtained for different pac-king intensities.Unequal spheres can be regarded as equal ones in a wide range of diameter ratios,so far as the packing concentration is concerned.A threshold of diameter ratio exists at 0.70,be-low which the packing concentration is expected to increase.The variation curves of concentration vs.diameter ratio were established in the experiment.The result will help us to understand the process of sedimentation and the concentration of voids in sedimentary rocks.
Model-based sphere localization (MBSL) in x-ray projections
Sawall, Stefan; Maier, Joscha; Leinweber, Carsten; Funck, Carsten; Kuntz, Jan; Kachelrieß, Marc
2017-08-01
The detection of spherical markers in x-ray projections is an important task in a variety of applications, e.g. geometric calibration and detector distortion correction. Therein, the projection of the sphere center on the detector is of particular interest as the used spherical beads are no ideal point-like objects. Only few methods have been proposed to estimate this respective position on the detector with sufficient accuracy and surrogate positions, e.g. the center of gravity, are used, impairing the results of subsequent algorithms. We propose to estimate the projection of the sphere center on the detector using a simulation-based method matching an artificial projection to the actual measurement. The proposed algorithm intrinsically corrects for all polychromatic effects included in the measurement and absent in the simulation by a polynomial which is estimated simultaneously. Furthermore, neither the acquisition geometry nor any object properties besides the fact that the object is of spherical shape need to be known to find the center of the bead. It is shown by simulations that the algorithm estimates the center projection with an error of less than 1% of the detector pixel size in case of realistic noise levels and that the method is robust to the sphere material, sphere size, and acquisition parameters. A comparison to three reference methods using simulations and measurements indicates that the proposed method is an order of magnitude more accurate compared to these algorithms. The proposed method is an accurate algorithm to estimate the center of spherical markers in CT projections in the presence of polychromatic effects and noise.
Schmiedeberg, Michael
2013-05-01
By using molecular-dynamics simulations, we determine the jamming phase diagrams at high densities for a bidisperse mixture of soft spheres that interact according to repulsive power-law pair potentials. We observe that the relaxation time varies nonmonotonically as a function of density at constant temperature. Therefore, the jamming phase diagrams contain multiple reentrant glass transitions if temperature and density are used as control parameters. However, if we consider a new formulation of the jamming phase diagrams where temperature over pressure and pressure are employed as control parameters, no nonmonotonic behavior is observed.
Wolf, A. S.; Asimow, P. D.; Stevenson, D. J.
2015-12-01
Recent first-principles calculations (e.g. Stixrude, 2009; de Koker, 2013), shock-wave experiments (Mosenfelder, 2009), and diamond-anvil cell investigations (Sanloup, 2013) indicate that silicate melts undergo complex structural evolution at high pressure. The observed increase in cation-coordination (e.g. Karki, 2006; 2007) induces higher compressibilities and lower adiabatic thermal gradients in melts as compared with their solid counterparts. These properties are crucial for understanding the evolution of impact-generated magma oceans, which are dominated by the poorly understood behavior of silicates at mantle pressures and temperatures (e.g. Stixrude et al. 2009). Probing these conditions is difficult for both theory and experiment, especially given the large compositional space (MgO-SiO2-FeO-Al2O3-etc). We develop a new model to understand and predict the behavior of oxide and silicate melts at extreme P-T conditions (Wolf et al., 2015). The Coordinated Hard Sphere Mixture (CHaSM) extends the Hard Sphere mixture model, accounting for the range of coordination states for each cation in the liquid. Using approximate analytic expressions for the hard sphere model, this fast statistical method compliments classical and first-principles methods, providing accurate thermodynamic and structural property predictions for melts. This framework is applied to the MgO system, where model parameters are trained on a collection of crystal polymorphs, producing realistic predictions of coordination evolution and the equation of state of MgO melt over a wide P-T range. Typical Mg-coordination numbers are predicted to evolve continuously from 5.25 (0 GPa) to 8.5 (250 GPa), comparing favorably with first-principles Molecular Dynamics (MD) simulations. We begin extending the model to a simplified mantle chemistry using empirical potentials (generally accurate over moderate pressure ranges, compression.
Modeling Spectra of Icy Satellites and Cometary Icy Particles Using Multi-Sphere T-Matrix Code
Kolokolova, Ludmilla; Mackowski, Daniel; Pitman, Karly M.; Joseph, Emily C. S.; Buratti, Bonnie J.; Protopapa, Silvia; Kelley, Michael S.
2016-10-01
The Multi-Sphere T-matrix code (MSTM) allows rigorous computations of characteristics of the light scattered by a cluster of spherical particles. It was introduced to the scientific community in 1996 (Mackowski & Mishchenko, 1996, JOSA A, 13, 2266). Later it was put online and became one of the most popular codes to study photopolarimetric properties of aggregated particles. Later versions of this code, especially its parallelized version MSTM3 (Mackowski & Mishchenko, 2011, JQSRT, 112, 2182), were used to compute angular and wavelength dependence of the intensity and polarization of light scattered by aggregates of up to 4000 constituent particles (Kolokolova & Mackowski, 2012, JQSRT, 113, 2567). The version MSTM4 considers large thick slabs of spheres (Mackowski, 2014, Proc. of the Workshop ``Scattering by aggregates``, Bremen, Germany, March 2014, Th. Wriedt & Yu. Eremin, Eds., 6) and is significantly different from the earlier versions. It adopts a Discrete Fourier Convolution, implemented using a Fast Fourier Transform, for evaluation of the exciting field. MSTM4 is able to treat dozens of thousands of spheres and is about 100 times faster than the MSTM3 code. This allows us not only to compute the light scattering properties of a large number of electromagnetically interacting constituent particles, but also to perform multi-wavelength and multi-angular computations using computer resources with rather reasonable CPU and computer memory. We used MSTM4 to model near-infrared spectra of icy satellites of Saturn (Rhea, Dione, and Tethys data from Cassini VIMS), and of icy particles observed in the coma of comet 103P/Hartley 2 (data from EPOXI/DI HRII). Results of our modeling show that in the case of icy satellites the best fit to the observed spectra is provided by regolith made of spheres of radius ~1 micron with a porosity in the range 85% - 95%, which slightly varies for the different satellites. Fitting the spectra of the cometary icy particles requires icy
Cao, M; Monson, P A
2009-10-22
We present a study of the phase behavior for models of n-alkanes with chain lengths up to C(21) based on hard sphere united atom models of methyl and methylene groups, with fixed bond lengths and C-C-C bond angles. We extend earlier work on such models of shorter alkanes by allowing for gauche conformations in the chains. We focus particularly on the orientational order about the chain axes in the solid phase near the melting point, and our model shows how the loss of this orientational order leads to the formation of rotator phases. We have made extensive calculations of the thermodynamic properties of the models as well as order parameters for tracking the degree of orientational order around the chain axis. Depending on the chain length and whether the carbon number is even or odd, the model exhibits both a rotator phase and a more orientationally ordered solid phase in addition to the fluid phase. Our results indicate that the transition between the two solid phases is first-order with a small density change. The results are qualitatively similar to those seen experimentally and show that rotator phases can appear in models of alkanes without explicit treatment of attractive forces or explicit treatment of the hydrogen atoms in the chains.
Yamagata, Atsushi
1994-01-01
We perform the Monte Carlo simulations of the hard-sphere lattice gas on the simple cubic lattice with nearest neighbour exclusion. The critical activity is estimated, $z_{\\rm c} = 1.0588 \\pm 0.0003$. Using a relation between the hard-sphere lattice gas and the antiferromagnetic Ising model in an external magnetic field, we conclude that there is no re-entrant phase transition of the latter on the simple cubic lattice.
Probing the fuzzy sphere regularisation in simulations of the 3d {lambda}{phi}{sup 4} model
Energy Technology Data Exchange (ETDEWEB)
Medina, J. [UPIITA, Instituto Politecnico Nacional IPN, Mexico (Mexico). Ciencias Basicas; Bietenholz, W. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; O' Connor, D. [Dublin Inst. for Advanced Studies (Ireland)
2007-12-15
We regularise the 3d {lambda}{phi}{sup 4} model by discretising the Euclidean time and representing the spatial part on a fuzzy sphere. The latter involves a truncated expansion of the field in spherical harmonics. This yields a numerically tractable formulation, which constitutes an unconventional alternative to the lattice. In contrast to the 2d version, the radius R plays an independent role. We explore the phase diagram in terms of R and the cutoff, as well as the parameters m{sup 2} and {lambda}. Thus we identify the phases of disorder, uniform order and non-uniform order. We compare the result to the phase diagrams of the 3d model on a non-commutative torus, and of the 2d model on a fuzzy sphere. Our data at strong coupling reproduce accurately the behaviour of a matrix chain, which corresponds to the c = 1-model in string theory. This observation enables a conjecture about the thermodynamic limit. (orig.)
Simulation of induced electric field distribution based on five-sphere model used in rTMS.
Pu, Lina; Liu, Zhipeng; Yin, Tao; An, Hao; Li, Song
2010-01-01
Repetitive Transcranial magnetic stimulation (TMS) is a relatively new technique, which is non-invasive and painless used to stimulate the central and peripheral neural tissues. The principle is generating time-varying magnetic fields to stimulate the cerebral cortex neuron and inducing eddy current inside the tissues. Many researches study on the distributing of magnetic field and electric field induced inside the human brain, whereas the static electric field was neglected roughly in many studies. In this paper, a five-sphere model is established to simulate the human head used in rTMS. According to the different dielectric properties of the head tissues, the Laplace equation of static electric field is deduced by both of Gauss theorem and current's continuity principle. Boundary conditions used in different interface between two adjacent layers in the five-sphere model is proposed in this paper. Simulating study is conducted to calculate the distribution of the electric field in the model. Simulating results suggest that the model is useful to get the parameters of the most focus coil. Therefore this study could be potential to promote the development of rTMS stimulator.
Patchy sticky hard spheres: analytical study and Monte Carlo simulations.
Fantoni, Riccardo; Gazzillo, Domenico; Giacometti, Achille; Miller, Mark A; Pastore, Giorgio
2007-12-21
We consider a fluid of hard spheres bearing one or two uniform circular adhesive patches, distributed so as not to overlap. Two spheres interact via a "sticky" Baxter potential if the line joining the centers of the two spheres intersects a patch on each sphere, and via a hard sphere potential otherwise. We analyze the location of the fluid-fluid transition and of the percolation line as a function of the size of the patch (the fractional coverage of the sphere's surface) and of the number of patches within a virial expansion up to third order and within the first two terms (C0 and C1) of a class of closures Cn hinging on a density expansion of the direct correlation function. We find that the locations of the two lines depend sensitively on both the total adhesive coverage and its distribution. The treatment is almost fully analytical within the chosen approximate theory. We test our findings by means of specialized Monte Carlo simulations and find the main qualitative features of the critical behavior to be well captured in spite of the low density perturbative nature of the closure. The introduction of anisotropic attractions into a model suspension of spherical particles is a first step toward a more realistic description of globular proteins in solution.
Xu, Zheng; He, Wei; He, Chuanhong; Zhang, Zhanlong
2008-08-01
The 4-layer sphere model of human head was built; the layers from outside to inside represented the scalp, the skull, the CFS and the brain, respectively. The point current source placed on the outmost layer was regarded as the boundary condition, and the method of separation of variables was used to solve the equations. The potential distribution and the current expression were given, and the isopotential-line map and current lines were drawn. The simulation result can be used to analyze head EIT problems.
Directory of Open Access Journals (Sweden)
Vellis Vyron
2016-03-01
Full Text Available Let Ω be a planar Jordan domain and α > 0. We consider double-dome-like surfaces Σ(Ω, tα over Ω where the height of the surface over any point x ∈ Ωequals dist(x, ∂Ωα. We identify the necessary and sufficient conditions in terms of and α so that these surfaces are quasisymmetric to S2 and we show that Σ(Ω, tα is quasisymmetric to the unit sphere S2 if and only if it is linearly locally connected and Ahlfors 2-regular.
Relativistic Dynamics of a Charged Sphere: Updating the Lorentz-Abraham Model
1992-02-01
electrornagritic forces of tI.’cs chI arge. Flor a stationiary charged sphere, as lhimnicar exp~ lainied . t he b~ inding forces exert el 1, ’ t he...lie position. velocity, an(i acceleration of each element of charge at the retarded time (t’ = I -- I?’(I’)/c) in a Taylor series about the present...8217,t 2 + (S.241a) where the distance /?’(t’) has tle Taylor ,cries expansion l/’(t) = l (t)- (I)R - 6(r’, I) + .. 8 2 b 2c 2 These llaylur series
Stankiewicz, Witold; Morzyński, Marek; Kotecki, Krzysztof; Noack, Bernd R.
2017-04-01
We present a low-dimensional Galerkin model with state-dependent modes capturing linear and nonlinear dynamics. Departure point is a direct numerical simulation of the three-dimensional incompressible flow around a sphere at Reynolds numbers 400. This solution starts near the unstable steady Navier-Stokes solution and converges to a periodic limit cycle. The investigated Galerkin models are based on the dynamic mode decomposition (DMD) and derive the dynamical system from first principles, the Navier-Stokes equations. A DMD model with training data from the initial linear transient fails to predict the limit cycle. Conversely, a model from limit-cycle data underpredicts the initial growth rate roughly by a factor 5. Key enablers for uniform accuracy throughout the transient are a continuous mode interpolation between both oscillatory fluctuations and the addition of a shift mode. This interpolated model is shown to capture both the transient growth of the oscillation and the limit cycle.
Numerical Modeling of LLNL's Au-Sphere experiments on the OMEGA Laser
Ma, K. H.; Raicher, E.; Frank, Y.; Fraenkel, M.; Johnsen, E.; Drake, R. P.; Shvarts, D.
2016-10-01
Experiments performed by LLNL on OMEGA studying X-ray conversion efficiencies for high-Z materials, aimed to confirm hohlraum modeling, resulted in a''liberal'' flux limiter value of 0.15 to match simulations with these measurements. This conclusion was re-examined and another model accounting for the effect of Ion Acoustic Turbulence on the thermal electron flux limitation was proposed. Our work continues to explore relevant physical parameters in modeling these experiments using the HYADES and FLORENCE codes. The sensitivity of laser absorption, X-ray emission and corona electron temperature to the electron flux limiter, inverse bremsstrahlung coefficient, resonant absorption in the critical layer, LTE and NLTE atomic physics and a numerical convergence study due to steep density and electron temperature profiles at the critical layer will be discussed. Additionally, alternative experimental designs, such as an ``onion'' configuration of plastic and gold as well as different laser illumination patterns, were studied. Supported by the LLNL under subcontract B614207 to DE-AC52-07NA27344.
Performance model to predict overall defect density
Directory of Open Access Journals (Sweden)
J Venkatesh
2012-08-01
Full Text Available Management by metrics is the expectation from the IT service providers to stay as a differentiator. Given a project, the associated parameters and dynamics, the behaviour and outcome need to be predicted. There is lot of focus on the end state and in minimizing defect leakage as much as possible. In most of the cases, the actions taken are re-active. It is too late in the life cycle. Root cause analysis and corrective actions can be implemented only to the benefit of the next project. The focus has to shift left, towards the execution phase than waiting for lessons to be learnt post the implementation. How do we pro-actively predict defect metrics and have a preventive action plan in place. This paper illustrates the process performance model to predict overall defect density based on data from projects in an organization.
A new density model of Cryptomeria fortunei plantation
Institute of Scientific and Technical Information of China (English)
Jiang Xidian; Huang Langzeng; Chen Baohui
2006-01-01
According to the volume increase model of an average individual tree in a plant population and the theory of invariable final output,we put forward a new density model of plant population: V-β=ANβ+B.Here N means the stand density and V stands for average individual tree volume;A,B and β are parameters that change with growth stage.Using the density variation of standard plots of Cryptromeriafortunei plantation to verify the new model,it turns out that this model can well simulate the population density effect law of C.fortunei plantation,and it is markedly better and shows higher accuracy than the commonly used reciprocal model of density effect and secondary-effect model.Let β=1,we can obtain the reciprocal model of density effect,which means the reciprocal model of density effect is only a special case of this new model.
A computational investigation on random packings of sphere-spherocylinder mixtures
Institute of Scientific and Technical Information of China (English)
无
2010-01-01
Random packings of binary mixtures of spheres and spherocylinders with the same volume and the same diameter were simulated by a sphere assembly model and relaxation algorithm. Simulation results show that, independently of the component volume fraction, the mixture packing density increases and then decreases with the growth of the aspect ratio of spherocylinders, and the packing density reaches its maximum at the aspect ratio of 0.35. With the same volume particles, results show that the dependence of the mixture packing density on the volume fraction of spherocylinders is approximately linear. With the same diameter particles, the relationship between the mixture packing density and component volume fraction is also roughly linear for short spherocylinders, but when the aspect ratio of spherocylinders is greater than 1.6, the curves turn convex which means the packing of the mixture can be denser than either the sphere or spherocylinder packing alone. To validate the sphere assembly model and relaxation algorithm, binary mixtures of spheres and random packings of spherocylinders were also simulated. Simulation results show the packing densities of sphere mixtures agree with previous prediction models and the results of spherocylinders correspond with the simulation results in literature.
Structure of colloidal sphere-plate mixtures
Doshi, N.; Cinacchi, G.; van Duijneveldt, J. S.; Cosgrove, T.; Prescott, S. W.; Grillo, I.; Phipps, J.; Gittins, D. I.
2011-05-01
In addition to containing spherical pigment particles, coatings usually contain plate-like clay particles. It is thought that these improve the opacity of the paint film by providing an efficient spacing of the pigment particles. This observation is counterintuitive, as suspensions of particles of different shapes and sizes tend to phase separate on increase of concentration. In order to clarify this matter a model colloidal system is studied here, with a sphere-plate diameter ratio similar to that found in paints. For dilute suspensions, small angle neutron scattering revealed that the addition of plates leads to enhanced density fluctuations of the spheres, in agreement with new theoretical predictions. On increasing the total colloid concentration the plates and spheres phase separate due to the disparity in their shape. This is in agreement with previous theoretical and experimental work on colloidal sphere-plate mixtures, where one particle acts as a depleting agent. The fact that no large scale phase separation is observed in coatings is ascribed to dynamic arrest in intimately mixed, or possibly micro-phase separated structures, at elevated concentration.
Structure of colloidal sphere-plate mixtures
Energy Technology Data Exchange (ETDEWEB)
Doshi, N; Cinacchi, G; Van Duijneveldt, J S; Cosgrove, T; Prescott, S W [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Grillo, I [Institut Laue-Langevin, 6 rue Jules Horowitz BP 156, 38042 Grenoble Cedex 9 (France); Phipps, J [Imerys Minerals Ltd, Par Moor Centre, Par Moor Road, Par, Cornwall PL24 2SQ (United Kingdom); Gittins, D I, E-mail: Giorgio.Cinacchi@bristol.ac.uk, E-mail: J.S.van-Duijneveldt@bristol.ac.uk [Imerys Performance and Filtration Minerals Ltd, 130 Castilian Drive, Goleta, CA 93117 (United States)
2011-05-18
In addition to containing spherical pigment particles, coatings usually contain plate-like clay particles. It is thought that these improve the opacity of the paint film by providing an efficient spacing of the pigment particles. This observation is counterintuitive, as suspensions of particles of different shapes and sizes tend to phase separate on increase of concentration. In order to clarify this matter a model colloidal system is studied here, with a sphere-plate diameter ratio similar to that found in paints. For dilute suspensions, small angle neutron scattering revealed that the addition of plates leads to enhanced density fluctuations of the spheres, in agreement with new theoretical predictions. On increasing the total colloid concentration the plates and spheres phase separate due to the disparity in their shape. This is in agreement with previous theoretical and experimental work on colloidal sphere-plate mixtures, where one particle acts as a depleting agent. The fact that no large scale phase separation is observed in coatings is ascribed to dynamic arrest in intimately mixed, or possibly micro-phase separated structures, at elevated concentration.
Development of Soft-Sphere Contact Models for Thermal Heat Conduction in Granular Flows
Energy Technology Data Exchange (ETDEWEB)
Morris, A. B.; Pannala, S.; Ma, Zhiwen; Hrenya, C. M.
2016-12-01
Conductive heat transfer to flowing particles occurs when two particles (or a particle and wall) come into contact. The direct conduction between the two bodies depends on the collision dynamics, namely the size of the contact area and the duration of contact. For soft-sphere discrete-particle simulations, it is computationally expensive to resolve the true collision time because doing so would require a restrictively small numerical time step. To improve the computational speed, it is common to increase the 'softness' of the material to artificially increase the collision time, but doing so affects the heat transfer. In this work, two physically-based correction terms are derived to compensate for the increased contact area and time stemming from artificial particle softening. By including both correction terms, the impact that artificial softening has on the conductive heat transfer is removed, thus enabling simulations at greatly reduced computational times without sacrificing physical accuracy.
Transport properties of the rough hard sphere fluid.
Kravchenko, Olga; Thachuk, Mark
2012-01-28
Results are presented of a systematic study of the transport properties of the rough hard sphere fluid. The rough hard sphere fluid is a simple model consisting of spherical particles that exchange linear and angular momenta, and energy upon collision. This allows a study of the sole effect of particle rotation upon fluid properties. Molecular dynamics simulations have been used to conduct extensive benchmark calculations of self-diffusion, shear and bulk viscosity, and thermal conductivity coefficients. As well, the validity of several kinetic theory equations have been examined at various levels of approximation as a function of density and translational-rotational coupling. In particular, expressions from Enskog theory using different numbers of basis sets in the representation of the distribution function were tested. Generally Enskog theory performs well at low density but deviates at larger densities, as expected. The dependence of these expressions upon translational-rotational coupling was also examined. Interestingly, even at low densities, the agreement with simulation results was sometimes not even qualitatively correct. Compared with smooth hard sphere behaviour, the transport coefficients can change significantly due to translational-rotational coupling and this effect becomes stronger the greater the coupling. Overall, the rough hard sphere fluid provides an excellent model for understanding the effects of translational-rotational coupling upon transport coefficients.
Zhou, Shiqi; Solana, J R
2013-08-08
The first three coefficients of the high temperature series expansion (HTSE) of the Helmholtz free energy for a number of simple potential models with hard-sphere cores plus continuous tails are obtained for the first time from Monte Carlo simulations. The potential models considered include Square-well, Sutherland, attractive Yukawa, and triangle-well with different potential ranges, as well as a model potential qualitatively resembling the depletion potential in colloidal dispersions. The simulation data are used to evaluate performance of a recent coupling parameter series expansion (CPSE) in calculating for these coefficients, and a traditional macroscopic compressibility approximation (MCA) for the second-order coefficient only. A comprehensive comparison based on these coefficients from the two theoretical approaches and simulations enables one to conclude that (i) unlike one common experience that the widely used MCA usually underestimates the second-order coefficient, the MCA can both overestimate and underestimate the second-order coefficient, and worsens as the range of the potential decreases; and (ii) in contrast, the CPSE not only reproduce the trends in the density dependence of the perturbation coefficients, even the third one, observed in the simulations, but also the agreement is quantitative in most cases, and this clearly highlights the potential of the CPSE in providing accurate estimations for the higher-order coefficients, thus giving rise to an accurate higher-order HTSE.
Gaume, Johan; Löwe, Henning
2016-04-01
Microstructural properties are essential to characterize the mechanics of loose and cohesive granular materials such as snow. In particular, mechanical properties and physical processes of porous media are often related to the volume fraction ν. Low-density microstructures typically allow for considerable structural diversity at a given volume fraction, leading to uncertainties in modeling approaches using ν-based parametrizations only. We have conducted discrete element simulations of cohesive granular materials with initial configurations which are drawn from Baxter's sticky hard sphere (SHS) model. This method allows to control independently the initial volume fraction ν and the average coordination number Z. We show that variations in elasticity and strength of the samples can be fully explained by the initial contact density C = νZ over a wide range of volume fractions and coordination numbers. Hence, accounting for the contact density C allows to resolve the discrepancies in particle based modeling between samples with similar volume fractions but different microstructures. As an application, we applied our method to the microstructure of real snow samples which have been imaged by micro-computed tomography and reconstructed using the SHS model. Our new approach opens a promising route to evaluate snow physical and mechanical properties from field measurements, for instance using the Snow Micro Penetrometer (SMP), by linking the penetration resistance to the contact density.
A high-order spatial filter for a cubed-sphere spectral element model
Kang, Hyun-Gyu; Cheong, Hyeong-Bin
2017-04-01
A high-order spatial filter is developed for the spectral-element-method dynamical core on the cubed-sphere grid which employs the Gauss-Lobatto Lagrange interpolating polynomials (GLLIP) as orthogonal basis functions. The filter equation is the high-order Helmholtz equation which corresponds to the implicit time-differencing of a diffusion equation employing the high-order Laplacian. The Laplacian operator is discretized within a cell which is a building block of the cubed sphere grid and consists of the Gauss-Lobatto grid. When discretizing a high-order Laplacian, due to the requirement of C0 continuity along the cell boundaries the grid-points in neighboring cells should be used for the target cell: The number of neighboring cells is nearly quadratically proportional to the filter order. Discrete Helmholtz equation yields a huge-sized and highly sparse matrix equation whose size is N*N with N the number of total grid points on the globe. The number of nonzero entries is also almost in quadratic proportion to the filter order. Filtering is accomplished by solving the huge-matrix equation. While requiring a significant computing time, the solution of global matrix provides the filtered field free of discontinuity along the cell boundaries. To achieve the computational efficiency and the accuracy at the same time, the solution of the matrix equation was obtained by only accounting for the finite number of adjacent cells. This is called as a local-domain filter. It was shown that to remove the numerical noise near the grid-scale, inclusion of 5*5 cells for the local-domain filter was found sufficient, giving the same accuracy as that obtained by global domain solution while reducing the computing time to a considerably lower level. The high-order filter was evaluated using the standard test cases including the baroclinic instability of the zonal flow. Results indicated that the filter performs better on the removal of grid-scale numerical noises than the explicit
Propulsion Physics Under the Changing Density Field Model
Robertson, Glen A.
2011-01-01
To grow as a space faring race, future spaceflight systems will requires new propulsion physics. Specifically a propulsion physics model that does not require mass ejection without limiting the high thrust necessary to accelerate within or beyond our solar system and return within a normal work period or lifetime. In 2004 Khoury and Weltman produced a density dependent cosmology theory they called Chameleon Cosmology, as at its nature, it is hidden within known physics. This theory represents a scalar field within and about an object, even in the vacuum. Whereby, these scalar fields can be viewed as vacuum energy fields with definable densities that permeate all matter; having implications to dark matter/energy with universe acceleration properties; implying a new force mechanism for propulsion physics. Using Chameleon Cosmology, the author has developed a new propulsion physics model, called the Changing Density Field (CDF) Model. This model relates to density changes in these density fields, where the density field density changes are related to the acceleration of matter within an object. These density changes in turn change how an object couples to the surrounding density fields. Whereby, thrust is achieved by causing a differential in the coupling to these density fields about an object. Since the model indicates that the density of the density field in an object can be changed by internal mass acceleration, even without exhausting mass, the CDF model implies a new propellant-less propulsion physics model
Wu, Shuxing; Hui, Kwan San; Hui, Kwun Nam; Kim, Kwang Ho
2017-01-18
Achieving high energy density while retaining high power density is difficult in electrical double-layer capacitors and in pseudocapacitors considering the origin of different charge storage mechanisms. Rational structural design became an appealing strategy in circumventing these trade-offs between energy and power densities. A hybrid structure consists of chemically converted graphene-encapsulated carbon@nickel-aluminum layered double hydroxide core-shell spheres as spacers among graphene layers (G-CLS) used as an advanced electrode to achieve high energy density while retaining high power density for high-performance supercapacitors. The merits of the proposed architecture are as follows: (1) CLS act as spacers to avoid the close restacking of graphene; (2) highly conductive carbon sphere and graphene preserve the mechanical integrity and improve the electrical conductivity of LDHs hybrid. Thus, the proposed hybrid structure can simultaneously achieve high electrical double-layer capacitance and pseudocapacitance resulting in the overall highly active electrode. The G-CLS electrode exhibited high specific capacitance (1710.5 F g(-1) at 1 A g(-1)) under three-electrode tests. An ASC fabricated using the G-CLS as positive electrode and reduced graphite oxide as negative electrode demonstrated remarkable electrochemical performance. The ASC device operated at 1.4 V and delivered a high energy density of 35.5 Wh kg(-1) at a 670.7 W kg(-1) power density at 1 A g(-1) with an excellent rate capability as well as a robust long-term cycling stability of up to 10 000 cycles.
Smulevich, A B; Dorozhenok, I Iu; Romanov, D V; L'vov, A N
2012-01-01
Hypochondria sine materia is a disorder with physical complains corresponding to no any somatic diagnosis. Hypochondria sine materia is a more complicated psychopathological condition compared to hypochondria cum materia. Hypochondria sine materia could be diagnosed not only in psychiatry, but mainly in general medicine. It is especially prevalent in dermatology. As a result of analysis of hypochondriac disorders involving cutaneous sphere in patients without dermatological diseases, a binary model of psychodermatological syndromes presenting with hypochondria sine materia in dermatology was developed. The binary structure of the psychodermatological syndromes includes secondary psychiatric symptoms based on primary coenesthesiopathic phenomena. The heterogeneous psychodermatological syndromes (cutaneous organ neurosis, impulsive excoriations syndrome, circumscripta hypochondria, coenesthesiopathic paranoia) could be arranged in a continuum of consecutively worsening conditions from neurotic to psychotic severity register. The syndromes differ in clinical and social prognosis requiring different approach to diagnosis and treatment.
Gazzillo, Domenico; Giacometti, Achille
2004-03-08
We discuss structural and thermodynamical properties of Baxter's adhesive hard sphere model within a class of closures which includes the Percus-Yevick (PY) one. The common feature of all these closures is to have a direct correlation function vanishing beyond a certain range, each closure being identified by a different approximation within the original square-well region. This allows a common analytical solution of the Ornstein-Zernike integral equation, with the cavity function playing a privileged role. A careful analytical treatment of the equation of state is reported. Numerical comparison with Monte Carlo simulations shows that the PY approximation lies between simpler closures, which may yield less accurate predictions but are easily extensible to multicomponent fluids, and more sophisticate closures which give more precise predictions but can hardly be extended to mixtures. In regimes typical for colloidal and protein solutions, however, it is found that the perturbative closures, even when limited to first order, produce satisfactory results.
Lu, Dunyue; Li, Ya; Mahmood, Asim; Wang, Lei; Rafiq, Tahir; Chopp, Michael
2002-10-01
This study was designed to investigate the effect of treatment with a novel composite material consisting of embryonic neurospheres and bone marrow-derived stromal cell spheres (NMSCSs) in a rat model of traumatic brain injury (TBI). The NMSCS composite was injected into the TBI contusion site 24 hours after injury, and all rats were killed on Day 14 after the transplantation. The Rotarod test and the neurological severity score were used to evaluate neurological function. The transplanted NMSCS was analyzed in recipient rat brains by using histological staining and laser scanning confocal microscopy. The lesion volumes in the brains were also calculated using computer image analysis. Rats that received NMSCS transplants had reduced lesion volume and showed improved motor and neurological function when compared with control groups 14 days after the treatment. These results suggest that transplantation of this novel biological material (NMSCS) may be useful in the treatment of TBI.
Engwirda, Darren
2017-01-01
An algorithm for the generation of non-uniform, locally orthogonal staggered unstructured spheroidal grids is described. This technique is designed to generate very high-quality staggered VoronoiDelaunay meshes appropriate for general circulation modelling on the sphere, including applications to atmospheric simulation, ocean-modelling and numerical weather prediction. Using a recently developed Frontal-Delaunay refinement technique, a method for the construction of high-quality unstructured spheroidal Delaunay triangulations is introduced. A locally orthogonal polygonal grid, derived from the associated Voronoi diagram, is computed as the staggered dual. It is shown that use of the Frontal-Delaunay refinement technique allows for the generation of very high-quality unstructured triangulations, satisfying a priori bounds on element size and shape. Grid quality is further improved through the application of hill-climbing-type optimisation techniques. Overall, the algorithm is shown to produce grids with very high element quality and smooth grading characteristics, while imposing relatively low computational expense. A selection of uniform and non-uniform spheroidal grids appropriate for high-resolution, multi-scale general circulation modelling are presented. These grids are shown to satisfy the geometric constraints associated with contemporary unstructured C-grid-type finite-volume models, including the Model for Prediction Across Scales (MPAS-O). The use of user-defined mesh-spacing functions to generate smoothly graded, non-uniform grids for multi-resolution-type studies is discussed in detail.
Lezaja, Maja; Veljovic, Djordje N; Jokic, Bojan M; Cvijovic-Alagic, Ivana; Zrilic, Milorad M; Miletic, Vesna
2013-11-01
This study investigated the effect of shape, size, and surface modification of hydroxyapatite (HAP) fillers on the degree of conversion (DC) and mechanical properties of a model BisGMA/TEGDMA composite initially and after 4 weeks of storage. Ten percent of conventional glass fillers were replaced by HAP spheres (Sph), silicon-doped spheres (SphSi), whiskers (Wh), silicon-doped whiskers (WhSi), and nanosized HAP particles (Nano). Spheres were specifically structured agglomerates consisting of a central void and radially orientated primary particles, whereas whiskers were compact monocrystals. DC, Vickers hardness (HV), flexural strength (Fs), flexural modulus (Ef), compressive strength (Cs), and compressive modulus (Ec) were tested. There were no significant differences in the DC between all tested groups. HV decreased by 5.4-17% with the addition of HAP, while Fs increased by 13.9-29% except in Nano group (decrease by 13%). After storage, Sph and SphSi groups showed similar HV, Ef, Cs and Ec and higher Fs than the control. The fracture mode of HAP spheres was through the central void whereas whiskers showed longitudinal delamination, transverse, and mixed fractures. HAP spheres with or without silicon- doping have a potential to be part of the filler content of dental composites.
North, Matthew; Petropoulos, George
2014-05-01
Soil Vegetation Atmosphere Transfer (SVAT) models are becoming the preferred scientific tool to assess land surface energy fluxes due to their computational efficiency, accuracy and ability to provide results at fine temporal scales. An all-inclusive validation of those models is a fundamental step before those can be confidently used for any practical application or research purpose alike. SimSphere is an example of a SVAT model, simulating a large array of parameters characterising various land surface interactions over a 24 hour cycle at a 1-D vertical profile. Being able to appreciate the uncertainty of SimSphere predictions, is of vital importance towards increasing confidence in the models' overall use and ability to represent accurate land surface interactions. This is particularly important, given that its use either as a stand-alone tool or synergistically with Earth Observation (EO) data is currently expanding worldwide. In the present study, uncertainty in the SimSphere's predictions is evaluated at seven European sites, representative of a range of ecosystem conditions and biomes types for which in-situ data from the CarboEurope IP operational network acquired during 2011 were available. Selected sites are characterised by varying topographical characteristics, which further allow developing a comprehensive understanding on how topography can affect the models' ability to reproduce the variables which are evaluated. Model simulations are compared to in-situ data collected on cloud free days and on days with high Energy Balance Ratio. We focused here specifically on evaluating SimSphere capability in predicting selected variables of the energy balance, namely the Latent Heat (LE), Sensible heat (H) and Net Radiation (Rn) fluxes. An evaluation of the uncertainty in the model predictions was evaluated on the basis of extensive statistical analysis that was carried out by computing a series of relevant statistical measures. Results obtained confirmed the
Black Hole Formation in Fuzzy Sphere Collapse
Iizuka, Norihiro; Roy, Shubho; Sarkar, Debajyoti
2013-01-01
We study the collapse of a fuzzy sphere, that is a spherical membrane built out of D0-branes, in the BFSS model. At weak coupling, as the sphere shrinks, open strings are produced. If the initial radius is large then open string production is not important and the sphere behaves classically. At intermediate initial radius the back-reaction from open string production is important but the fuzzy sphere retains its identity. At small initial radius the sphere collapses to form a black hole. The crossover between the later two regimes is smooth and occurs at the correspondence point of Horowitz and Polchinski.
Largo, Julio; Wilding, Nigel B
2006-03-01
We report a Monte Carlo simulation study of the properties of highly asymmetric binary hard-sphere mixtures. This system is treated within an effective fluid approximation in which the large particles interact through a depletion potential [R. Roth, Phys. Rev. E 62 5360 (2000)] designed to capture the effects of a virtual sea of small particles. We generalize this depletion potential to include the effects of explicit size dispersity in the large particles and consider the case in which the particle diameters are distributed according to a Schulz form having a degree of polydispersity 14%. The resulting alteration (with respect to the monodisperse limit) of the metastable fluid-fluid critical point parameters is determined for two values of the ratio of the diameters of the small and large particles: q(triple bond)sigma(s)/(-)sigma(b)=0.1 and q=0.05. We find that the inclusion of polydispersity moves the critical point to lower reservoir volume fractions of the small particles and high volume fractions of the large ones. The estimated critical point parameters are found to be in good agreement with those predicted by a generalized corresponding states argument which provides a link to the known critical adhesion parameter of the adhesive hard-sphere model. Finite-size scaling estimates of the cluster percolation line in the one phase fluid region indicate that inclusion of polydispersity moves the critical point deeper into the percolating regime. This suggests that phase separation is more likely to be preempted by dynamical arrest in polydisperse systems.
Modelling of density limit phenomena in toroidal helical plasmas
Energy Technology Data Exchange (ETDEWEB)
Itoh, K. [National Inst. for Fusion Science, Toki, Gifu (Japan); Itoh, S.-I. [Kyushu Univ., Fukuoka (Japan). Research Inst. for Applied Mechanics; Giannone, L. [Max Planck Institut fuer Plasmaphysik, EURATOM-IPP Association, Garching (Germany)
2000-03-01
The physics of density limit phenomena in toroidal helical plasmas based on an analytic point model of toroidal plasmas is discussed. The combined mechanism of the transport and radiation loss of energy is analyzed, and the achievable density is derived. A scaling law of the density limit is discussed. The dependence of the critical density on the heating power, magnetic field, plasma size and safety factor in the case of L-mode energy confinement is explained. The dynamic evolution of the plasma energy and radiation loss is discussed. Assuming a simple model of density evolution, of a sudden loss of density if the temperature becomes lower than critical value, then a limit cycle oscillation is shown to occur. A condition that divides the limit cycle oscillation and the complete radiation collapse is discussed. This model seems to explain the density limit oscillation that has been observed on the W7-AS stellarator. (author)
Modelling of density limit phenomena in toroidal helical plasmas
Energy Technology Data Exchange (ETDEWEB)
Itoh, Kimitaka [National Inst. for Fusion Science, Toki, Gifu (Japan); Itoh, Sanae-I. [Kyushu Univ., Fukuoka (Japan). Research Inst. for Applied Mechanics; Giannone, Louis [EURATOM-IPP Association, Max Planck Institut fuer Plasmaphysik, Garching (Germany)
2001-11-01
The physics of density limit phenomena in toroidal helical plasmas based on an analytic point model of toroidal plasmas is discussed. The combined mechanism of the transport and radiation loss of energy is analyzed, and the achievable density is derived. A scaling law of the density limit is discussed. The dependence of the critical density on the heating power, magnetic field, plasma size and safety factor in the case of L-mode energy confinement is explained. The dynamic evolution of the plasma energy and radiation loss is discussed. Assuming a simple model of density evolution, of a sudden loss of density if the temperature becomes lower than critical value, then a limit cycle oscillation is shown to occur. A condition that divides the limit cycle oscillation and the complete radiation collapse is discussed. This model seems to explain the density limit oscillation that has been observed on the Wendelstein 7-AS (W7-AS) stellarator. (author)
Plasmonic lateral forces on chiral spheres
Canaguier-Durand, Antoine
2015-01-01
We show that the optical force exerted on a finite size chiral sphere by a surface plasmon mode has a component along a direction perpendicular to the plasmon linear momentum. We reveal how this chiral lateral force, pointing in opposite directions for opposite enantiomers, stems from an angular-to-linear crossed momentum transfer involving the plasmon transverse spin angular momentum density and mediated by the chirality of the sphere. Our multipolar approach allows us discussing the inclusion of the recoil term in the force on a small sphere taken in the dipolar limit and observing sign inversions of the lateral chiral force when the size of the sphere increases.
Directory of Open Access Journals (Sweden)
Samaras Stefanos
2016-01-01
Full Text Available In this work we propose a two-step advancement of the Mie spherical-particle model accounting for particle non-sphericity. First, a naturally two-dimensional (2D generalized model (GM is made, which further triggers analogous 2D re-definitions of microphysical parameters. We consider a spheroidal-particle approach where the size distribution is additionally dependent on aspect ratio. Second, we incorporate the notion of a sphere-spheroid particle mixture (PM weighted by a non-sphericity percentage. The efficiency of these two models is investigated running synthetic data retrievals with two different regularization methods to account for the inherent instability of the inversion procedure. Our preliminary studies show that a retrieval with the PM model improves the fitting errors and the microphysical parameter retrieval and it has at least the same efficiency as the GM. While the general trend of the initial size distributions is captured in our numerical experiments, the reconstructions are subject to artifacts. Finally, our approach is applied to a measurement case yielding acceptable results.
2008-06-01
framework for fumture discussion and interpretation. In chapter 4 we discuss the baroclinic structure of the zonal velocity. The main paradigm here...Int/.91; upper right: vertical velocity I.s j; o per f.inidve anomnaly IjKgm--;l; lower mIidd(le: converted entrop )y (see Appendix A) anoutalY I fI...mIsl; uipper right: vertical velocity I/I lower left: density anomnaly jKg m-j; lower midldle: converted entrop )y anomaly IJxi; lower right: pressure I
Directory of Open Access Journals (Sweden)
George P. Petropoulos
2015-05-01
Full Text Available In today’s changing climate, the development of robust, accurate and globally applicable models is imperative for a wider understanding of Earth’s terrestrial biosphere. Moreover, an understanding of the representation, sensitivity and coherence of such models are vital for the operationalisation of any physically based model. A Global Sensitivity Analysis (GSA was conducted on the SimSphere land biosphere model in which a meta-modelling method adopting Bayesian theory was implemented. Initially, effects of assuming uniform probability distribution functions (PDFs for the model inputs, when examining sensitivity of key quantities simulated by SimSphere at different output times, were examined. The development of topographic model input parameters (e.g., slope, aspect, and elevation were derived within a Geographic Information System (GIS before implementation within the model. The effect of time of the simulation on the sensitivity of previously examined outputs was also analysed. Results showed that simulated outputs were significantly influenced by changes in topographic input parameters, fractional vegetation cover, vegetation height and surface moisture availability in agreement with previous studies. Time of model output simulation had a significant influence on the absolute values of the output variance decomposition, but it did not seem to change the relative importance of each input parameter. Sensitivity Analysis (SA results of the newly modelled outputs allowed identification of the most responsive model inputs and interactions. Our study presents an important step forward in SimSphere verification given the increasing interest in its use both as an independent modelling and educational tool. Furthermore, this study is very timely given on-going efforts towards the development of operational products based on the synergy of SimSphere with Earth Observation (EO data. In this context, results also provide additional support for the
Schallhorn, Paul; Roth, Jacob; Marsell, Brandon; Kirk, Daniel; Gutierrez, Hector; Saenz-Otero, Alvar; Dorney, Daniel; Moder, Jeffrey
2013-01-01
Accurate prediction of coupled fluid slosh and launch vehicle or spacecraft dynamics (e.g., nutation/precessional movement about various axes, attitude changes, ect.) requires Computational Fluid Dynamics (CFD) models calibrated with low-gravity, long duration slosh data. Recently completed investigations of reduced gravity slosh behavior have demonstrated the limitations of utilizing parabolic flights on specialized aircraft with respect to the specific objectives of the experiments. Although valuable data was collected, the benefits of longer duration low-gravity environments were clearly established. The proposed research provides the first data set from long duration tests in zero gravity that can be directly used to benchmark CFD models, including the interaction between the sloshing fluid and the tank/vehicle dynamics. To explore the coupling of liquid slosh with the motion of an unconstrained tank in microgravity, NASA's Kennedy Space Center, Launch Services Program has teamed up with the Florida Institute of Technology (FIT), Massachusetts Institute of Technology (MIT) and the NASA Game Changing Development Program (GCD) to perform a series of slosh dynamics experiments on the International Space Station using the SPHERES platform. The Synchronized Position Hold Engage Reorient Experimental Satellites (SPHERES) testbed provides a unique, free-floating instrumented platform on ISS that can be utilized in a manner that would solve many of the limitations of the current knowledge related to propellant slosh dynamics on launch vehicle and spacecraft fuel tanks. The six degree of freedom (6-DOF) motion of the SPHERES free-flyer is controlled by an array of cold-flow C02 thrusters, supplied from a built-in liquid C02 tank. These SPHERES can independently navigate and re-orient themselves within the ISS. The intent of this project is to design an externally mounted tank to be driven inside the ISS by a set of two SPHERES devices (Figure 1). The tank geometry
Kravchenko, Olga; Thachuk, Mark
2011-03-21
A study is presented of tracer diffusion in a rough hard sphere fluid. Unlike smooth hard spheres, collisions between rough hard spheres can exchange rotational and translational energy and momentum. It is expected that as tracer particles become larger, their diffusion constants will tend toward the Stokes-Einstein hydrodynamic result. It has already been shown that in this limit, smooth hard spheres adopt "slip" boundary conditions. The current results show that rough hard spheres adopt boundary conditions proportional to the degree of translational-rotational energy exchange. Spheres for which this exchange is the largest adopt "stick" boundary conditions while those with more intermediate exchange adopt values between the "slip" and "stick" limits. This dependence is found to be almost linear. As well, changes in the diffusion constants as a function of this exchange are examined and it is found that the dependence is stronger than that suggested by the low-density, Boltzmann result. Compared with smooth hard spheres, real molecules undergo inelastic collisions and have attractive wells. Rough hard spheres model the effect of inelasticity and show that even without the presence of attractive forces, the boundary conditions for large particles can deviate from "slip" and approach "stick."
Periodic and Aperiodic Close Packing: A Spontaneous Hard-Sphere Model.
van de Waal, B. W.
1985-01-01
Shows how to make close-packed models from balloons and table tennis balls to illustrate structural features of clusters and organometallic cluster-compounds (which are of great interest in the study of chemical reactions). These models provide a very inexpensive and tactile illustration of the organization of matter for concrete operational…
Conformal symmetry of the critical 3D Ising model inside a sphere
Cosme, Catarina; Penedones, Joao
2015-01-01
We perform Monte-Carlo simulations of the three-dimensional Ising model at the critical temperature and zero magnetic field. We simulate the system in a ball with free boundary conditions on the two dimensional spherical boundary. Our results for one and two point functions in this geometry are consistent with the predictions from the conjectured conformal symmetry of the critical Ising model.
Effective Depletion Potential of Colloidal Spheres
Institute of Scientific and Technical Information of China (English)
LI Wei-Hua; MA Hong-Ru
2004-01-01
@@ A new semianalytical method, which is a combination of the density functional theory with Rosenfeld density functional and the Ornstein-Zernike equation, is proposed for the calculation of the effective depletion potentials between a pair of big spheres immersed in a small hard sphere fluid. The calculated results are almost identical to the integral equation method with the Percus-Yevick approximation, and are also in agreement well with the Monte Carlo simulation results.
Directory of Open Access Journals (Sweden)
Thomas Cornelissen
2016-05-01
Full Text Available Parameterization of physically based and distributed hydrological models for mesoscale catchments remains challenging because the commonly available data base is insufficient for calibration. In this paper, we parameterize a mesoscale catchment for the distributed model HydroGeoSphere by transferring evapotranspiration parameters calibrated at a highly-equipped headwater catchment in addition to literature data. Based on this parameterization, the sensitivity of the mesoscale catchment to spatial variability in land use, potential evapotranspiration and precipitation and of the headwater catchment to mesoscale soil and land use data was conducted. Simulations of the mesoscale catchment with transferred parameters reproduced daily discharge dynamics and monthly evapotranspiration of grassland, deciduous and coniferous vegetation in a satisfactory manner. Precipitation was the most sensitive input data with respect to total runoff and peak flow rates, while simulated evapotranspiration components and patterns were most sensitive to spatially distributed land use parameterization. At the headwater catchment, coarse soil data resulted in a change in runoff generating processes based on the interplay between higher wetness prior to a rainfall event, enhanced groundwater level rise and accordingly, lower transpiration rates. Our results indicate that the direct transfer of parameters is a promising method to benefit highly equipped simulations of the headwater catchments.
Application of Gaseous Sphere Injection Method for Modeling Under-expanded H2 Injection
Energy Technology Data Exchange (ETDEWEB)
Whitesides, R; Hessel, R P; Flowers, D L; Aceves, S M
2010-12-03
A methodology for modeling gaseous injection has been refined and applied to recent experimental data from the literature. This approach uses a discrete phase analogy to handle gaseous injection, allowing for addition of gaseous injection to a CFD grid without needing to resolve the injector nozzle. This paper focuses on model testing to provide the basis for simulation of hydrogen direct injected internal combustion engines. The model has been updated to be more applicable to full engine simulations, and shows good agreement with experiments for jet penetration and time-dependent axial mass fraction, while available radial mass fraction data is less well predicted.
National Research Council Canada - National Science Library
O’Loughlin, C.D; Morton, J.P; White, D.J
.... This allowed the penetration resistance acting on the sphere to be expressed in terms of a single capacity factor that captures soil resistance from both shearing and drag, and varies uniquely...
Depletion induced demixing in polydisperse mixtures of hard spheres
Sear, RP
1998-01-01
Polydisperse mixtures are those in which components with a whole range of sizes are present. It is shown that the fluid phase of polydisperse hard spheres is thermodynamically unstable unless the density of large spheres decreases at least exponentially as their size increases. The instability is with respect to the large spheres crystallising out into multiple solid phases.
A Creep Model for High Density Snow
2017-04-01
Director of ERDC-CRREL was Dr. Lance Hansen, and the Director was Dr. Robert E. Davis. COL Bryan S. Green was Commander of ERDC, and Dr. David W...Station, Green - land, and that will be founded on a compacted snow surface. The defor- mation of snow under a constant load (creep deformation, or...developed in this study are enough similar to the generalized creep model used in the ABAQUS finite element software that the ABAQUS creep model was used
Petropoulos, George P.; Konstas, Ioannis; Carlson, Toby N.
2013-04-01
Use of simulation process models has played a key role in extending our abilities to study Earth system processes and enhancing our understanding on how different components of it interplay. Use of such models combined with Earth Observation (EO) data provides a promising direction towards deriving accurately spatiotemporal estimates of key parameters characterising land surface interactions, by combining the horizontal coverage and spectral resolution of remote sensing data with the vertical coverage and fine temporal continuity of those models. SimSphere is such a software toolkit written in Java for simulating the interactions of soil, vegetation and atmosphere layers of the Earth's land surface. Its use is at present continually expanding worldwide both as an educational and as a research tool for scientific investigations. It is being used either as a stand-alone application or synergistically with EO data. Herein we present recent advancements introduced to SimSphere in different aspects of the model aiming to make its use more robust when used both as a standalone application and synergistically with EO data. We have extensively tested and updated the model code, as well as enhanced it with new functionalities. These included for example taking into account the thermal inertia variation in soil moisture, simulating additional parameters characterising land surface interactions, automating the model use when integrating it with EO data via the "triangle" method and developing batch processing operations. Use of these recently introduced to the model functionalities are illustrated herein using a variety of examples. Our work is significant to the users' community of the model and very timely, given the potential use of SimSphere in an EO-based method being under development for deriving operationally regional estimates of energy fluxes and soil moisture from EO data provided by non-commercial vendors. KEYWORDS: land surface interactions, land surface process
Collision statistics in sheared inelastic hard spheres.
Bannerman, Marcus N; Green, Thomas E; Grassia, Paul; Lue, Leo
2009-04-01
The dynamics of sheared inelastic-hard-sphere systems is studied using nonequilibrium 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 over more direct, head-on collisions. Examination of the distribution of the times 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 direct Monte Carlo simulation of the Enskog equation. Results of the kinetic model of Montanero [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.
Collinear swimmer propelling a cargo sphere at low Reynolds number
Felderhof, B U
2014-01-01
The swimming velocity and rate of dissipation of a linear chain consisting of two or three little spheres and a big sphere is studied on the basis of low Reynolds number hydrodynamics. The big sphere is treated as a passive cargo, driven by the tail of little spheres via hydrodynamic and direct elastic interaction. The fundamental solution of Stokes' equations in the presence of a sphere with no-slip boundary condition, as derived by Oseen, is used to model the hydrodynamic interactions between the big sphere and the little spheres.
Numerical Simulation of Random Close Packings in Particle Deformation from Spheres to Cubes
Institute of Scientific and Technical Information of China (English)
ZHAO Jian; LI Shui-Xiang
2008-01-01
Variation of packing density in particle deforming from spheres to cubes is studied. A new model is presented to describe particle deformation between different particle shapes. Deformation is simulated by relative motion of component spheres in the sphere assembly model of a particle. Random close packings of particles in deformation form spheres to cubes are simulated with an improved relaxation algorithm. Packings in both 2D and 3D cases are simulated. With the simulations, we find that the packing density increases while the particle sphericity decreases in the deformation. Spheres and cubes give the minimum (0.6404) and maximum (0.7755) of packing density in the deformation respectively. In each deforming step, packings starting from a random configuration and from the final packing of last deforming step are both simulated. The packing density in the latter case is larger than the former in two dimensions, but is smaller in three dimensions. The deformation model can be applied to other particle shapes as well.
Modeling of branching density and branching distribution in low-density polyethylene polymerization
Kim, D.M.; Iedema, P.D.
2008-01-01
Low-density polyethylene (ldPE) is a general purpose polymer with various applications. By this reason, many publications can be found on the ldPE polymerization modeling. However, scission reaction and branching distribution are only recently considered in the modeling studies due to difficulties i
Quark matter at high density based on an extended confined isospin-density-dependent mass model
Qauli, A. I.; Sulaksono, A.
2016-01-01
We investigate the effect of the inclusion of relativistic Coulomb terms in a confined-isospin-density-dependent-mass (CIDDM) model of strange quark matter (SQM). We found that if we include the Coulomb term in scalar density form, the SQM equation of state (EOS) at high densities is stiffer but if we include the Coulomb term in vector density form it is softer than that of the standard CIDDM model. We also investigate systematically the role of each term of the extended CIDDM model. Compared with what was reported by Chu and Chen [Astrophys. J. 780, 135 (2014)], we found the stiffness of SQM EOS is controlled by the interplay among the oscillator harmonic, isospin asymmetry and Coulomb contributions depending on the parameter's range of these terms. We have found that the absolute stable condition of SQM and the mass of 2 M⊙ pulsars can constrain the parameter of oscillator harmonic κ1≈0.53 in the case the Coulomb term is excluded. If the Coulomb term is included, for the models with their parameters are consistent with SQM absolute stability condition, the 2.0 M⊙ constraint more prefers the maximum mass prediction of the model with the scalar Coulomb term than that of the model with the vector Coulomb term. On the contrary, the high densities EOS predicted by the model with the vector Coulomb is more compatible with the recent perturbative quantum chromodynamics result [1] than that predicted by the model with the scalar Coulomb. Furthermore, we also observed the quark composition in a very high density region depends quite sensitively on the kind of Coulomb term used.
Exact Maps in Density Functional Theory for Lattice Models
Dimitrov, Tanja; Fuks, Johanna I; Rubio, Angel
2015-01-01
In the present work, we employ exact diagonalization for model systems on a real-space lattice to explicitly construct the exact density-to-potential and for the first time the exact density-to-wavefunction map that underly the Hohenberg-Kohn theorem in density functional theory. Having the explicit wavefunction-to- density map at hand, we are able to construct arbitrary observables as functionals of the ground-state density. We analyze the density-to-potential map as the distance between the fragments of a system increases and the correlation in the system grows. We observe a feature that gradually develops in the density-to-potential map as well as in the density-to-wavefunction map. This feature is inherited by arbitrary expectation values as functional of the ground-state density. We explicitly show the excited-state energies, the excited-state densities, and the correlation entropy as functionals of the ground-state density. All of them show this exact feature that sharpens as the coupling of the fragmen...
Model comparison for the density structure along solar prominence threads
Arregui, I
2015-01-01
Quiescent solar prominence fine structures are typically modelled as density enhancements, called threads, which occupy a fraction of a longer magnetic flux tube. The profile of the mass density along the magnetic field is however unknown and several arbitrary alternatives are employed in prominence wave studies. We present a comparison of theoretical models for the field-aligned density along prominence fine structures. We consider Lorentzian, Gaussian, and parabolic profiles. We compare their theoretical predictions for the period ratio between the fundamental transverse kink mode and the first overtone to obtain estimates for the ratio of densities between the central part of the tube and its foot-points and to assess which one would better explain observed period ratio data. Bayesian parameter inference and model comparison techniques are developed and applied. Parameter inference requires the computation of the posterior distribution for the density gradient parameter conditional on the observable period...
Current Density and Continuity in Discretized Models
Boykin, Timothy B.; Luisier, Mathieu; Klimeck, Gerhard
2010-01-01
Discrete approaches have long been used in numerical modelling of physical systems in both research and teaching. Discrete versions of the Schrodinger equation employing either one or several basis functions per mesh point are often used by senior undergraduates and beginning graduate students in computational physics projects. In studying…
Energy Technology Data Exchange (ETDEWEB)
El Naschie, M.S. [P.O. Box 272, Cobham, Surrey KT11 2FQ (United Kingdom)
2005-04-01
The paper gives a short outline of some interesting relations between sphere packing in higher dimensional spaces, the theory of P-Brane and the number of elementary particles in the standard model. In particular we show that the 336 independent components of the Riemann curvature tensor may be represented by the contact points of 336 nine-dimensional spheres with a single central sphere embedded in 10 dimensions. Subsequently we show that the number of states in the 11-dimensional P-Brane super gravity, namely 528 may be found from the number of the contact points by scale transformation involving the seven-dimensional sphere and 11-dimensional M theory. Finally by eliminating shadow particles and using Kappa-like invariance, the theoretical number of elementary particles to be expected at an energy scale close to that of electro weak unification is found to beN(SM)=[(336)(11/7)]/8=66.Considering that there are at present only 60 experimentally confirmed particles, the result implies that there are some 6 particles still missing.
Spectral density method to Anderson-Holstein model
Chebrolu, Narasimha Raju; Chatterjee, Ashok
2015-06-01
Two-parameter spectral density function of a magnetic impurity electron in a non-magnetic metal is calculated within the framework of the Anderson-Holstein model using the spectral density approximation method. The effect of electron-phonon interaction on the spectral function is investigated.
Macromolecule-Induced Clustering of Hard Spheres.
Chatterjee, Avik Prasun
2001-06-01
The connectivity Ornstein-Zernike formalism, together with the polymer reference interaction site model (PRISM), is employed to describe connectivity and network formation in mixtures of spheres and polymers. Results are presented for the percolation of spheres induced by both flexible coil-like and rigid rod-like linear polymers; the Percus-Yevick (PY) approximation is used throughout. Our results are compared with predictions based on the adhesive hard sphere (AHS) model, and correlations with the polymer-mediated second virial coefficient between spheres are discussed. Copyright 2001 Academic Press.
Energy Technology Data Exchange (ETDEWEB)
Jablonowski, Christiane [Univ. of Michigan, Ann Arbor, MI (United States)
2015-07-14
The research investigates and advances strategies how to bridge the scale discrepancies between local, regional and global phenomena in climate models without the prohibitive computational costs of global cloud-resolving simulations. In particular, the research explores new frontiers in computational geoscience by introducing high-order Adaptive Mesh Refinement (AMR) techniques into climate research. AMR and statically-adapted variable-resolution approaches represent an emerging trend for atmospheric models and are likely to become the new norm in future-generation weather and climate models. The research advances the understanding of multi-scale interactions in the climate system and showcases a pathway how to model these interactions effectively with advanced computational tools, like the Chombo AMR library developed at the Lawrence Berkeley National Laboratory. The research is interdisciplinary and combines applied mathematics, scientific computing and the atmospheric sciences. In this research project, a hierarchy of high-order atmospheric models on cubed-sphere computational grids have been developed that serve as an algorithmic prototype for the finite-volume solution-adaptive Chombo-AMR approach. The foci of the investigations have lied on the characteristics of both static mesh adaptations and dynamically-adaptive grids that can capture flow fields of interest like tropical cyclones. Six research themes have been chosen. These are (1) the introduction of adaptive mesh refinement techniques into the climate sciences, (2) advanced algorithms for nonhydrostatic atmospheric dynamical cores, (3) an assessment of the interplay between resolved-scale dynamical motions and subgrid-scale physical parameterizations, (4) evaluation techniques for atmospheric model hierarchies, (5) the comparison of AMR refinement strategies and (6) tropical cyclone studies with a focus on multi-scale interactions and variable-resolution modeling. The results of this research project
Modelling of a compact anisotropic star as an anisotropic fluid sphere in $f(T)$ gravity
Momeni, D; Qaisar, S; Zaz, Zaid; Myrzakulov, R
2016-01-01
In this paper, we have studied the new exact model of anisotropic star in $f(T)$ theory of gravity. The dynamical equations in $f(T)$ theory with the anisotropic fluid have been solved by using Krori-Barua solution. We have determined that all the obtained solutions are free from central singularity and potentially stable. The observed values of mass and radius of the different strange stars RX J 1856-37, Her X-1, and Vela X-12 have been used to calculate the values of unknown constants in Krori and Barua metric. The physical parameters like anisotropy, stability and redshift of the stars have been investigated in detail.
Density Models for Velocity Analysis of Jet Impinged CEDM Missile
Energy Technology Data Exchange (ETDEWEB)
Jo, Won Ho; Kang, Tae Kyo; Cho, Yeon Ho; Chang, Sang Gyoon; Lee, Dae Hee [KEPCO EnC, Daejeon (Korea, Republic of)
2015-05-15
A control element drive mechanism (CEDM) can be a potential missile in the reactor head area during one of the postulated accidents. The CEDM is propelled by the high speed water jet discharged from a broken upper head nozzle. The jet expansion models to predict the missile velocity have been investigated by Kang et al. The previous work of Kang et al. showed a continuous increase in missile velocity as the CEDM missile travels. But it is not natural in that two phase flow from the nozzle break exit tends to disperse and the thrust force on the missile decreases along the distance of the travel. The jet flow also interacts with the air surrounding itself. Therefore, the density change has to be included in the estimation of the missile velocity. In this paper, two density change models of the water jet are introduced for the jet expansion models along with the distance from the nozzle break location. The first one is the direct approximation model. Two density approximation models are introduced to predict the CEDM missile velocity. For each model, the effects of the expanded jet area were included as the area ratio to the exit nozzle area. In direct approximation model, the results have showed rapid decrease in both density and missile velocity. In pressure approach model, the density change is assumed perfectly proportional to the pressure change, and the results showed relatively smooth change in both density and missile velocity comparing to the direct approximation model. Using the model developed by Kang et al.., the maximum missile velocity is about 4 times greater comparing to the pressure approach model since the density is constant as the jet density at the nozzle exit in their model. Pressure approach model has benefits in that this model adopted neither curve fitting nor extrapolation unlike the direct approximation model, and included the effects of density change which are not considered in the model developed by Kang et al. So, this model is
Gelation in a model 1-component system with adhesive hard-sphere interactions
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).
Mokhov, Igor I; Chefranov, A G
2016-01-01
We get point vortices dynamics equations on a rotating sphere surface directly from the hydrodynamic equations as representing their weak exact solution contrary to the conventional case of the use of a kinematic relationship between a given singular vortex field and velocity field. It is first time that the effect of a sphere rotation on the vortices interaction is accounted for in exact form. We show that only the stream function of a vortex pair of antipodal vortices (APV), and only it satisfies the original three-dimensional hydrodynamics equations on a sphere. We prove that only APV pair with two point vortices in the diameter-conjugated points of a sphere with equal by quantity but different sign circulations may be correctly considered as an elementary (stationary, not self-affecting) singular point object on a sphere. We suggest using the axis connecting the two point vortices in an APV for describing of an axis of rotation of the global vortices introduced in (Barrett, 1958) to reflect the observed g...
Directory of Open Access Journals (Sweden)
Irina V. Vorobyeva
2015-01-01
Full Text Available The aim of the present article is to discuss current opportunities for prevention of vandal behavior of young people, taking into account the structural features of valuable sphere of teenagers and young men. Methods. Methods involve psychognostic techniques such as an axiological questionnaire by S.Schwarz, a questionnaire «Motives of vandal behaviour» by I. V. Vorobyeva, O. V. Kruzhkova, S. A. Ostrikova; method of theoretical modelling. Results. Vandalism is described as a fairly common phenomenon among young people, which may be the result not only of deviant orientation of the individual, but also the result of a mismatch of individual values of teenager or young man and imposed by society requirements for his value orientations. 832 teenagers took part in the complex psychological studies. The following four different groups of respondents have been identified and studied: – with an agreed system of prosocial value orientations; – respondents with a mismatched (deformed system of values; – respondents with a destructive (antagonistic system of value orientations; – respondents with agreed antisocial system of value orientations. The model of prevention of vandalism among young people is developed on the basis of the psychological characteristics of these groups and the description of the genesis and causes of vandal behavior with following applying the method of theoretical modeling. This model is based on the principles of accounting axiological aspects of regulation of activity, consideration of personal values as a dynamic system, taking into account the degree of stability of the system of individual value orientations, differentiation and depth of the psychological impact of variation in the choice of forms and methods of psychological influence. The recommendations are proposed; the most appropriate psychological work aspects with each of the groups of respondents are described. Scientific novelty. The proposed authors
A Trade Study of Thermosphere Empirical Neutral Density Models
2014-08-01
into the ram direction, and m is the satellite mass. The velocity ?⃗? equals to the satellite velocity in the corotating Earth frame ?⃗?...drag force. In a trade study we have investigated a methodology to assess performances of neutral density models in predicting orbit against a... assess overall errors in orbit prediction expected from empirical density models. They have also been adapted in an analysis tool Satellite Orbital
Variable Density Effects in Stochastic Lagrangian Models for Turbulent Combustion
2016-07-20
PDF methods have proven useful in modelling turbulent combustion, primarily because convection and complex reactions can be treated without the need...modelled transport equation fir the joint PDF of velocity, turbulent frequency and composition (species mass fractions and enthalpy ). The advantages of...PDF methods in dealing with chemical reaction and convection are preserved irrespective of density variation. Since the density variation in a typical
Wang, Kai; Hu, Tao; Hassabou, Abdel H.; Spinnler, Markus; Polifke, Wolfgang
2013-01-01
Condensers serve as important components for humidification-dehumidification (HDH) desalination plants. Based on the interpenetration continua approach with volume averaging technique, a mathematical dynamic model for analyzing the heat and mass transfer within direct contact condensers with co-current or countercurrent flow arrangement was developed. It was validated against the experimental data from a small scale HDH desalination system. Comparisons including the productivities and the temperature profiles of gas, liquid, and solid phases show good agreement with the measurements. Phase change material (PCM) melting processes have little effect on water production rate for co-current flow arrangement, but the condenser packed with PCM capsules have higher water production rates than that packed with air capsules packed under given conditions. The relative humidity profile of the bulk gas shows contrary trend with the gas temperature profile. The direct contact condenser with countercurrent flow arrangement can provide much better heat and mass transfer between gas and water and produce about 16.3% more fresh water than the same condenser with co-current flow arrangement in 4 h under given conditions.
Saccomandi, Paola; Larocca, Enza Stefania; Rendina, Veneranda; Schena, Emiliano; D'Ambrosio, Roberto; Crescenzi, Anna; Di Matteo, Francesco Maria; Silvestri, Sergio
2016-08-01
The investigation of laser-tissue interaction is crucial for diagnostics and therapeutics. In particular, the estimation of tissue optical properties allows developing predictive models for defining organ-specific treatment planning tool. With regard to laser ablation (LA), optical properties are among the main responsible for the therapy efficacy, as they globally affect the heating process of the tissue, due to its capability to absorb and scatter laser energy. The recent introduction of LA for pancreatic tumor treatment in clinical studies has fostered the need to assess the laser-pancreas interaction and hence to find its optical properties in the wavelength of interest. This work aims at estimating optical properties (i.e., absorption, μ a , scattering, μ s , anisotropy, g, coefficients) of neuroendocrine pancreas tumor at 1064 nm. Experiments were performed using two popular sample storage methods; the optical properties of frozen and paraffin-embedded neuroendocrine tumor of the pancreas are estimated by employing a double-integrating-sphere system and inverse Monte Carlo algorithm. Results show that paraffin-embedded tissue is characterized by absorption and scattering coefficients significantly higher than frozen samples (μ a of 56 cm(-1) vs 0.9 cm(-1), μ s of 539 cm(-1) vs 130 cm(-1), respectively). Simulations show that such different optical features strongly influence the pancreas temperature distribution during LA. This result may affect the prediction of therapeutic outcome. Therefore, the choice of the appropriate preparation technique of samples for optical property estimation is crucial for the performances of the mathematical models which predict LA thermal outcome on the tissue and lead the selection of optimal LA settings.
Maximum likelihood estimation for semiparametric density ratio model.
Diao, Guoqing; Ning, Jing; Qin, Jing
2012-06-27
In the statistical literature, the conditional density model specification is commonly used to study regression effects. One attractive model is the semiparametric density ratio model, under which the conditional density function is the product of an unknown baseline density function and a known parametric function containing the covariate information. This model has a natural connection with generalized linear models and is closely related to biased sampling problems. Despite the attractive features and importance of this model, most existing methods are too restrictive since they are based on multi-sample data or conditional likelihood functions. The conditional likelihood approach can eliminate the unknown baseline density but cannot estimate it. We propose efficient estimation procedures based on the nonparametric likelihood. The nonparametric likelihood approach allows for general forms of covariates and estimates the regression parameters and the baseline density simultaneously. Therefore, the nonparametric likelihood approach is more versatile than the conditional likelihood approach especially when estimation of the conditional mean or other quantities of the outcome is of interest. We show that the nonparametric maximum likelihood estimators are consistent, asymptotically normal, and asymptotically efficient. Simulation studies demonstrate that the proposed methods perform well in practical settings. A real example is used for illustration.
Instability of Extremal Relativistic Charged Spheres
Anninos, P; Anninos, Peter; Rothman, Tony
2002-01-01
With the question, ``Can relativistic charged spheres form extremal black holes?" in mind, we investigate the properties of such spheres from a classical point of view. The investigation is carried out numerically by integrating the Oppenheimer-Volkov equation for relativistic charged fluid spheres and finding interior Reissner-Nordstr\\"om solutions for these objects. We consider both constant density and adiabatic equations of state, as well as several possible charge distributions, and examine stability by both a normal mode and an energy analysis. In all cases, the stability limit for these spheres lies between the extremal ($Q = M$) limit and the black hole limit ($R = R_+$). That is, we find that charged spheres undergo gravitational collapse before they reach $Q = M$, suggesting that extremal Reissner-Nordtr\\"om black holes produced by collapse are ruled out. A general proof of this statement would support a strong form of the cosmic censorship hypothesis, excluding not only stable naked singularities, ...
Matrix dynamics of fuzzy spheres
Jatkar, D P; Wadia, S R; Yogendran, K P; Jatkar, Dileep P.; Mandal, Gautam; Wadia, Spenta R.
2002-01-01
We study the dynamics of fuzzy two-spheres in a matrix model which represents string theory in the presence of RR flux. We analyze the stability of known static solutions of such a theory which contain commuting matrices and SU(2) representations. We find that irreducible as well as reducible representations are stable. Since the latter are of higher energy, this stability poses a puzzle. We resolve this puzzle by noting that reducible representations have marginal directions corresponding to non-spherical deformations. We obtain new static solutions by turning on these marginal deformations. These solutions now have instability or tachyonic directions. We discuss condensation of these tachyons which correspond to classical trajectories interpolating from multiple, small fuzzy spheres to a single, large sphere. We briefly discuss spatially independent configurations of a D3/D5 system described by the same matrix model which now possesses a supergravity dual.
Model comparison for the density structure along solar prominence threads
Arregui, I.; Soler, R.
2015-06-01
Context. Quiescent solar prominence fine structures are typically modelled as density enhancements, called threads, which occupy a fraction of a longer magnetic flux tube. This is justified from the spatial distribution of the imaged plasma emission or absorption of prominences at small spatial scales. The profile of the mass density along the magnetic field is unknown, however, and several arbitrary alternatives are employed in prominence wave studies. The identification and measurement of period ratios from multiple harmonics in standing transverse thread oscillations offer a remote diagnostics method to probe the density variation of these structures. Aims: We present a comparison of theoretical models for the field-aligned density along prominence fine structures. They aim to imitate density distributions in which the plasma is more or less concentrated around the centre of the magnetic flux tube. We consider Lorentzian, Gaussian, and parabolic profiles. We compare theoretical predictions based on these profiles for the period ratio between the fundamental transverse kink mode and the first overtone to obtain estimates for the density ratios between the central part of the tube and its foot-points and to assess which one would better explain observed period ratio data. Methods: Bayesian parameter inference and model comparison techniques were developed and applied. To infer the parameters, we computed the posterior distribution for the density gradient parameter that depends on the observable period ratio. The model comparison involved computing the marginal likelihood as a function of the period ratio to obtain the plausibility of each density model as a function of the observable. We also computed the Bayes factors to quantify the relative evidence for each model, given a period ratio observation. Results: A Lorentzian density profile, with plasma density concentrated around the centre of the tube, seems to offer the most plausible inversion result. A
A Model of Foam Density Prediction for Expanded Perlite Composites
Directory of Open Access Journals (Sweden)
Arifuzzaman Md
2015-01-01
Full Text Available Multiple sets of variables associated with expanded perlite particle consolidation in foam manufacturing were analyzed to develop a model for predicting perlite foam density. The consolidation of perlite particles based on the flotation method and compaction involves numerous variables leading to the final perlite foam density. The variables include binder content, compaction ratio, perlite particle size, various perlite particle densities and porosities, and various volumes of perlite at different stages of process. The developed model was found to be useful not only for prediction of foam density but also for optimization between compaction ratio and binder content to achieve a desired density. Experimental verification was conducted using a range of foam densities (0.15 – 0.5 g/cm3 produced with a range of compaction ratios (1.5 – 3.5, a range of sodium silicate contents (0.05 – 0.35 g/ml in dilution, a range of expanded perlite particle sizes (1 – 4 mm, and various perlite densities (such as skeletal, material, bulk, and envelope densities. A close agreement between predictions and experimental results was found.
Energy Technology Data Exchange (ETDEWEB)
Mandev, P.
1984-01-01
The hydrocarbon sphere is understood to be the area in which hydrocarbon compounds are available. It is believed that the lower boundary on the hydrocarbon sphere is most probably located at a depth where the predominant temperatures aid in the destruction of hydrocarbons (300 to 400 degrees centigrade). The upper limit on the hydrocarbon sphere obviously occurs at the earth's surface, where hydrocarbons oxidize to H20 and CO2. Within these ranges, the occurrence of the hydrocarbon sphere may vary from the first few hundred meters to 15 kilometers or more. The hydrocarbon sphere is divided into the external (mantle) sphere in which the primary gas, oil and solid hydrocarbon fields are located, and the internal (metamorphic) sphere containing primarily noncommercial accumulations of hydrocarbon gases and solid carbon containing compounds (anthraxilite, shungite, graphite, etc.) based on the nature and scale of hydrocarbon compound concentrations (natural gas, oil, maltha, asphalt, asphaltite, etc.).
Small-world networks on a sphere
Corso, Gilberto; Torres Cruz, Claudia P.
2017-01-01
The Small-World Network on a Sphere SWNS is a non-crossing network that has no hubs and presents the small-world property diam log N with diam being the maximal distance between any two vertices and N being the number of vertices. The SWNS is constructed using a partition of the sphere and the parallels are regular sections of the sphere with constant latitude. The number of cells on the parallels, however, increases exponentially from the pole to the equator of the sphere. We analytically compute the distribution of connectivity, the clustering coefficient and the SWNS distances. The resilience of the model against selective attacks is also discussed.
Quark Matter at High Density based on Extended Confined-isospin-density-dependent-mass Model
Qauli, A I
2016-01-01
We investigate the effect of the inclusion of relativistic Coulomb terms in a confined-isospin-density-dependent-mass (CIDDM) model of strange quark matter (SQM). We found that if we include Coulomb term in scalar density form, SQM equation of state (EOS) at high densities is stiffer but if we include Coulomb term in vector density form is softer than that of standard CIDDM model. We also investigate systematically the role of each term of the extended CIDDM model. Compared with what was reported in Ref.~\\cite {ref:isospin}, we found the stiffness of SQM EOS is controlled by the interplay among the the oscillator harmonic, isospin asymmetry and Coulomb contributions depending on the parameter's range of these terms. We have found that the absolute stable condition of SQM and the mass of 2 $M_\\odot$ pulsars can constrain the parameter of oscillator harmonic $\\kappa_1$ $\\approx 0.53$ in the case Coulomb term excluded. If the Coulomb term is included, for the models with their parameters are consistent with SQM ...
Exact maps in density functional theory for lattice models
Dimitrov, Tanja; Appel, Heiko; Fuks, Johanna I.; Rubio, Angel
2016-08-01
In the present work, we employ exact diagonalization for model systems on a real-space lattice to explicitly construct the exact density-to-potential and graphically illustrate the complete exact density-to-wavefunction map that underly the Hohenberg-Kohn theorem in density functional theory. Having the explicit wavefunction-to-density map at hand, we are able to construct arbitrary observables as functionals of the ground-state density. We analyze the density-to-potential map as the distance between the fragments of a system increases and the correlation in the system grows. We observe a feature that gradually develops in the density-to-potential map as well as in the density-to-wavefunction map. This feature is inherited by arbitrary expectation values as functional of the ground-state density. We explicitly show the excited-state energies, the excited-state densities, and the correlation entropy as functionals of the ground-state density. All of them show this exact feature that sharpens as the coupling of the fragments decreases and the correlation grows. We denominate this feature as intra-system steepening and discuss how it relates to the well-known inter-system derivative discontinuity. The inter-system derivative discontinuity is an exact concept for coupled subsystems with degenerate ground state. However, the coupling between subsystems as in charge transfer processes can lift the degeneracy. An important conclusion is that for such systems with a near-degenerate ground state, the corresponding cut along the particle number N of the exact density functionals is differentiable with a well-defined gradient near integer particle number.
Fundamental measure theory for hard-sphere mixtures: a review.
Roth, Roland
2010-02-17
Hard-sphere systems are one of the fundamental model systems of statistical physics and represent an important reference system for molecular or colloidal systems with soft repulsive or attractive interactions in addition to hard-core repulsion at short distances. Density functional theory for classical systems, as one of the core theoretical approaches of statistical physics of fluids and solids, has to be able to treat such an important system successfully and accurately. Fundamental measure theory is up to date the most successful and most accurate density functional theory for hard-sphere mixtures. Since its introduction fundamental measure theory has been applied to many problems, tested against computer simulations, and further developed in many respects. The literature on fundamental measure theory is already large and is growing fast. This review aims to provide a starting point for readers new to fundamental measure theory and an overview of important developments.
Toward Quantitative Coarse-Grained Models of Lipids with Fluids Density Functional Theory.
Frink, Laura J Douglas; Frischknecht, Amalie L; Heroux, Michael A; Parks, Michael L; Salinger, Andrew G
2012-04-10
We describe methods to determine optimal coarse-grained models of lipid bilayers for use in fluids density functional theory (fluids-DFT) calculations. Both coarse-grained lipid architecture and optimal parametrizations of the models based on experimental measures are discussed in the context of dipalmitoylphosphatidylcholine (DPPC) lipid bilayers in water. The calculations are based on a combination of the modified-iSAFT theory for bonded systems and an accurate fundamental measures theory (FMT) for hard sphere reference fluids. We furthermore discuss a novel approach for pressure control in the fluids-DFT calculations that facilitates both partitioning studies and zero tension control for the bilayer studies. A detailed discussion of the numerical implementations for both solvers and pressure control capabilities are provided. We show that it is possible to develop a coarse-grained lipid bilayer model that is consistent with experimental properties (thickness and area per lipid) of DPPC provided that the coarse-graining is not too extreme. As a final test of the model, we find that the predicted area compressibility moduli and lateral pressure profiles of the optimized models are in reasonable agreement with prior results.
Eckert, Thomas; Richtering, Walter
2008-09-28
The colloidal phase behavior, structure factors, short-time collective diffusion coefficients, and hydrodynamic interactions of concentrated poly(N-isopropylacryamide) (PNiPAM) microgels in dimethylformamide suspensions were measured with simultaneous static and dynamic three-dimensional cross-correlated light scattering. The data are interpreted through comparison with hard sphere theory. The fluid-crystal transition and the static structure factors can be described consistently by the hard sphere approximation. On the other hand, collective diffusion and hydrodynamic interaction cannot be described satisfactorily by the hard sphere model. The microgel structure is different from hard spheres, as the cross-link density decreases with the distance from the particle center leading to a "fuzzy" particle surface with dangling polymer chains. These seem to affect the hydrodynamic interaction much more as compared to direct thermodynamic interaction.
Probability density function modeling for sub-powered interconnects
Pater, Flavius; Amaricǎi, Alexandru
2016-06-01
This paper proposes three mathematical models for reliability probability density function modeling the interconnect supplied at sub-threshold voltages: spline curve approximations, Gaussian models,and sine interpolation. The proposed analysis aims at determining the most appropriate fitting for the switching delay - probability of correct switching for sub-powered interconnects. We compare the three mathematical models with the Monte-Carlo simulations of interconnects for 45 nm CMOS technology supplied at 0.25V.
Hidden Markov Models with Factored Gaussian Mixtures Densities
Institute of Scientific and Technical Information of China (English)
LI Hao-zheng; LIU Zhi-qiang; ZHU Xiang-hua
2004-01-01
We present a factorial representation of Gaussian mixture models for observation densities in Hidden Markov Models(HMMs), which uses the factorial learning in the HMM framework. We derive the reestimation formulas for estimating the factorized parameters by the Expectation Maximization (EM) algorithm. We conduct several experiments to compare the performance of this model structure with Factorial Hidden Markov Models(FHMMs) and HMMs, some conclusions and promising empirical results are presented.
Thoré, Philippe; Pastor, Franck; Pastor, Joseph; Kondo, Djimedo
2009-05-01
Though the solution to the limit analysis problem of the hollow sphere model—with a von Mises matrix and under spherical symmetry—is well known, it is not available, to our knowledge, for both isotropic loadings (tension and compression) in the case of a Coulomb matrix and partially for a Drucker-Prager matrix. In the present Note, we establish in a unified framework, for this class of materials, closed-form solutions for stress and strain fields in a hollow sphere under external isotropic tension and compression. These analytical results not only give useful reference solutions, but can also be considered as a part of a trial velocity field in the hollow sphere submitted to an arbitrary loading. Comparisons with 3D finite element-based limit analysis approaches and with recent results in the literature are provided. In addition to the established analytical results, we present a rigorous evaluation of a recent Gurson-type macroscopic criterion corresponding to the Drucker-Prager hollow sphere under an arbitrary loading, by means of the previous 3D limit analysis codes. To cite this article: Ph. Thoré et al., C. R. Mecanique 337 (2009).
The complete T-->V,R energy conversion in three-body collisions within the hard sphere model.
Azriel, Vladimir M; Rusin, Lev Yu; Sevryuk, Mikhail B
2005-02-15
It is shown that in hard sphere (impulsive) collisions of atoms with diatomic molecules, complete conversion of the collision energy into the internal energy of the diatomic partner is possible for any number of impacts between the elastic balls representing the particles. The corresponding collision geometries and relations between the masses of the particles are described in detail.
The Z3 model with the density of states method
Mercado, Ydalia Delgado; Gattringer, Christof
2014-01-01
In this contribution we apply a new variant of the density of states method to the Z3 spin model at finite density. We use restricted expectation values evaluated with Monte Carlo simulations and study their dependence on a control parameter lambda. We show that a sequence of one-parameter fits to the Monte-Carlo data as a function of lambda is sufficient to completely determine the density of states. We expect that this method has smaller statistical errors than other approaches since all generated Monte Carlo data are used in the determination of the density. We compare results for magnetization and susceptibility to a reference simulation in the dual representation of the Z3 spin model and find good agreement for a wide range of parameters.
Nuclear Level Density: Shell Model vs Mean Field
Sen'kov, Roman
2015-01-01
The knowledge of the nuclear level density is necessary for understanding various reactions including those in the stellar environment. Usually the combinatorics of Fermi-gas plus pairing is used for finding the level density. Recently a practical algorithm avoiding diagonalization of huge matrices was developed for calculating the density of many-body nuclear energy levels with certain quantum numbers for a full shell-model Hamiltonian. The underlying physics is that of quantum chaos and intrinsic thermalization in a closed system of interacting particles. We briefly explain this algorithm and, when possible, demonstrate the agreement of the results with those derived from exact diagonalization. The resulting level density is much smoother than that coming from the conventional mean-field combinatorics. We study the role of various components of residual interactions in the process of thermalization, stressing the influence of incoherent collision-like processes. The shell-model results for the traditionally...
Gutzwiller study of extended Hubbard models with fixed boson densities
Energy Technology Data Exchange (ETDEWEB)
Kimura, Takashi [Department of Information Sciences, Kanagawa University, 2946 Tsuchiya, Hiratsuka, Kanagawa 259-1293 (Japan)
2011-12-15
We studied all possible ground states, including supersolid (SS) phases and phase separations of hard-core- and soft-core-extended Bose-Hubbard models with fixed boson densities by using the Gutzwiller variational wave function and the linear programming method. We found that the phase diagram of the soft-core model depends strongly on its transfer integral. Furthermore, for a large transfer integral, we showed that an SS phase can be the ground state even below or at half filling against the phase separation. We also found that the density difference between nearest-neighbor sites, which indicates the density order of the SS phase, depends strongly on the boson density and transfer integral.
The density wave in a new anisotropic continuum model
Institute of Scientific and Technical Information of China (English)
Ge Hong-Xia; Dai Shi-Qiang; Dong Li-Yun
2008-01-01
In this paper the new continuum traffic flow model proposed by Jiang et al is developed based on an improved car-following model,in which the speed gradient term replaces the density gradient term in the equation of motion.It overcomes the wrong-way travel which exists in many high-order continuum models.Based on the continuum version of car-following model,the condition for stable traffic flow is derived.Nonlinear analysis shows that the density fluctuation in traffic flow induces a variety of density waves.Near the onset of instability,a small disturbance could lead to solitons determined by the Korteweg-de-Vries (KdV) equation,and the soliton solution is derived.
A Joint Density Function in the Renewal Risk Model
Institute of Scientific and Technical Information of China (English)
XU HUAI; TANG LING; Wang De-hui
2013-01-01
In this paper,we consider a general expression for (Φ)(u,x,y),the joint density function of the surplus prior to ruin and the deficit at ruin when the initial surplus is u.In the renewal risk model,this density function is expressed in terms of the corresponding density function when the initial surplus is 0.In the compound Poisson risk process with phase-type claim size,we derive an explicit expression for (Φ)(u,x,y).Finally,we give a numerical example to illustrate the application of these results.
Modeling of plasma density in the earth's dayside inner magnetosphere
Domrachev, VV; Chugunin, DV
2002-01-01
The results of comparison of the model profiles of density, obtained by means of the CDPDM model, with the experimental data of the ISEE-1 satellite for the years 1977-1983 are presented. The hypothesis on the validity of the mirror mapping of the convection boundary relative to the dawn-dusk
Konn, Daniel; Gowland, Penny; Bowtell, Richard
2003-07-01
To investigate the feasibility of direct MR detection of neuronal activity in the brain, neuronal current flow was modeled as an extended current dipole located in a conducting sphere. The spatially varying magnetic field induced within the sphere by such a dipole was calculated, including its form close to and within the current source. The predicted field variation was experimentally verified by measurements of the variation in phase of the MR signal in a sphere containing a model dipole. The effects of the calculated magnetic field distributions on the phase and magnitude of the signal in MR images were explored. The minimum detectable dipole strength under normal experimental conditions was calculated to be about 4.5 nAm, which is similar in magnitude to dipole strengths from evoked neuronal activity, and is an order of magnitude smaller than dipole strengths expected from spontaneous activity. This minimum detectable dipole strength increases with increasing spatial extent of the primary current distribution. In the experimental work, the effects of a field of [1.1 +/- 0.5] x 10(-10) T strength were detected, corresponding to the maximum net field caused by a dipole of 6.3 nAm strength with a spatial extent of 3 x 3 x 2 mm(3). Copyright 2003 Wiley-Liss, Inc.
Panoramic stereo sphere vision
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.
Modelling density segregation in flowing bidisperse granular materials
Xiao, Hongyi; Umbanhowar, Paul B.; Ottino, Julio M.; Lueptow, Richard M.
2016-07-01
Preventing segregation in flowing granular mixtures is an ongoing challenge for industrial processes that involve the handling of bulk solids. A recent continuum-based modelling approach accurately predicts spatial concentration fields in a variety of flow geometries for mixtures varying in particle size. This approach captures the interplay between advection, diffusion and segregation using kinematic information obtained from experiments and/or discrete element method (DEM) simulations combined with an empirically determined relation for the segregation velocity. Here, we extend the model to include density-driven segregation, thereby validating the approach for the two important cases of practical interest. DEM simulations of density bidisperse flows of mono-sized particles in a quasi-two-dimensional-bounded heap were performed to determine the dependence of the density-driven segregation velocity on local shear rate and particle concentration. The model yields theoretical predictions of segregation patterns that quantitatively match the DEM simulations over a range of density ratios and flow rates. Matching experiments reproduce the segregation patterns and quantitative segregation profiles obtained in both the simulations and the model, thereby demonstrating that the modelling approach captures the essential physics of density-driven segregation in granular heap flow.
Calculation and Study on Model of Crushing Load of HTR Absorption Sphere%高温气冷堆吸收球压碎力模型的计算与研究
Institute of Scientific and Technical Information of China (English)
郭婷; 王晨; 董利民; 郭文利; 梁彤祥
2013-01-01
吸收球停堆系统是10 M W高温气冷堆的第二停堆系统。吸收球为含25％ B4 C的石墨小球，B4 C弥散分布在石墨基体上。压碎力是吸收球的一重要性能指标，与球直径密切相关。采用石墨球模拟高温气冷堆吸收球，研究了石墨球直径和密度对压碎力的影响规律。选用3种不同密度的石墨，加工成5种不同直径的小球，进行压碎实验。研究结果表明：球的压碎力与直径的平方成正比；直径一定时，石墨球的密度越大，压碎力越大。提高石墨球的密度是提高压碎力的有效途径。%T he absorption sphere shutdow n system is the second shutdow n system of 10 MW HTR .The absorption sphere contains 25% B4C ,dispersing in graphite matrix . The crushing load ,which is an important performance parameter of the absorption sphere ,closely relates to the diameter . The effect of graphite sphere diameter and density on the crushing load was studied using the graphite sphere to simulate HTR absorption spheres .Three kinds of graphites with different densities were chosen and processed into five types of spheres with different diameters , and then the crushing experiment was conducted .The results show that the crushing load of the sphere is proportional to the square of the diameter ,and increases with the density .For a certain diameter of graphite sphere ,increasing the density of the sphere is an effective way to enhance the crushing load .
Effect of instantaneous and continuous quenches on the density of vibrational modes in model glasses
Lerner, Edan; Bouchbinder, Eran
2017-08-01
Computational studies of supercooled liquids often focus on various analyses of their "underlying inherent states"—the glassy configurations at zero temperature obtained by an infinitely fast (instantaneous) quench from equilibrium supercooled states. Similar protocols are also regularly employed in investigations of the unjamming transition at which the rigidity of decompressed soft-sphere packings is lost. Here we investigate the statistics and localization properties of low-frequency vibrational modes of glassy configurations obtained by such instantaneous quenches. We show that the density of vibrational modes grows as ωβ with β depending on the parent temperature T0 from which the glassy configurations were instantaneously quenched. For quenches from high temperature liquid states we find β ≈3 , whereas β appears to approach the previously observed value β =4 as T0 approaches the glass transition temperature. We discuss the consistency of our findings with the theoretical framework of the soft potential model, and contrast them with similar measurements performed on configurations obtained by continuous quenches at finite cooling rates. Our results suggest that any physical quench at rates sufficiently slower than the inverse vibrational time scale—including all physically realistic quenching rates of molecular or atomistic glasses—would result in a glass whose density of vibrational modes is universally characterized by β =4 .
Universal iso-density polarizable continuum model for molecular solvents
Gunceler, Deniz
2014-01-01
Implicit electron-density solvation models based on joint density-functional theory offer a computationally efficient solution to the problem of calculating thermodynamic quantities of solvated systems from first-principles quantum mechanics. However, despite much recent interest in such models, to date the applicability of such models to non-aqueous solvents has been limited because the determination of the model parameters requires fitting to a large database of experimental solvation energies for each new solvent considered. This work presents an alternate approach which allows development of new solvation models for a large class of protic and aprotic solvents from only simple, single-molecule ab initio calculations and readily available bulk thermodynamic data. We find that this model is accurate to nearly 1.7 kcal/mol even for solvents outside our development set.
Density Functional Theory and Materials Modeling at Atomistic Length Scales
Directory of Open Access Journals (Sweden)
Swapan K. Ghosh
2002-04-01
Full Text Available Abstract: We discuss the basic concepts of density functional theory (DFT as applied to materials modeling in the microscopic, mesoscopic and macroscopic length scales. The picture that emerges is that of a single unified framework for the study of both quantum and classical systems. While for quantum DFT, the central equation is a one-particle Schrodinger-like Kohn-Sham equation, the classical DFT consists of Boltzmann type distributions, both corresponding to a system of noninteracting particles in the field of a density-dependent effective potential, the exact functional form of which is unknown. One therefore approximates the exchange-correlation potential for quantum systems and the excess free energy density functional or the direct correlation functions for classical systems. Illustrative applications of quantum DFT to microscopic modeling of molecular interaction and that of classical DFT to a mesoscopic modeling of soft condensed matter systems are highlighted.
Thermospheric density model biases at the 23rd sunspot maximum
Pardini, C.; Moe, K.; Anselmo, L.
2012-07-01
Uncertainties in the neutral density estimation are the major source of aerodynamic drag errors and one of the main limiting factors in the accuracy of the orbit prediction and determination process at low altitudes. Massive efforts have been made over the years to constantly improve the existing operational density models, or to create even more precise and sophisticated tools. Special attention has also been paid to research more appropriate solar and geomagnetic indices. However, the operational models still suffer from weakness. Even if a number of studies have been carried out in the last few years to define the performance improvements, further critical assessments are necessary to evaluate and compare the models at different altitudes and solar activity conditions. Taking advantage of the results of a previous study, an investigation of thermospheric density model biases during the last sunspot maximum (October 1999 - December 2002) was carried out by analyzing the semi-major axis decay of four satellites: Cosmos 2265, Cosmos 2332, SNOE and Clementine. Six thermospheric density models, widely used in spacecraft operations, were analyzed: JR-71, MSISE-90, NRLMSISE-00, GOST-2004, JB2006 and JB2008. During the time span considered, for each satellite and atmospheric density model, a fitted drag coefficient was solved for and then compared with the calculated physical drag coefficient. It was therefore possible to derive the average density biases of the thermospheric models during the maximum of the 23rd solar cycle. Below 500 km, all the models overestimated the average atmospheric density by amounts varying between +7% and +20%. This was an inevitable consequence of constructing thermospheric models from density data obtained by assuming a fixed drag coefficient, independent of altitude. Because the uncertainty affecting the drag coefficient measurements was about 3% at both 200 km and 480 km of altitude, the calculated air density biases below 500 km were
Hard, charged spheres in spherical pores. Grand canonical ensemble Monte Carlo calculations
DEFF Research Database (Denmark)
Sloth, Peter; Sørensen, T. S.
1992-01-01
A model consisting of hard charged spheres inside hard spherical pores is investigated by grand canonical ensemble Monte Carlo calculations. It is found that the mean ionic density profiles in the pores are almost the same when the wall of the pore is moderately charged as when it is uncharged...
DISE: directed sphere exclusion.
Gobbi, Alberto; Lee, Man-Ling
2003-01-01
The Sphere Exclusion algorithm is a well-known algorithm used to select diverse subsets from chemical-compound libraries or collections. It can be applied with any given distance measure between two structures. It is popular because of the intuitive geometrical interpretation of the method and its good performance on large data sets. This paper describes Directed Sphere Exclusion (DISE), a modification of the Sphere Exclusion algorithm, which retains all positive properties of the Sphere Exclusion algorithm but generates a more even distribution of the selected compounds in the chemical space. In addition, the computational requirement is significantly reduced, thus it can be applied to very large data sets.
Radiomic modeling of BI-RADS density categories
Wei, Jun; Chan, Heang-Ping; Helvie, Mark A.; Roubidoux, Marilyn A.; Zhou, Chuan; Hadjiiski, Lubomir
2017-03-01
Screening mammography is the most effective and low-cost method to date for early cancer detection. Mammographic breast density has been shown to be highly correlated with breast cancer risk. We are developing a radiomic model for BI-RADS density categorization on digital mammography (FFDM) with a supervised machine learning approach. With IRB approval, we retrospectively collected 478 FFDMs from 478 women. As a gold standard, breast density was assessed by an MQSA radiologist based on BI-RADS categories. The raw FFDMs were used for computerized density assessment. The raw FFDM first underwent log-transform to approximate the x-ray sensitometric response, followed by multiscale processing to enhance the fibroglandular densities and parenchymal patterns. Three ROIs were automatically identified based on the keypoint distribution, where the keypoints were obtained as the extrema in the image Gaussian scale-space. A total of 73 features, including intensity and texture features that describe the density and the parenchymal pattern, were extracted from each breast. Our BI-RADS density estimator was constructed by using a random forest classifier. We used a 10-fold cross validation resampling approach to estimate the errors. With the random forest classifier, computerized density categories for 412 of the 478 cases agree with radiologist's assessment (weighted kappa = 0.93). The machine learning method with radiomic features as predictors demonstrated a high accuracy in classifying FFDMs into BI-RADS density categories. Further work is underway to improve our system performance as well as to perform an independent testing using a large unseen FFDM set.
Density functionals and dimensional renormalization for an exactly solvable model
Kais, S.; Herschbach, D. R.; Handy, N. C.; Murray, C. W.; Laming, G. J.
1993-07-01
We treat an analytically solvable version of the ``Hooke's Law'' model for a two-electron atom, in which the electron-electron repulsion is Coulombic but the electron-nucleus attraction is replaced by a harmonic oscillator potential. Exact expressions are obtained for the ground-state wave function and electron density, the Hartree-Fock solution, the correlation energy, the Kohn-Sham orbital, and, by inversion, the exchange and correlation functionals. These functionals pertain to the ``intermediate'' density regime (rs≥1.4) for an electron gas. As a test of customary approximations employed in density functional theory, we compare our exact density, exchange, and correlation potentials and energies with results from two approximations. These use Becke's exchange functional and either the Lee-Yang-Parr or the Perdew correlation functional. Both approximations yield rather good results for the density and the exchange and correlation energies, but both deviate markedly from the exact exchange and correlation potentials. We also compare properties of the Hooke's Law model with those of two-electron atoms, including the large dimension limit. A renormalization procedure applied to this very simple limit yields correlation energies as good as those obtained from the approximate functionals, for both the model and actual atoms.
Ionospheric topside models compared with experimental electron density profiles
Directory of Open Access Journals (Sweden)
S. M. Radicella
2005-06-01
Full Text Available Recently an increasing number of topside electron density profiles has been made available to the scientific community on the Internet. These data are important for ionospheric modeling purposes, since the experimental information on the electron density above the ionosphere maximum of ionization is very scarce. The present work compares NeQuick and IRI models with the topside electron density profiles available in the databases of the ISIS2, IK19 and Cosmos 1809 satellites. Experimental electron content from the F2 peak up to satellite height and electron densities at fixed heights above the peak have been compared under a wide range of different conditions. The analysis performed points out the behavior of the models and the improvements needed to be assessed to have a better reproduction of the experimental results. NeQuick topside is a modified Epstein layer, with thickness parameter determined by an empirical relation. It appears that its performance is strongly affected by this parameter, indicating the need for improvements of its formulation. IRI topside is based on Booker's approach to consider two parts with constant height gradients. It appears that this formulation leads to an overestimation of the electron density in the upper part of the profiles, and overestimation of TEC.
MINIMAL IMMERSIONS OF SPHERES INTO SPHERES
Do Carmo, Manfredo P.; Wallach, Nolan R.
1969-01-01
In this paper we announce a qualitative description of an important class of closed n-dimensional submanifolds of the m-dimensional sphere, namely, those which locally minimize the n-area in the same way that geodesics minimize the arc length and are themselves locally n-spheres of constant radius r; those r that may appear are called admissible. It is known that for n = 2 each admissible r determines a unique element of the above class. The main result here is that for each n ≥ 3 and each admissible r ≥ [unk]8 there exists a continuum of distinct such submanifolds. PMID:16591771
Sloppy nuclear energy density functionals: effective model reduction
Niksic, Tamara
2016-01-01
Concepts from information geometry are used to analyse parameter sensitivity for a nuclear energy density functional, representative of a class of semi-empirical functionals that start from a microscopically motivated ansatz for the density dependence of the energy of a system of protons and neutrons. It is shown that such functionals are sloppy, characterized by an exponential range of sensitivity to parameter variations. Responsive to only a few stiff parameter combinations, they exhibit an exponential decrease of sensitivity to variations of the remaining soft parameters. By interpreting the space of model predictions as a manifold embedded in the data space, with the parameters of the functional as coordinates on the manifold, it is also shown that the exponential distribution of model manifold widths corresponds to the distribution of parameter sensitivity. Using the Manifold Boundary Approximation Method, we illustrate how to systematically construct effective nuclear density functionals of successively...
CSIR Research Space (South Africa)
Robertson Lain, L
2014-07-01
Full Text Available (PFT) analysis. To these ends, an initial validation of a new model of Equivalent Algal Populations (EAP) is presented here. This paper makes a first order comparison of two prominent phytoplankton Inherent Optical Property (IOP) models with the EAP...
Moučka, Filip; Nezbeda, Ivo; Smith, William R
2013-04-21
Thirteen of the most common aqueous NaCl solution force fields based on the SPC/E water solvent are examined with respect to their prediction at ambient conditions of the concentration dependence of the total electrolyte chemical potential and the solution density. We also calculate the salt solubility and the chemical potential and density of the NaCl crystalline solid. We obtain the solution chemical potential in a computationally efficient manner using our recently developed Osmotic Ensemble Monte Carlo method [F. Moučka, M. Lísal, and W. R. Smith, J. Phys. Chem. B 116, 5468 (2012)]. We find that the results of the force fields considered are scattered over a wide range of values, and none is capable of producing quantitatively accurate results over the entire concentration range, with only two of them deemed to be acceptable. Our results indicate that several force fields exhibit precipitation at concentrations below the experimental solubility limit, thus limiting their usefulness. This has important implications, both in general and for their use in biomolecular simulations carried out in the presence of counter-ions. We conclude that either different parameter fitting techniques taking high-concentration properties into account must be used when determining force field model parameters, or that the class of models considered here is intrinsically incapable of the task and more sophisticated mathematical forms must be used.
The High Density Region of QCD from an Effective Model
De Pietri, R; Seiler, E; Stamatescu, I O
2007-01-01
We study the high density region of QCD within an effective model obtained in the frame of the hopping parameter expansion and choosing Polyakov-type loops as the main dynamical variables representing the fermionic matter. This model still shows the so-called sign problem, a difficulty peculiar to non-zero chemical potential, but it permits the development of algorithms which ensure a good overlap of the simulated Monte Carlo ensemble with the true one. We review the main features of the model and present results concerning the dependence of various observables on the chemical potential and on the temperature, in particular of the charge density and the Polykov loop susceptibility, which may be used to characterize the various phases expected at high baryonic density. In this way, we obtain information about the phase structure of the model and the corresponding phase transitions and cross over regions, which can be considered as hints about the behaviour of non-zero density QCD.
Matter density perturbation and power spectrum in running vacuum model
Geng, Chao-Qiang
2016-01-01
We investigate the matter density perturbation $\\delta_m$ and power spectrum $P(k)$ in the running vacuum model (RVM) with the cosmological constant being a function of the Hubble parameter, given by $\\Lambda = \\Lambda_0 + 6 \\sigma H H_0+ 3\
Online traffic flow model applying dynamic flow-density relation
Kim, Y
2002-01-01
This dissertation describes a new approach of the online traffic flow modelling based on the hydrodynamic traffic flow model and an online process to adapt the flow-density relation dynamically. The new modelling approach was tested based on the real traffic situations in various homogeneous motorway sections and a motorway section with ramps and gave encouraging simulation results. This work is composed of two parts: first the analysis of traffic flow characteristics and second the development of a new online traffic flow model applying these characteristics. For homogeneous motorway sections traffic flow is classified into six different traffic states with different characteristics. Delimitation criteria were developed to separate these states. The hysteresis phenomena were analysed during the transitions between these traffic states. The traffic states and the transitions are represented on a states diagram with the flow axis and the density axis. For motorway sections with ramps the complicated traffic fl...
Neutralino Relic Density in a Supersymmetric U(1)' Model
Barger, V; Langacker, P; Lee, H S; Barger, Vernon; Kao, Chung; Langacker, Paul; Lee, Hye-Sung
2004-01-01
We study properties of the lightest neutralino (\\chi) and calculate its cosmological relic density in a supersymmetric U(1)' model with a secluded U(1)' breaking sector (the S-model). The lightest neutralino mass is smaller than in the minimal supersymmetric standard model; for instance, m_\\chi < 100 GeV in the limit that the U(1)' gaugino mass is large compared to the electroweak scale. We find that the Z-\\chi-\\chi coupling can be enhanced due to the singlino components in the extended neutralino sector. Neutralino annihilation through the Z-resonance then reproduces the measured cold dark matter density over broad regions of the model parameter space.
Phylogenetic mixture models can reduce node-density artifacts.
Venditti, Chris; Meade, Andrew; Pagel, Mark
2008-04-01
We investigate the performance of phylogenetic mixture models in reducing a well-known and pervasive artifact of phylogenetic inference known as the node-density effect, comparing them to partitioned analyses of the same data. The node-density effect refers to the tendency for the amount of evolutionary change in longer branches of phylogenies to be underestimated compared to that in regions of the tree where there are more nodes and thus branches are typically shorter. Mixture models allow more than one model of sequence evolution to describe the sites in an alignment without prior knowledge of the evolutionary processes that characterize the data or how they correspond to different sites. If multiple evolutionary patterns are common in sequence evolution, mixture models may be capable of reducing node-density effects by characterizing the evolutionary processes more accurately. In gene-sequence alignments simulated to have heterogeneous patterns of evolution, we find that mixture models can reduce node-density effects to negligible levels or remove them altogether, performing as well as partitioned analyses based on the known simulated patterns. The mixture models achieve this without knowledge of the patterns that generated the data and even in some cases without specifying the full or true model of sequence evolution known to underlie the data. The latter result is especially important in real applications, as the true model of evolution is seldom known. We find the same patterns of results for two real data sets with evidence of complex patterns of sequence evolution: mixture models substantially reduced node-density effects and returned better likelihoods compared to partitioning models specifically fitted to these data. We suggest that the presence of more than one pattern of evolution in the data is a common source of error in phylogenetic inference and that mixture models can often detect these patterns even without prior knowledge of their presence in the
Single crystal plasticity by modeling dislocation density rate behavior
Energy Technology Data Exchange (ETDEWEB)
Hansen, Benjamin L [Los Alamos National Laboratory; Bronkhorst, Curt [Los Alamos National Laboratory; Beyerlein, Irene [Los Alamos National Laboratory; Cerreta, E. K. [Los Alamos National Laboratory; Dennis-Koller, Darcie [Los Alamos National Laboratory
2010-12-23
The goal of this work is to formulate a constitutive model for the deformation of metals over a wide range of strain rates. Damage and failure of materials frequently occurs at a variety of deformation rates within the same sample. The present state of the art in single crystal constitutive models relies on thermally-activated models which are believed to become less reliable for problems exceeding strain rates of 10{sup 4} s{sup -1}. This talk presents work in which we extend the applicability of the single crystal model to the strain rate region where dislocation drag is believed to dominate. The elastic model includes effects from volumetric change and pressure sensitive moduli. The plastic model transitions from the low-rate thermally-activated regime to the high-rate drag dominated regime. The direct use of dislocation density as a state parameter gives a measurable physical mechanism to strain hardening. Dislocation densities are separated according to type and given a systematic set of interactions rates adaptable by type. The form of the constitutive model is motivated by previously published dislocation dynamics work which articulated important behaviors unique to high-rate response in fcc systems. The proposed material model incorporates thermal coupling. The hardening model tracks the varying dislocation population with respect to each slip plane and computes the slip resistance based on those values. Comparisons can be made between the responses of single crystals and polycrystals at a variety of strain rates. The material model is fit to copper.
Observation and modeling of deflagration-to-detonation transition (DDT) in low-density HMX
Tringe, Joseph W.; Vandersall, Kevin S.; Reaugh, John E.; Levie, Harold W.; Henson, Bryan F.; Smilowitz, Laura B.; Parker, Gary R.
2017-01-01
We employ simultaneous flash x-ray radiography and streak imaging, together with a multi-phase finite element model, to understand deflagration-to-detonation transition (DDT) phenomena in low-density (˜1.2 gm/cm3) powder of the explosive cyclotetramethylene-tetranitramine (HMX). HMX powder was lightly hand-tamped in a 12.7 mm diameter column, relatively lightly-confined in an optically-transparent polycarbonate cylinder with wall thickness 25.4 mm. We observe apparent compaction of the powder in advance of the detonation transition by the motion of small steel spheres pre-emplaced throughout the length of explosive. High-speed imaging along the explosive cylinder length provides a more temporally continuous record of the transition that is correlated with the high-resolution x-ray image record. Preliminary simulation of these experiments with the HERMES model implemented in the ALE3D code enables improved understanding of the explosive particle burning, compaction and detonation phenomena which are implied by the observed reaction rate and transition location within the cylinder.
Observation and modeling of deflagration-to-detonation (DDT) transition in low-density HMX
Tringe, Joseph; Vandersall, Kevin; Reaugh, Jack; Levie, Harold; Henson, Bryan; Smilowitz, Laura; Parker, Gary
2015-06-01
We employ simultaneous flash x-ray radiography and streak imaging, together with a multi-phase finite element model, to understand deflagration-to-detonation transition (DDT) phenomena in low-density (~ 1.2 gm/cm3) powder of the explosive cyclotetramethylene-tetranitramine (HMX). HMX powder was lightly hand-tamped in a 12.7 mm diameter column, relatively lightly-confined in an optically-transparent polycarbonate cylinder with wall thickness 25.4 mm. We observe apparent compaction of the powder in advance of the detonation transition, both by x-ray contrast and by the motion of small steel spheres pre-emplaced throughout the length of explosive. High-speed imaging along the explosive cylinder length provides a temporally continuous record of the transition that is correlated with the high-resolution x-ray image record. Preliminary simulation of these experiments with the HERMES model implemented in the ALE3D code enables improved understanding of the explosive particle burning, compaction and detonation phenomena which are implied by the observed reaction rate and transition location within the cylinder. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.
Zhao, Jian; Li, Shui-Xiang
2008-11-01
Variation of packing density in particle deforming from spheres to cubes is studied. A new model is presented to describe particle deformation between different particle shapes. Deformation is simulated by relative motion of component spheres in the sphere assembly model of a particle. Random close packings of particles in deformation form spheres to cubes are simulated with an improved relaxation algorithm. Packings in both 2D and 3D cases are simulated. With the simulations, we find that the packing density increases while the particle sphericity decreases in the deformation. Spheres and cubes give the minimum (0.6404) and maximum (0.7755) of packing density in the deformation respectively. In each deforming step, packings starting from a random configuration and from the final packing of last deforming step are both simulated. The packing density in the latter case is larger than the former in two dimensions, but is smaller in three dimensions. The deformation model can be applied to other particle shapes as well.
Ridley, Moira K.; Hiemstra, Tjisse; van Riemsdijk, Willem H.; Machesky, Michael L.
2009-04-01
Acid-base reactivity and ion-interaction between mineral surfaces and aqueous solutions is most frequently investigated at the macroscopic scale as a function of pH. Experimental data are then rationalized by a variety of surface complexation models. These models are thermodynamically based which in principle does not require a molecular picture. The models are typically calibrated to relatively simple solid-electrolyte solution pairs and may provide poor descriptions of complex multi-component mineral-aqueous solutions, including those found in natural environments. Surface complexation models may be improved by incorporating molecular-scale surface structural information to constrain the modeling efforts. Here, we apply a concise, molecularly-constrained surface complexation model to a diverse suite of surface titration data for rutile and thereby begin to address the complexity of multi-component systems. Primary surface charging curves in NaCl, KCl, and RbCl electrolyte media were fit simultaneously using a charge distribution (CD) and multisite complexation (MUSIC) model [Hiemstra T. and Van Riemsdijk W. H. (1996) A surface structural approach to ion adsorption: the charge distribution (CD) model. J. Colloid Interf. Sci. 179, 488-508], coupled with a Basic Stern layer description of the electric double layer. In addition, data for the specific interaction of Ca 2+ and Sr 2+ with rutile, in NaCl and RbCl media, were modeled. In recent developments, spectroscopy, quantum calculations, and molecular simulations have shown that electrolyte and divalent cations are principally adsorbed in various inner-sphere configurations on the rutile 1 1 0 surface [Zhang Z., Fenter P., Cheng L., Sturchio N. C., Bedzyk M. J., Předota M., Bandura A., Kubicki J., Lvov S. N., Cummings P. T., Chialvo A. A., Ridley M. K., Bénézeth P., Anovitz L., Palmer D. A., Machesky M. L. and Wesolowski D. J. (2004) Ion adsorption at the rutile-water interface: linking molecular and macroscopic
Energy Technology Data Exchange (ETDEWEB)
Ridley, Mora K. [Texas Tech University, Lubbock; Hiemstra, T [Oak Ridge National Laboratory (ORNL); Van Riemsdijk, Willem H. [Wageningen University and Research Centre, The Netherlands; Machesky, Michael L. [Illinois State Water Survey, Champaign, IL
2009-01-01
Acid base reactivity and ion-interaction between mineral surfaces and aqueous solutions is most frequently investigated at the macroscopic scale as a function of pH. Experimental data are then rationalized by a variety of surface complexation models. These models are thermodynamically based which in principle does not require a molecular picture. The models are typically calibrated to relatively simple solid-electrolyte solution pairs and may provide poor descriptions of complex multicomponent mineral aqueous solutions, including those found in natural environments. Surface complexation models may be improved by incorporating molecular-scale surface structural information to constrain the modeling efforts. Here, we apply a concise, molecularly-constrained surface complexation model to a diverse suite of surface titration data for rutile and thereby begin to address the complexity of multi-component systems. Primary surface charging curves in NaCl, KCl, and RbCl electrolyte media were fit simultaneously using a charge distribution (CD) and multisite complexation (MUSIC) model [Hiemstra T. and Van Riemsdijk W. H. (1996) A surface structural approach to ion adsorption: the charge distribution (CD) model. J. Colloid Interf. Sci. 179, 488 508], coupled with a Basic Stern layer description of the electric double layer. In addition, data for the specific interaction of Ca2+ and Sr2+ with rutile, in NaCl and RbCl media, were modeled. In recent developments, spectroscopy, quantum calculations, and molecular simulations have shown that electrolyte and divalent cations are principally adsorbed in various inner-sphere configurations on the rutile 110 surface [Zhang Z., Fenter P., Cheng L., Sturchio N. C., Bedzyk M. J., Pr edota M., Bandura A., Kubicki J., Lvov S. N., Cummings P. T., Chialvo A. A., Ridley M. K., Be ne zeth P., Anovitz L., Palmer D. A., Machesky M. L. and Wesolowski D. J. (2004) Ion adsorption at the rutile water interface: linking molecular and macroscopic
Complex spectrum of spin models for finite-density QCD
Nishimura, Hiromichi; Pangeni, Kamal
2016-01-01
We consider the spectrum of transfer matrix eigenvalues associated with Polyakov loops in lattice QCD at strong coupling. The transfer matrix at finite density is non-Hermitian, and its eigenvalues become complex as a manifestation of the sign problem. We show that the symmetry under charge conjugation and complex conjugation ensures that the eigenvalues are either real or part of a complex conjugate pair, and the complex pairs lead to damped oscillatory behavior in Polyakov loop correlation functions, which also appeared in our previous phenomenological models using complex saddle points. We argue that this effect should be observable in lattice simulations of QCD at finite density.
An exospheric temperature model from CHAMP thermospheric density
Weng, Libin; Lei, Jiuhou; Sutton, Eric; Dou, Xiankang; Fang, Hanxian
2017-02-01
In this study, the effective exospheric temperature, named as T∞, derived from thermospheric densities measured by the CHAMP satellite during 2002-2010 was utilized to develop an exospheric temperature model (ETM) with the aid of the NRLMSISE-00 model. In the ETM, the temperature variations are characterized as a function of latitude, local time, season, and solar and geomagnetic activities. The ETM is validated by the independent GRACE measurements, and it is found that T∞ and thermospheric densities from the ETM are in better agreement with the GRACE data than those from the NRLMSISE-00 model. In addition, the ETM captures well the thermospheric equatorial anomaly feature, seasonal variation, and the hemispheric asymmetry in the thermosphere.
Effect of energetic oxygen atoms on neutral density models.
Rohrbaugh, R. P.; Nisbet, J. S.
1973-01-01
The dissociative recombination of O2(+) and NO(+) in the F region results in the production of atomic oxygen and atomic nitrogen with substantially greater kinetic energy than the ambient atoms. In the exosphere these energetic atoms have long free paths. They can ascend to altitudes of several thousand kilometers and can travel horizontally to distances of the order of the earth's radius. The distribution of energetic oxygen atoms is derived by means of models of the ion and neutral densities for quiet and disturbed solar conditions. A distribution technique is used to study the motion of the atoms in the collision-dominated region. Ballistic trajectories are calculated in the spherical gravitational field of the earth. The present calculations show that the number densities of energetic oxygen atoms predominate over the ambient atomic oxygen densities above 1000 km under quiet solar conditions and above 1600 km under disturbed solar conditions.
ORGANIZATION IN CONTEMPORARY PUBLIC SPHERE
National Research Council Canada - National Science Library
Rosemarie HAINES
2013-01-01
The critical analysis of Habermas’ Public Sphere Theory and the comparative undertaking to the current day enables us to assert that in contemporary society, public sphere is no longer a political public sphere, this dimension being...
Energy Technology Data Exchange (ETDEWEB)
Cho, SeongKyung
2010-09-15
Risk problems occurred by climate change distinguishes itself from other problems in its nature and influence. It is reasonable for ordinary citizens are unable to realize the climate change problems, and great gap exists between potential disaster and perception of the public as a result. These problems must be solved via democratic procedures and processes. Raising probability concerning governance of climate change risks is possible by balance and harmony of political will, apposite policy, and public supports by participation. This research proposes for establishment of realistic public sphere which is a precondition for countermeasure.
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.
Hard sphere dynamics for normal and granular fluids.
Dufty, James W; Baskaran, Aparna
2005-06-01
A fluid of N smooth, hard spheres is considered as a model for normal (elastic collision) and granular (inelastic collision) fluids. The potential energy is discontinuous for hard spheres so that the pairwise forces are singular and the usual forms of Newtonian and Hamiltonian mechanics do not apply. Nevertheless, particle trajectories in the N particle phase space are well defined and the generators for these trajectories can be identified. The first part of this presentation is a review of the generators for the dynamics of observables and probability densities. The new results presented in the second part refer to applications of these generators to the Liouville dynamics for granular fluids. A set of eigenvalues and eigenfunctions of the generator for this Liouville dynamics system is identified in a special stationary representation. This provides a class of exact solutions to the Liouville equation that are closely related to hydrodynamics for granular fluids.
Towards composite spheres as building blocks for structured molecules
Lee, Lloyd L.; Pellicane, Giuseppe
2016-10-01
In order to design a flexible molecular model that mimics the chemical moieties of a polyatomic molecule, we propose the ‘composite-sphere’ model that can assemble the essential elements to produce the structure of the target molecule. This is likened to the polymerization process where monomers assemble to form the polymer. The assemblage is built into the pair interaction potentials which can ‘react’ (figuratively) with selective pieces into various bonds. In addition, we preserve the spherical symmetries of the individual pair potentials so that the isotropic Ornstein-Zernike equation (OZ) for multi-component mixtures can be used as a theoretical framework. We first test our approach on generating a dumbbell molecule. An equimolar binary mixture of hard spheres and square-well spheres are allowed to react to form a dimer. As the bond length shrinks to zero, we create a site-site model of a Janus-like molecule with a repulsive moiety and an attractive moiety. We employ the zero-separation (ZSEP) closure to solve the OZ equations. The structure and thermodynamic properties are calculated at three isotherms and at several densities and the results are compared with Monte Carlo simulations. The close agreement achieved demonstrates that the ZSEP closure is a reliable theory for this composite-sphere fluid model. Contribution to the George Stell Memorial Issue.
Pizio; Trokhymchuk; Henderson; Labik
1997-07-01
A model of hard spheres adsorbed in disordered porous media is studied using the associative replica Ornstein-Zernike (ROZ) equations. Extending previous studies of adsorption in a hard sphere matrices, we investigate a polymerized matrix. We consider an associating fluid of hard spheres with two intracore attractive sites per particle; consequently chains consisting of overlapping hard spheres can be formed due to the chemical association. This is the generalization of the model with sites on the surface of Wertheim that has been studied in the bulk by Chang and Sandler. The matrix structure is obtained in the polymer Percus-Yevick approximation. We solve the ROZ equations in the associative hypernetted chain approximation. The pair distribution functions, the fluid compressibility, the equation of state and chemical potential of the adsorbed fluid are obtained and discussed. It is shown that the adsorption of a hard sphere fluid in a matrix at given density, but consisting of longer chains of overlapping hard spheres, is higher than the adsorption of this fluid in a hard sphere matrix.
TRANSMISSION AND ABSORPTION OF MICROWAVES BY AN INHOMOGENEOUS SPHERE PLASMA
Institute of Scientific and Technical Information of China (English)
SONG Falun; CAO Jinxiang; WANG Ge
2004-01-01
The numerical calculation of the transmission and absorption of microwaves at an arbitrarily incident angle to the inhomogeneous spherically symmetric plasma is presented.The nonuniform sphere is modeled by a series of concentric spherical shells, and the electron density is constant in each shell. The overall density profile follows any given distribution function. By using the geometrical optics approximation and considering the propagation coefficient is complex, as well as the attenuation and phase coefficients are vectors, the detailed evaluation shows that the transmission and absorption of microwaves in the inhomogeneous spherically symmetric plasma depend on the electron and neutral particle collision frequency, central density, incident angle of the microwaves and density distribution profiles.
Molecular dynamics of a dense fluid of polydisperse hard spheres
Sear, Richard P.
2000-01-01
Slow dynamics in a fluid are studied in one of the most basic systems possible: polydisperse hard spheres. Monodisperse hard spheres cannot be studied as the slow down in dynamics as the density is increased is preempted by crystallisation. As the dynamics slow they become more heterogeneous, the spread in the distances traveled by different particles in the same time increases. However, the dynamics appears to be less heterogeneous than in hard-sphere-like colloids at the same volume fractio...
Energy Technology Data Exchange (ETDEWEB)
Shaulov, S.B., E-mail: shaul@sci.lebedev.r [P.N.Lebedev Physical Institute, Russian Academy of Sciences, Leninsky prospect 53, Moscow 119991 (Russian Federation); Besshapov, S.P.; Kabanova, N.V.; Sysoeva, T.I. [P.N.Lebedev Physical Institute, Russian Academy of Sciences, Leninsky prospect 53, Moscow 119991 (Russian Federation); Antonov, R.A.; Anyuhina, A.M.; Bronvech, E.A.; Chernov, D.V.; Galkin, V.I. [Skobeltsyn Institute of Nuclear Physics, Lomonosov State University, Moscow 119992 (Russian Federation); Tkaczyk, W. [Department of Experimental Physics of University of Lodz (Poland); Finger, M. [Karlov University, Prague (Czech Republic); Sonsky, M. [COMPAS Consortium, Turnov (Czech Republic)
2009-12-15
The expedition carried out in March, 2008 to Lake Baikal became an important stage in the development of the SPHERE experiment. During the expedition the SPHERE-2 installation was hoisted, for the first time, on a tethered balloon, APA, to a height of 700 m over the lake surface covered with ice and snow. A series of test measurements were made. Preliminary results of the data processing are presented. The next plan of the SPHERE experiment is to begin a set of statistics for constructing the CR spectrum in the energy range 10{sup 16}-10{sup 18} eV.
The pasta phase within density dependent hadronic models
Avancini, S S; Marinelli, J R; Peres-Menezes, D; Watanabe de Moraes, M M; Providência, C; Santos, A M
2008-01-01
In the present paper we investigate the onset of the pasta phase with different parametrisations of the density dependent hadronic model and compare the results with one of the usual parametrisation of the non-linear Walecka model. The influence of the scalar-isovector virtual delta meson is shown. At zero temperature two different methods are used, one based on coexistent phases and the other on the Thomas-Fermi approximation. At finite temperature only the coexistence phases method is used. npe matter with fixed proton fractions and in beta-equilibrium are studied. We compare our results with restrictions imposed on the the values of the density and pressure at the inner edge of the crust, obtained from observations of the Vela pulsar and recent isospin diffusion data from heavy-ion reactions, and with predictions from spinodal calculations.
Improved forecasting of thermospheric densities using multi-model ensembles
Elvidge, Sean; Godinez, Humberto C.; Angling, Matthew J.
2016-07-01
This paper presents the first known application of multi-model ensembles to the forecasting of the thermosphere. A multi-model ensemble (MME) is a method for combining different, independent models. The main advantage of using an MME is to reduce the effect of model errors and bias, since it is expected that the model errors will, at least partly, cancel. The MME, with its reduced uncertainties, can then be used as the initial conditions in a physics-based thermosphere model for forecasting. This should increase the forecast skill since a reduction in the errors of the initial conditions of a model generally increases model skill. In this paper the Thermosphere-Ionosphere Electrodynamic General Circulation Model (TIE-GCM), the US Naval Research Laboratory Mass Spectrometer and Incoherent Scatter radar Exosphere 2000 (NRLMSISE-00), and Global Ionosphere-Thermosphere Model (GITM) have been used to construct the MME. As well as comparisons between the MMEs and the "standard" runs of the model, the MME densities have been propagated forward in time using the TIE-GCM. It is shown that thermospheric forecasts of up to 6 h, using the MME, have a reduction in the root mean square error of greater than 60 %. The paper also highlights differences in model performance between times of solar minimum and maximum.
Friedberg-Lee model at finite temperature and density
Mao, Hong; Yao, Minjie; Zhao, Wei-Qin
2008-06-01
The Friedberg-Lee model is studied at finite temperature and density. By using the finite temperature field theory, the effective potential of the Friedberg-Lee model and the bag constant B(T) and B(T,μ) have been calculated at different temperatures and densities. It is shown that there is a critical temperature TC≃106.6 MeV when μ=0 MeV and a critical chemical potential μ≃223.1 MeV for fixing the temperature at T=50 MeV. We also calculate the soliton solutions of the Friedberg-Lee model at finite temperature and density. It turns out that when T⩽TC (or μ⩽μC), there is a bag constant B(T) [or B(T,μ)] and the soliton solutions are stable. However, when T>TC (or μ>μC) the bag constant B(T)=0 MeV [or B(T,μ)=0 MeV] and there is no soliton solution anymore, therefore, the confinement of quarks disappears quickly.
The Friedberg-Lee model at finite temperature and density
Mao, Hong; Zhao, Wei-Qin
2007-01-01
The Friedberg-Lee model is studied at finite temperature and density. By using the finite temperature field theory, the effective potential of the Friedberg-Lee model and the bag constant $B(T)$ and $B(T,\\mu)$ have been calculated at different temperatures and densities. It is shown that there is a critical temperature $T_{C}\\simeq 106.6 \\mathrm{MeV}$ when $\\mu=0 \\mathrm{MeV}$ and a critical chemical potential $\\mu \\simeq 223.1 \\mathrm{MeV}$ for fixing the temperature at $T=50 \\mathrm{MeV}$. We also calculate the soliton solutions of the Friedberg-Lee model at finite temperature and density. It turns out that when $T\\leq T_{C}$ (or $\\mu \\leq \\mu_C$), there is a bag constant $B(T)$ (or $B(T,\\mu)$) and the soliton solutions are stable. However, when $T>T_{C}$ (or $\\mu>\\mu_C$) the bag constant $B(T)=0 \\mathrm{MeV}$ (or $B(T,\\mu)=0 \\mathrm{MeV}$) and there is no soliton solution anymore, therefore, the confinement of quarks disappears quickly.
Robinson, Orin J.; McGowan, Conor; Devers, Patrick K.
2017-01-01
Density dependence regulates populations of many species across all taxonomic groups. Understanding density dependence is vital for predicting the effects of climate, habitat loss and/or management actions on wild populations. Migratory species likely experience seasonal changes in the relative influence of density dependence on population processes such as survival and recruitment throughout the annual cycle. These effects must be accounted for when characterizing migratory populations via population models.To evaluate effects of density on seasonal survival and recruitment of a migratory species, we used an existing full annual cycle model framework for American black ducks Anas rubripes, and tested different density effects (including no effects) on survival and recruitment. We then used a Bayesian model weight updating routine to determine which population model best fit observed breeding population survey data between 1990 and 2014.The models that best fit the survey data suggested that survival and recruitment were affected by density dependence and that density effects were stronger on adult survival during the breeding season than during the non-breeding season.Analysis also suggests that regulation of survival and recruitment by density varied over time. Our results showed that different characterizations of density regulations changed every 8–12 years (three times in the 25-year period) for our population.Synthesis and applications. Using a full annual cycle, modelling framework and model weighting routine will be helpful in evaluating density dependence for migratory species in both the short and long term. We used this method to disentangle the seasonal effects of density on the continental American black duck population which will allow managers to better evaluate the effects of habitat loss and potential habitat management actions throughout the annual cycle. The method here may allow researchers to hone in on the proper form and/or strength of
The velocity-density relation in the spherical model
Bilicki, Maciej
2008-01-01
We study the cosmic velocity-density relation using the spherical collapse model (SCM) as a proxy to non-linear dynamics. Although the dependence of this relation on cosmological parameters is known to be weak, we retain the density parameter Omega_m in SCM equations, in order to study the limit Omega_m -> 0. We show that in this regime the considered relation is strictly linear, for arbitrary values of the density contrast, on the contrary to some claims in the literature. On the other hand, we confirm that for realistic values of Omega_m the exact relation in the SCM is well approximated by the classic formula of Bernardeau (1992), both for voids (delta<0) and for overdensities up to delta ~ 3. Inspired by this fact, we find further analytic approximations to the relation for the whole range delta from -1 to infinity. Our formula for voids accounts for the weak Omega_m-dependence of their maximal rate of expansion, which for Omega_m < 1 is slightly smaller that 3/2. For positive density contrasts, we ...
Clustering and gelation of hard spheres induced by the Pickering effect
Fortini, Andrea
2012-04-01
A mixture of hard-sphere particles and model emulsion droplets is studied with a Brownian dynamics simulation. We find that the addition of nonwetting emulsion droplets to a suspension of pure hard spheres can lead to both gas-liquid and fluid-solid phase separations. Furthermore, we find a stable fluid of hard-sphere clusters. The stability is due to the saturation of the attraction that occurs when the surface of the droplets is completely covered with colloidal particles. At larger emulsion droplet densities a percolation transition is observed. The resulting networks of colloidal particles show dynamical and mechanical properties typical of a colloidal gel. The results of the model are in good qualitative agreement with recent experimental findings [E. Koos and N. Willenbacher, ScienceSCIEAS0036-807510.1126/science.1199243 331, 897 (2011)] in a mixture of colloidal particles and two immiscible fluids.
Phase equilibria in polydisperse nonadditive hard-sphere systems.
Paricaud, Patrice
2008-08-01
Colloidal particles naturally exhibit a size polydispersity that can greatly influence their phase behavior in solution. Nonadditive hard-sphere (NAHS) mixtures are simple and well-suited model systems to represent phase transitions in colloid systems. Here, we propose an analytical equation of state (EOS) for NAHS fluid mixtures, which can be straightforwardly applied to polydisperse systems. For positive values of the nonadditivity parameter Delta the model gives accurate predictions of the simulated fluid-fluid coexistence curves and compressibility factors. NPT Monte Carlo simulations of the mixing properties of the NAHS symmetric binary mixture with Delta>0 are reported. It is shown that the enthalpy of mixing is largely positive and overcomes the positive entropy of mixing when the pressure is increased, leading to a fluid-fluid phase transition with a lower critical solution pressure. Phase equilibria in polydisperse systems are predicted with the model by using the density moment formalism [P. Sollich, Adv. Chem. Phys. 116, 265 (2001)]. We present predictions of the cloud and shadow curves for polydisperse NAHS systems composed of monodisperse spheres and polydisperse colloid particles. A fixed nonadditivity parameter Delta > 0 is assumed between the monodisperse and polydisperse spheres, and a Schulz distribution is used to represent the size polydispersity. Polydispersity is found to increase the extent of the immiscibility region. The predicted cloud and shadow curves depend dramatically on the upper cutoff diameter sigmac of the Schulz distribution, and three-phase equilibria can occur for large values of sigmac.
Energy Technology Data Exchange (ETDEWEB)
Lin Li [State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China); Lin Weiqi [State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China); Jiang Jianhui [State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China); Zhou Yanping [State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China); Shen Guoli [State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China); Yu Ruqin [State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China)]. E-mail: rqyu@hnu.cn
2005-11-03
In the present work, we employed piecewise hyper-sphere modeling by particle swarm optimization (PHMPSO) which splits the dataset into subsets with desired linearity in each model for QSAR studies of a series of 2-aryl(heteroaryl)-2,5-dihydropyrazolo[4,3-c]quinolin-3-(3H)-ones (PQs) for their affinity to benzodiazepine receptor (BzR). The results were compared to those obtained by MLR modeling in a single model with the whole data set as well as in submodels based on K-means clustering analysis. It has been clearly shown that electronic descriptors and spatial descriptors play the important roles in the compounds' affinity to BzR. In addition, the molecular density, the Y component of the principal moment of inertia, the magnitude and the Y component of the dipole moment of the molecules can detrimentally affect PQ analogue BzR affinity, while the X component of the dipole moment of the molecules can favorably affect compounds' affinity.
Ishizaka, Masaaki; Motoyoshi, Hiroki; Yamaguchi, Satoru; Nakai, Sento; Shiina, Toru; Muramoto, Ken-ichiro
2016-11-01
The initial density of deposited snow is mainly controlled by snowfall hydrometeors. The relationship between snowfall density and hydrometeors has been qualitatively examined by previous researchers; however, a quantitative relationship has not yet been established due to difficulty in parameterizing the hydrometeor characteristics of a snowfall event. Thus, in an earlier study, we developed a new variable, the centre of mass flux distribution (CMF), which we used to describe the main hydrometeors contributing to a snowfall event. The CMF is based on average size and fall speed weighted by the mass flux estimated from all measured hydrometeors in a snowfall event. It provides a quantitative representation of the predominant hydrometeor characteristics of the event. In this study, we examine the relationships between the density of newly fallen snow and predominant snow type as indicated by the CMFs. We measured snowfall density at Nagaoka, Japan, where riming and aggregation are predominant, simultaneously observing the size and fall speed of snowfall hydrometeors, and deduced the predominant hydrometeor characteristics of each snowfall event from their CMFs. Snow density measurements were carried out for short periods, 1 or 2 h, during which the densification of the deposited snow was negligible. Also, we grouped snowfall events based on similar hydrometeor characteristics. As a result, we were able to obtain not only the qualitative relationships between the main types of snow and snowfall density as reported by previous researchers, but also quantitative relationships between snowfall density and the CMF density introduced here. CMF density is defined as the ratio between mass and volume, assuming the diameter of a sphere is equal to the CMF size component. This quantitative relationship provides a means for more precise estimation of snowfall density based on snow type (hydrometeor characteristics), by using hydrometeor size and fall speed data to derive
Minguzzi, E.
2016-11-01
We investigate spacetimes whose light cones could be anisotropic. We prove the equivalence of the structures: (a) Lorentz-Finsler manifold for which the mean Cartan torsion vanishes, (b) Lorentz-Finsler manifold for which the indicatrix (observer space) at each point is a convex hyperbolic affine sphere centered on the zero section, and (c) pair given by a spacetime volume and a sharp convex cone distribution. The equivalence suggests to describe (affine sphere) spacetimes with this structure, so that no algebraic-metrical concept enters the definition. As a result, this work shows how the metric features of spacetime emerge from elementary concepts such as measure and order. Non-relativistic spacetimes are obtained replacing proper spheres with improper spheres, so the distinction does not call for group theoretical elements. In physical terms, in affine sphere spacetimes the light cone distribution and the spacetime measure determine the motion of massive and massless particles (hence the dispersion relation). Furthermore, it is shown that, more generally, for Lorentz-Finsler theories non-differentiable at the cone, the lightlike geodesics and the transport of the particle momentum over them are well defined, though the curve parametrization could be undefined. Causality theory is also well behaved. Several results for affine sphere spacetimes are presented. Some results in Finsler geometry, for instance in the characterization of Randers spaces, are also included.
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.
Directory of Open Access Journals (Sweden)
N.V. Zaitseva
2017-06-01
Full Text Available We present scientific-methodological approaches to defining risk categories of economic entities which are subject to surveillance in the sphere of consumer rights protection. Risk is suggested to be assessed as a product of violations frequency comprising violations of separate provisions of the law on consumer rights protection detected in the course of scheduled and unscheduled inspections; a number of claims per one detected violation which were satisfied by courts in favor of consumers; each separate case of harm accepted by court in money terms (as a sum of physical and moral damage to health and damage to property; and coefficient of a potential impact scope which differentiates risks for economic entities belonging to micro-, small, medium-sized and large business. Our information sources are official statistic data obtained due to realization of state control in the sphere of consumer rights protection and court practice collected in all the RF regions over 2012–2016. It is shown that a share of economic entities with extremely high risk potential which can cause total material damage to consumers in sums greater than 10 million rubles per year amounts to about 0.15 % of the total number of economic entities (both juridical persons and private entrepreneurs; economic entities with high risk potential account for about 2 %. Such groups are made of companies involved in financial markets, share construction services, insurance and tourism. About 23 % of juridical persons and private entrepreneurs can be classified as having low risk potential and they can be excluded from scheduled inspections. Economic entities structure in general corresponds to world practices. It is shown that risk-oriented surveillance model development requires improvements in keeping registers of juridical persons and private entrepreneurs as such registers should contain comprehensive information; it is necessary for correct risk category (or hazard category
Vortices in gauge models at finite density with vector condensates
Gorbar, E V; Miransky, V A; Jia, Junji
2006-01-01
There exists a class of gauge models incorporating a finite density of matter in which the Higgs mechanism is provided by condensates of gauge (or gauge and scalar) fields, i.e., there are vector condensates in this case. We describe vortex solutions in the simplest model in this class, the gauged $SU(2)\\times U(1)_Y$ $\\sigma$-model with the chemical potential for hypercharge $Y$, in which the gauge symmetry is completely broken. It is shown that there are three types of topologically stable vortices in the model, connected either with photon field or hypercharge gauge field, or with both of them. Explicit vortex solutions are numerically found and their energy per unit length are calculated. The relevance of these solutions for the gluonic phase in the dense two-flavor QCD is discussed.
Depletion potential in colloidal mixtures of hard spheres and platelets.
Harnau, L; Dietrich, S
2004-05-01
The depletion potential between two hard spheres in a solvent of thin hard disclike platelets is investigated by using either the Derjaguin approximation or density functional theory. Particular attention is paid to the density dependence of the depletion potential. A second-order virial approximation is applied, which yields nearly exact results for the bulk properties of the hard-platelet fluid at densities two times smaller than the density of the isotropic fluid at isotropic-nematic phase coexistence. As the platelet density increases, the attractive primary minimum of the depletion potential deepens and an additional small repulsive barrier at larger sphere separations develops. Upon decreasing the ratio of the radius of the spheres and the platelets, the primary minimum diminishes and the position of the small repulsive barrier shifts to smaller values of the sphere separation.
Energy Technology Data Exchange (ETDEWEB)
Polly, R.; Schimmelpfennig, B.; Rabung, T.; Kupcik, T.; Klenze, R.; Geckeis, H. [Karlsruher Institut fuer Technologie (KIT), Karlsruhe (Germany). Inst. fuer Nukleare Entsorgung (INE); Floersheimer, M. [Hochschule RheinMain, Ruesselsheim (Germany). Fachbereich Ingenieurwissenschaften
2013-11-01
Sorption plays a major role in the safety assessment of nuclear waste disposal. In the present theoretical study we focused on understanding the interaction of trivalent lanthanides and actinides (La{sup 3+}, Eu{sup 3+} and Cm{sup 3+}) with the corundum (110) surface. Optimization of the structures were carried out using density functional theory with different basis sets. Additionally, Moeller-Plesset perturbation theory of second order was used for single point energy calculations. We studied the structure of different inner-sphere complexes depending on the surface deprotonation and the number of water molecules in the first coordination shell. The most likely structure of the inner-sphere complex (tri- or tetradentate) was predicted. For the calculations we used a cluster model for the surface. By deprotonating the cluster a chemical environment at elevated pH values was mimicked. Our calculations predict the highest stability for a tetradentate inner-sphere surface complexes with five water molecules remaining in the first coordination sphere of the metal ions. The formation of the inner-sphere complexes is favored when a coordination takes place with at most one deprotonated surface aluminol group located beneath the inner-sphere complex. The mutual interaction between sorbing metal ions at the surface is studied as well. The minimal possible distance between two inner-sphere sorbed metal ions at the surface was determined to be 530 pm. (orig.)
Nonequilibrium Anderson model made simple with density functional theory
Kurth, S.; Stefanucci, G.
2016-12-01
The single-impurity Anderson model is studied within the i-DFT framework, a recently proposed extension of density functional theory (DFT) for the description of electron transport in the steady state. i-DFT is designed to give both the steady current and density at the impurity, and it requires the knowledge of the exchange-correlation (xc) bias and on-site potential (gate). In this work we construct an approximation for both quantities which is accurate in a wide range of temperatures, gates, and biases, thus providing a simple and unifying framework to calculate the differential conductance at negligible computational cost in different regimes. Our results mark a substantial advance for DFT and may inform the construction of functionals applicable to other correlated systems.
Dynamic density functional theory of solid tumor growth: Preliminary models
Directory of Open Access Journals (Sweden)
Arnaud Chauviere
2012-03-01
Full Text Available Cancer is a disease that can be seen as a complex system whose dynamics and growth result from nonlinear processes coupled across wide ranges of spatio-temporal scales. The current mathematical modeling literature addresses issues at various scales but the development of theoretical methodologies capable of bridging gaps across scales needs further study. We present a new theoretical framework based on Dynamic Density Functional Theory (DDFT extended, for the first time, to the dynamics of living tissues by accounting for cell density correlations, different cell types, phenotypes and cell birth/death processes, in order to provide a biophysically consistent description of processes across the scales. We present an application of this approach to tumor growth.
Anomalous Sinking of Spheres due to Local Fluidization of Apparently Fixed Powder Beds.
Oshitani, Jun; Sasaki, Toshiki; Tsuji, Takuya; Higashida, Kyohei; Chan, Derek Y C
2016-02-12
The sinking of an intruder sphere into a powder bed in the apparently fixed bed regime exhibits complex behavior in the sinking rate and the final depth when the sphere density is close to the powder bed density. Evidence is adduced that the intruder sphere locally fluidizes the apparently fixed powder bed, allowing the formation of voids and percolation bubbles that facilitates spheres to sink slower but deeper than expected. By adjusting the air injection rate and the sphere-to-powder bed density ratio, this phenomenon provides the basis of a sensitive large particle separation mechanism.
Anomalous Sinking of Spheres due to Local Fluidization of Apparently Fixed Powder Beds
Oshitani, Jun; Sasaki, Toshiki; Tsuji, Takuya; Higashida, Kyohei; Chan, Derek Y. C.
2016-02-01
The sinking of an intruder sphere into a powder bed in the apparently fixed bed regime exhibits complex behavior in the sinking rate and the final depth when the sphere density is close to the powder bed density. Evidence is adduced that the intruder sphere locally fluidizes the apparently fixed powder bed, allowing the formation of voids and percolation bubbles that facilitates spheres to sink slower but deeper than expected. By adjusting the air injection rate and the sphere-to-powder bed density ratio, this phenomenon provides the basis of a sensitive large particle separation mechanism.
Schulman, Richard; Kirk, Daniel; Marsell, Brandon; Roth, Jacob; Schallhorn, Paul
2013-01-01
The SPHERES Slosh Experiment (SSE) is a free floating experimental platform developed for the acquisition of long duration liquid slosh data aboard the International Space Station (ISS). The data sets collected will be used to benchmark numerical models to aid in the design of rocket and spacecraft propulsion systems. Utilizing two SPHERES Satellites, the experiment will be moved through different maneuvers designed to induce liquid slosh in the experiment's internal tank. The SSE has a total of twenty-four thrusters to move the experiment. In order to design slosh generating maneuvers, a parametric study with three maneuvers types was conducted using the General Moving Object (GMO) model in Flow-30. The three types of maneuvers are a translation maneuver, a rotation maneuver and a combined rotation translation maneuver. The effectiveness of each maneuver to generate slosh is determined by the deviation of the experiment's trajectory as compared to a dry mass trajectory. To fully capture the effect of liquid re-distribution on experiment trajectory, each thruster is modeled as an independent force point in the Flow-3D simulation. This is accomplished by modifying the total number of independent forces in the GMO model from the standard five to twenty-four. Results demonstrate that the most effective slosh generating maneuvers for all motions occurs when SSE thrusters are producing the highest changes in SSE acceleration. The results also demonstrate that several centimeters of trajectory deviation between the dry and slosh cases occur during the maneuvers; while these deviations seem small, they are measureable by SSE instrumentation.
Strongly interacting matter at high densities with a soliton model
Johnson, Charles Webster
1998-12-01
One of the major goals of modern nuclear physics is to explore the phase diagram of strongly interacting matter. The study of these 'extreme' conditions is the primary motivation for the construction of the Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Laboratory which will accelerate nuclei to a center of mass (c.m.) energy of about 200 GeV/nucleon. From a theoretical perspective, a test of quantum chromodynamics (QCD) requires the expansion of the conditions examined from one phase point to the entire phase diagram of strongly-interacting matter. In the present work we focus attention on what happens when the density is increased, at low excitation energies. Experimental results from the Brookhaven Alternating Gradient Synchrotron (AGS) indicate that this regime may be tested in the 'full stopping' (maximum energy deposition) scenario achieved at the AGS having a c.m. collision energy of about 2.5 GeV/nucleon for two equal- mass heavy nuclei. Since the solution of QCD on nuclear length-scales is computationally prohibitive even on today's most powerful computers, progress in the theoretical description of high densities has come through the application of models incorporating some of the essential features of the full theory. The simplest such model is the MIT bag model. We use a significantly more sophisticated model, a nonlocal confining soliton model developed in part at Kent. This model has proven its value in the calculation of the properties of individual mesons and nucleons. In the present application, the many-soliton problem is addressed with the same model. We describe nuclear matter as a lattice of solitons and apply the Wigner-Seitz approximation to the lattice. This means that we consider spherical cells with one soliton centered in each, corresponding to the average properties of the lattice. The average density is then varied by changing the size of the Wigner-Seitz cell. To arrive at a solution, we need to solve a coupled set of
Mahdavi, Seyed Mohamad; Neyshabouri, Mohammad Reza; Fujimaki, Haruyuki
2016-08-01
Simulation of heat transfer in soil under steady and unsteady situations requires reliable estimate of soil thermal conductivity (λ) at varying environmental conditions. In the current work several soil thermal conductivity predicting models including I) de Vries, II) Campbell, III) combined de Vries and Campbell and IV) de Vries-Nobre were evaluated for the four soils of coarse sand, sandy loam, loam and clay loam textured at varying in temperature and bulk density at low moisture range. Thermal conductivities measured by the cylindrical probe method served as the reference for models assessment. Results showed that approximately same thermal conductivities obtained by the five methods at low moisture range (θ ≤ 0.05 m3/m3). Also the de Vries and de Vries-Campbell models produced accurate than Campbell and de vries-Nobre models. The accuracy of the two models increased with soil compaction but decreased with temperature rise. Campbell model showed more reliability at higher (311.16 and 321.16 K) temperatures; but its accuracy declined with soil compaction in current work. It seems that assuming needle shape for the soil particles is far away from the reality whereas assuming spherical shapes may be more realistic and produced more satisfactory prediction of thermal conductivity. The compaction would alter particle arrangement and may increase the contact area of particles; and then make them behave more or less spherical shape.it seems thermal conductivity in solid particles increase via increasing in temperature. Since a modified mineral shape factor, g m , was developed as a combination between sphere and needle according to geometric mean particle diameter as well as bulk density and temperature as modifying factors. This factor increased the accuracy of de Vries-Nobre model up to 10.37%. Regarding nonlinear regression model, moisture content, bulk density, temperature and quartz content demonstrated significant effect on soil thermal conductivity in our
A gravitational test of wave reinforcement versus fluid density models
Johnson, Jacqueline Umstead
1990-10-01
Spermatozoa, protozoa, and algae form macroscopic patterns somewhat analogous to thermally driven convection cells. These bioconvective patterns have attracted interest in the fluid dynamics community, but whether in all cases these waves were gravity driven was unknown. There are two conflicting theories, one gravity dependent (fluid density model), the other gravity independent (wave reinforcement theory). The primary objectives of the summer faculty fellows were to: (1) assist in sample collection (spermatozoa) and preparation for the KC-135 research airplane experiment; and (2) to collaborate on ground testing of bioconvective variables such as motility, concentration, morphology, etc., in relation to their macroscopic patterns. Results are very briefly given.
A unified model of density limit in fusion plasmas
Zanca, P; Escande, D F; Pucella, G; Tudisco, O
2016-01-01
A limit for the edge density, ruled by radiation losses from light impurities, is established by a minimal cylindrical magneto-thermal equilibrium model. For ohmic tokamak and reversed field pinch the limit scales linearly with the plasma current, as the empirical Greenwald limit. The auxiliary heating adds a further dependence, scaling with the 0.4 power, in agreement with L-mode tokamak experiments. For a purely externally heated configuration the limit takes on a Sudo-like form, depending mainly on the input power, and is compatible with recent Stellarator scalings.
Experimental assessment of presumed filtered density function models
Stetsyuk, V.; Soulopoulos, N.; Hardalupas, Y.; Taylor, A. M. K. P.
2015-06-01
Measured filtered density functions (FDFs) as well as assumed beta distribution model of mixture fraction and "subgrid" scale (SGS) scalar variance z '' 2 ¯ , used typically in large eddy simulations, were studied by analysing experimental data, obtained from two-dimensional planar, laser induced fluorescence measurements in isothermal swirling turbulent flows at a constant Reynolds number of 29 000 for different swirl numbers (0.3, 0.58, and 1.07). Two-dimensional spatial filtering, by using a box filter, was performed in order to obtain the filtered variables, namely, resolved mean and "subgrid" scale scalar variance. These were used as inputs for assumed beta distribution of mixture fraction and top-hat FDF shape estimates. The presumed beta distribution model, top-hat FDF, and the measured filtered density functions were used to integrate a laminar flamelet solution in order to calculate the corresponding resolved temperature. The experimentally measured FDFs varied with the flow swirl number and both axial and radial positions in the flow. The FDFs were unimodal at flow regions with low SGS scalar variance, z '' 2 ¯ 0.02. Bimodal FDF could be observed for a filter size of approximately 1.5-2 times the Batchelor scale. Unimodal FDF could be observed for a filter size as large as four times the Batchelor scale under well-mixed conditions. In addition, two common computational models (a gradient assumption and a scale similarity model) for the SGS scalar variance were used with the aim to evaluate their validity through comparison with the experimental data. It was found that the gradient assumption model performed generally better than the scale similarity one.
Models of asthma: density-equalizing mapping and output benchmarking
Directory of Open Access Journals (Sweden)
Fischer Tanja C
2008-02-01
Full Text Available Abstract Despite the large amount of experimental studies already conducted on bronchial asthma, further insights into the molecular basics of the disease are required to establish new therapeutic approaches. As a basis for this research different animal models of asthma have been developed in the past years. However, precise bibliometric data on the use of different models do not exist so far. Therefore the present study was conducted to establish a data base of the existing experimental approaches. Density-equalizing algorithms were used and data was retrieved from a Thomson Institute for Scientific Information database. During the period from 1900 to 2006 a number of 3489 filed items were connected to animal models of asthma, the first being published in the year 1968. The studies were published by 52 countries with the US, Japan and the UK being the most productive suppliers, participating in 55.8% of all published items. Analyzing the average citation per item as an indicator for research quality Switzerland ranked first (30.54/item and New Zealand ranked second for countries with more than 10 published studies. The 10 most productive journals included 4 with a main focus allergy and immunology and 4 with a main focus on the respiratory system. Two journals focussed on pharmacology or pharmacy. In all assigned subject categories examined for a relation to animal models of asthma, immunology ranked first. Assessing numbers of published items in relation to animal species it was found that mice were the preferred species followed by guinea pigs. In summary it can be concluded from density-equalizing calculations that the use of animal models of asthma is restricted to a relatively small number of countries. There are also differences in the use of species. These differences are based on variations in the research focus as assessed by subject category analysis.
Watanabe, Hiroshi; Yukawa, Satoshi; Novotny, M A; Ito, Nobuyasu
2006-08-01
We construct asymptotic arguments for the relative efficiency of rejection-free Monte Carlo (MC) methods compared to the standard MC method. We find that the efficiency is proportional to exp(constbeta) in the Ising, sqrt[beta] in the classical XY, and beta in the classical Heisenberg spin systems with inverse temperature beta, regardless of the dimension. The efficiency in hard particle systems is also obtained, and found to be proportional to (rho(cp)-rho)(-d) with the closest packing density rho(cp), density rho, and dimension d of the systems. We construct and implement a rejection-free Monte Carlo method for the hard-disk system. The RFMC has a greater computational efficiency at high densities, and the density dependence of the efficiency is as predicted by our arguments.
Raman fingerprints on the Bloch sphere of a spinor Bose-Einstein condensate
Schultz, Justin T.; Hansen, Azure; Murphree, Joseph D.; Jayaseelan, Maitreyi; Bigelow, Nicholas P.
2016-10-01
We explore the geometric interpretation of a diabatic, two-photon Raman process as a rotation on the Bloch sphere for a pseudo-spin-? system. The spin state of a spin-? quantum system can be described by a point on the surface of the Bloch sphere, and its evolution during a Raman pulse is a trajectory on the sphere determined by properties of the optical beams: the pulse area, the relative intensities and phases and the relative frequencies. We experimentally demonstrate key features of this model with a ?Rb spinor Bose-Einstein condensate, which allows us to examine spatially dependent signatures of the Raman beams. The two-photon detuning allows us to precisely control the spin density and imprinted relative phase profiles, as we show with a coreless vortex. With this comprehensive understanding and intuitive geometric interpretation, we use the Raman process to create and tailor as well as study and characterize exotic topological spin textures in spinor BECs.
Acoustic levitation of a large solid sphere
Energy Technology Data Exchange (ETDEWEB)
Andrade, Marco A. B., E-mail: marcobrizzotti@gmail.com [Institute of Physics, University of São Paulo, São Paulo 05508-090 (Brazil); Bernassau, Anne L. [School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom); Adamowski, Julio C. [Department of Mechatronics and Mechanical Systems Engineering, Escola Politécnica, University of São Paulo, São Paulo 05508-030 (Brazil)
2016-07-25
We demonstrate that acoustic levitation can levitate spherical objects much larger than the acoustic wavelength in air. The acoustic levitation of an expanded polystyrene sphere of 50 mm in diameter, corresponding to 3.6 times the wavelength, is achieved by using three 25 kHz ultrasonic transducers arranged in a tripod fashion. In this configuration, a standing wave is created between the transducers and the sphere. The axial acoustic radiation force generated by each transducer on the sphere was modeled numerically as a function of the distance between the sphere and the transducer. The theoretical acoustic radiation force was verified experimentally in a setup consisting of an electronic scale and an ultrasonic transducer mounted on a motorized linear stage. The comparison between the numerical and experimental acoustic radiation forces presents a good agreement.
Acoustic levitation of a large solid sphere
Andrade, Marco A. B.; Bernassau, Anne L.; Adamowski, Julio C.
2016-07-01
We demonstrate that acoustic levitation can levitate spherical objects much larger than the acoustic wavelength in air. The acoustic levitation of an expanded polystyrene sphere of 50 mm in diameter, corresponding to 3.6 times the wavelength, is achieved by using three 25 kHz ultrasonic transducers arranged in a tripod fashion. In this configuration, a standing wave is created between the transducers and the sphere. The axial acoustic radiation force generated by each transducer on the sphere was modeled numerically as a function of the distance between the sphere and the transducer. The theoretical acoustic radiation force was verified experimentally in a setup consisting of an electronic scale and an ultrasonic transducer mounted on a motorized linear stage. The comparison between the numerical and experimental acoustic radiation forces presents a good agreement.
Soltanbeigi, Behzad; Podlozhnyuk, Alexander; Ooi, Jin Y.; Kloss, Christoph; Papanicolopulos, Stefanos-Aldo
2017-06-01
In the current study, complex-shaped particles are simulated with the Discrete Element Method (DEM) using two different approaches, namely Multi-spheres (MS) and Superquadrics (SQ). Both methods have been used by researchers to represent the shape of real particles. However, despite the growing popularity of utilizing MS and SQ particles in DEM simulations, few insights have been given on the comparison of the macro scale characteristics arising from the two methods. In this respect, initially the characteristics of the two shape representation methods are evaluated in a direct shear test simulation. The results suggest that controlling the sharpness of the edges for SQ particles can lead to a good agreement with the results of MS particles. This way, a set of SQ and MS particles, which are numerically calibrated in the shear tester, are obtained. Furthermore, the macro-scale responses of the numerically calibrated particles are assessed during a slow shearing scenario, which is achieved through simulating quasi-static flow of the particles from a flat-bottom silo. The results for mass discharge, flow profile and wall pressure show a good quantitative agreement. These findings suggest that the numerically calibrated MS and SQ particles in the shear tester can provide similar bulk-scale flow properties. Moreover, the results highlight that surface bumpiness for MS particles and corner sharpness for SQ particles change the characteristics of particles and play a significant role in the shear strength of the material composed of these particles.
Mimicking static anisotropic fluid spheres in general relativity
Boonserm, Petarpa; Ngampitipan, Tritos; Visser, Matt
2016-11-01
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.
A Langevin model for low density pedestrian dynamics
Corbetta, Alessandro; Lee, Chung-Min; Benzi, Roberto; Muntean, Adrian; Toschi, Federico
The dynamics of pedestrian crowds shares deep connections with statistical physics and fluid dynamics. Reaching a quantitative understanding, not only of the average behaviours but also of the statistics of (rare) fluctuations would have major impact, for instance, on the design and safety of civil infrastructures. A key feature of pedestrian dynamics is its strong intrinsic variability, that we can already observe at the single individual level. In this work we aim at a quantitative characterisation of this statistical variability by studying individual fluctuations. We consider experimental observations of low-density pedestrian flows in a corridor within a building at Eindhoven University of Technology. Few hundreds of thousands of pedestrian trajectories with high space and time resolutions have been collected via a Microsoft Kinect 3D-range sensor and automatic head tracking techniques. From these observations we model pedestrians as active Brownian particles by means of a generalised Langevin equation. With this model we can quantitatively reproduce the observed dynamics including the statistics of ordinary pedestrian fluctuations and of rarer U-turn events. Low density, pair-wise interactions between pedestrians are also discussed.
Modeling the Void H I Column Density Spectrum
Manning, C V
2003-01-01
The equivalent width distribution function (EWDF) of \\hone absorbers specific to the void environment has been recently derived (Manning 2002), revealing a large line density of clouds (dN/dz ~500 per unit z for Log (N_HI)> 12.4). I show that the void absorbers cannot be diffuse (or so-called filamentary) clouds, expanding with the Hubble flow, as suggested by N-body/hydro simulations. Absorbers are here modeled as the baryonic remnants of sub-galactic perturbations that have expanded away from their dark halos in response to reionization at z ~ 6.5. A 1-D Lagrangian hydro/gravity code is used to follow the dynamic evolution and ionization structure of the baryonic clouds for a range of halo circular velocities. The simulation products at z=0 can be combined according to various models of the halo velocity distribution function to form a column density spectrum that can be compared with the observed. I find that such clouds may explain the observed EWDF if the halo velocity distribution function is as steep a...
Developing fracture density models using terrestrial laser scan data
Pollyea, R.; Fairley, J. P.; Podgorney, R. K.; McLing, T. L.
2010-12-01
Characterizing fracture heterogeneity for subsurface flow and transport modeling has been of interest to the hydrogeologic community for many years. Currently, stochastic continuum and discrete fracture representations have come to be accepted as two of the most commonly used tools for incorporating fracture heterogeneity into subsurface flow and transport models. In this research, ground-based lidar data are used to model the surface roughness of vertical basalt exposures in the East Snake River Plain, Idaho (ESRP) as a surrogate for fracture density. The surface roughness is modeled by discretizing the dataset over a regular grid and fitting a regression plane to each gridblock. The standard deviation of distance from the block data to the regression plane is then assumed to represent a measure of roughness for each gridblock. Two-dimensional plots of surface roughness from ESRP exposures indicate discrete fractures can be quantitatively differentiated from unfractured rock at 0.25- meter resolution. This methodology may have broad applications for characterizing fracture heterogeneity. One application, demonstrated here, is to capture high resolution (low noise) covariance statistics for building stochastic property sets to be used in large scale flow simulations. Additional applications may include using surface roughness datasets as training images for multiple-point geostatistics analysis and for constraining discrete fracture models.
Institute of Scientific and Technical Information of China (English)
Limin Wang; Guofeng Zhou; Xiaowei Wang; Qingang Xiong; Wei Ge
2010-01-01
A coupled numerical method for the direct numerical simulation of particle-fluid systems is formulated and implemented,resolving an order of magnitude smaller than particle size.The particle motion is described by the time-driven hard-sphere model,while the hydrodynamic equations governing fluid flow are solved by the lattice Boltzmann method(LBM).Particle-fluid coupling is realized by an immersed boundary method(IBM),which considers the effect of boundary on surrounding fluid as a restoring force added to the governing equations of the fluid.The proposed scheme is validated in the classical flow-around-cylinder simulations,and preliminary application of this scheme to fluidization is reported,demonstrating it to be a promising computational strategy for better understanding complex behavior in particle-fluid systems.
Place, A.; Lacey, L.; Mitchell, T.
2013-01-01
The AlphaSphere is an electronic musical instrument featuring a series of tactile, pressure sensitive touch pads arranged in a spherical form. It is designed to offer a new playing style, while allowing for the expressive real-time modulation of sound available in electronic-based music. It is also designed to be programmable, enabling the flexibility to map a series of different notational arrangements to the pad-based interface.\\ud \\ud The AlphaSphere functions as an HID, MIDI and OSC devic...
Institute of Scientific and Technical Information of China (English)
王金涛; 刘子勇
2013-01-01
two silicon single crystal spheres is calculated based on a mathematical model by using liquid temperature, pressure, and central floatation height difference in the floatation condition. The stable constant temperature liquid with maximal error ±100 µK is realized by two-cycle water bath and PID control system. The floatation height of silicon single crystal sphere is determined by binary image and iterative algorithm. The stable suspension is achieved by the PID pressure control system, and the temperature fluctuation due to Joule-Thomson effect is reduced. By means of linearity between changes of temperature and pressure in hydrostatic suspension model, the compressibility of mixture liquid is measured. The experimental results show that the influence from liquid surface tension is avoided by using the hydrostatic suspension method, and accurate measurement of density difference between silicon single crystal spheres can be achieved with an uncertainty of 2.1×10−7 (expand factor k=1).
Cheng, J; Sprik, M
2014-06-18
A fully atomistic model of a compact electric double layer at the rutile TiO2(1 1 0)-water interface is constructed by adding protons to bridging oxygens or removing them from H2O molecules adsorbed on terminal metal cation sites. The surface charge is compensated by F(-) or Na(+) counter ions in outer as well as inner sphere coordination. For each of the protonation states the energy of the TiO2 conduction band minimum is determined relative to the standard hydrogen electrode by computing the free energy for the combined insertion of an electron in the solid and a proton in solution away from the double layer using density functional theory based molecular dynamics methods. Interpreted as electrode potentials, this gives an estimate of the capacitance which is compared to the capacitance obtained from the difference in the average electrostatic potentials in the solid and aqueous phase. When aligned at the point of zero charge these two methods lead to almost identical potential-charge profiles. We find that inner sphere complexes have a slightly larger capacitance (0.4 F m(-2)) compared to outer sphere complexes (0.3 F m(-2)).
Modeling reservoir density underflow and interflow from a chemical spill
Gu, R.; McCutcheon, S.C.; Wang, P.-F.
1996-01-01
An integral simulation model has been developed for understanding and simulating the process of a density current and the transport of spilled chemicals in a stratified reservoir. The model is capable of describing flow behavior and mixing mechanisms in different flow regimes (plunging flow, underflow, and interflow). It computes flow rate, velocity, flow thickness, mixing parameterized by entrainment and dilution, depths of plunging, separation and intrusion, and time of travel. The model was applied to the Shasta Reservoir in northern California during the July 1991 Sacramento River chemical spill. The simulations were used to assist in the emergency response, confirm remediation measures, and guide data collection. Spill data that were available after the emergency response are used to conduct a postaudit of the model results. Predicted flow parameters are presented and compared with observed interflow intrusion depth, travel time, and measured concentrations of spilled chemicals. In the reservoir, temperature difference between incoming river flow and ambient lake water played a dominant role during the processes of flow plunging, separation, and intrusion. With the integral approach, the gross flow behavior can be adequately described and information useful in the analysis of contaminated flow in a reservoir after a spill is provided.
Collective excitations in soft-sphere fluids.
Bryk, Taras; Gorelli, Federico; Ruocco, Giancarlo; Santoro, Mario; Scopigno, Tullio
2014-10-01
Despite that the thermodynamic distinction between a liquid and the corresponding gas ceases to exist at the critical point, it has been recently shown that reminiscence of gaslike and liquidlike behavior can be identified in the supercritical fluid region, encoded in the behavior of hypersonic waves dispersion. By using a combination of molecular dynamics simulations and calculations within the approach of generalized collective modes, we provide an accurate determination of the dispersion of longitudinal and transverse collective excitations in soft-sphere fluids. Specifically, we address the decreasing rigidity upon density reduction along an isothermal line, showing that the positive sound dispersion, an excess of sound velocity over the hydrodynamic limit typical for dense liquids, displays a nonmonotonic density dependence strictly correlated to that of thermal diffusivity and kinematic viscosity. This allows rationalizing recent observation parting the supercritical state based on the Widom line, i.e., the extension of the coexistence line. Remarkably, we show here that the extremals of transport properties such as thermal diffusivity and kinematic viscosity provide a robust definition for the boundary between liquidlike and gaslike regions, even in those systems without a liquid-gas binodal line. Finally, we discuss these findings in comparison with recent results for Lennard-Jones model fluid and with the notion of the "rigid-nonrigid" fluid separation lines.
Parsafar, G. A.; Shokouhi, M.
A new hard-core potential model was recently used to calculate thermodynamic properties of some model fluids, including equilibrium properties, such as compressibility factor and internal energy. A Lennard-Jones (LJ) like potential has been used to modify the repulsive part of the potential. The modified potential contains five parameters, namely, α, R, ɛ, σ, and σHS. The parameter α is the tail of the attractive branch whose value changes from zero to one. In this work, we have chosen α = 1 to make the potential continuous at separation r = Rσ, where the parameter R is the well width. R lies in the range 1.2 to 2.5, and R = 1.3 was found to be the best value for all real gases studied. The parameter ɛ is the well depth of potential function, and σ is the separation at which the potential function is zero. σHS is the effective hard sphere diameter, which depends on temperature and an additional parameter. Using statistical mechanics along with the Boltzmann factor criterion (BFC) for the effective hard sphere diameter, an analytical expression has been derived for the reduced second virial coefficient in terms of the reduced temperature. Fitting experimental data to expression derived for the second virial coefficient, the potential parameters ɛ and σ are obtained. Since this potential is spherical (depending only on distance), three types of species are chosen, namely Ar and He (monoatomic), N2and O2 (diatomic), and methane (spherical molecule), to show how appropriate this potential model is for them. This model predicts an inversion temperature for the second virial coefficient (temperature at which the second virial coefficient pass through a maximum) at ILM0001, where T1 is the inversion temperature, and TB is the Boyle temperature. The predicted value is better than that of the L-J model (for which ILM0002). The maximum percentage deviation of the second virial coefficient is about 2%, except around the Boyle temperature. Then the transport
Eckstein, Michał; Wulkenhaar, Raimar
2016-01-01
We construct a family of constant curvature metrics on the Moyal plane and compute the Gauss-Bonnet term for each of them. They arise from the conformal rescaling of the metric in the orthonormal frame approach. We find a particular solution, which corresponds to the Fubini-Study metric and which equips the Moyal algebra with the geometry of a noncommutative sphere.
Eckstein, Michał; Sitarz, Andrzej; Wulkenhaar, Raimar
2016-11-01
We construct a family of constant curvature metrics on the Moyal plane and compute the Gauss-Bonnet term for each of them. They arise from the conformal rescaling of the metric in the orthonormal frame approach. We find a particular solution, which corresponds to the Fubini-Study metric and which equips the Moyal algebra with the geometry of a noncommutative sphere.
Critical state model with anisotropic critical current density
Bhagwat, K V; Ravikumar, G
2003-01-01
Analytical solutions of Bean's critical state model with critical current density J sub c being anisotropic are obtained for superconducting cylindrical samples of arbitrary cross section in a parallel geometry. We present a method for calculating the flux fronts and magnetization curves. Results are presented for cylinders with elliptical cross section with a specific form of the anisotropy. We find that over a certain range of the anisotropy parameter the flux fronts have shapes similar to those for an isotropic sample. However, in general, the presence of anisotropy significantly modifies the shape of the flux fronts. The field for full flux penetration also depends on the anisotropy parameter. The method is extended to the case of anisotropic J sub c that also depends on the local field B, and magnetization hysteresis curves are presented for typical values of the anisotropy parameter for the case of |J sub c | that decreases exponentially with |B|.
Element-specific density profiles in interacting biomembrane models
Schneck, Emanuel; Rodriguez-Loureiro, Ignacio; Bertinetti, Luca; Marin, Egor; Novikov, Dmitri; Konovalov, Oleg; Gochev, Georgi
2017-03-01
Surface interactions involving biomembranes, such as cell–cell interactions or membrane contacts inside cells play important roles in numerous biological processes. Structural insight into the interacting surfaces is a prerequisite to understand the interaction characteristics as well as the underlying physical mechanisms. Here, we work with simplified planar experimental models of membrane surfaces, composed of lipids and lipopolymers. Their interaction is quantified in terms of pressure–distance curves using ellipsometry at controlled dehydrating (interaction) pressures. For selected pressures, their internal structure is investigated by standing-wave x-ray fluorescence (SWXF). This technique yields specific density profiles of the chemical elements P and S belonging to lipid headgroups and polymer chains, as well as counter-ion profiles for charged surfaces.
Comparison of different gravity field implied density models of the topography
Sedighi, Morteza; Tabatabaee, Seied; Najafi-Alamdari, Mehdi
2009-06-01
Density within the Earth crust varies between 1.0 and 3.0 g/cm3. The Bouguer gravity field measured in south Iran is analyzed using four different regional-residual separation techniques to obtain a residual map of the gravity field suitable for density modeling of topography. A density model of topography with radial and lateral distribution of density is required for an accurate determination of the geoid, e.g., in the Stokes-Helmert approach. The apparent density mapping technique is used to convert the four residual Bouguer anomaly fields into the corresponding four gravity im-plied subsurface density (GRADEN) models. Although all four density models showed good correlation with the geological density (GEODEN) model of the region, the GRADEN models obtained by high-pass filter-ing and GGM high-pass filtering show better numerical correlation with GEODEN model than the other models.
A generalized model for estimating the energy density of invertebrates
James, Daniel A.; Csargo, Isak J.; Von Eschen, Aaron; Thul, Megan D.; Baker, James M.; Hayer, Cari-Ann; Howell, Jessica; Krause, Jacob; Letvin, Alex; Chipps, Steven R.
2012-01-01
Invertebrate energy density (ED) values are traditionally measured using bomb calorimetry. However, many researchers rely on a few published literature sources to obtain ED values because of time and sampling constraints on measuring ED with bomb calorimetry. Literature values often do not account for spatial or temporal variability associated with invertebrate ED. Thus, these values can be unreliable for use in models and other ecological applications. We evaluated the generality of the relationship between invertebrate ED and proportion of dry-to-wet mass (pDM). We then developed and tested a regression model to predict ED from pDM based on a taxonomically, spatially, and temporally diverse sample of invertebrates representing 28 orders in aquatic (freshwater, estuarine, and marine) and terrestrial (temperate and arid) habitats from 4 continents and 2 oceans. Samples included invertebrates collected in all seasons over the last 19 y. Evaluation of these data revealed a significant relationship between ED and pDM (r2 = 0.96, p calorimetry approaches. This model should prove useful for a wide range of ecological studies because it is unaffected by taxonomic, seasonal, or spatial variability.
Matter density perturbation and power spectrum in running vacuum model
Geng, Chao-Qiang; Lee, Chung-Chi
2016-10-01
We investigate the matter density perturbation δm and power spectrum P(k) in the running vacuum model (RVM) with the cosmological constant being a function of the Hubble parameter, given by Λ = Λ0 + 6σHH0 + 3νH2, in which the linear and quadratic terms of H would originate from the QCD vacuum condensation and cosmological renormalization group, respectively. Taking the dark energy perturbation into consideration, we derive the evolution equation for δm and find a specific scale dcr = 2π/kcr, which divides the evolution of the universe into the sub and super-interaction regimes, corresponding to k ≪ kcr and k ≫ kcr, respectively. For the former, the evolution of δm has the same behavior as that in the ΛCDM model, while for the latter, the growth of δm is frozen (greatly enhanced) when ν + σ > ( matter and dark energy. It is clear that the observational data rule out the cases with ν < 0 and ν + σ < 0, while the allowed window for the model parameters is extremely narrow with ν , |σ | ≲ {O}(10^{-7}).
Oil capture from a water surface by a falling sphere
Smolka, Linda; McLaughlin, Clare; Witelski, Thomas
2015-11-01
When a spherical particle is dropped from rest into an oil lens that floats on top of a water surface, a portion of the oil adheres to the sphere. Once the sphere comes to rest at the subsurface, the oil forms a pendant drop that remains attached in equilibrium to the sphere effectively removing oil from the water surface. Best fit solutions of the Laplace equation to experimental profiles are used to investigate the parameter dependence of the radius of curvature and the filling and contact angles at the three-phase contact line of the pendant drop for spheres with different wetting properties, densities and radii. The volume of oil captured by a sphere increases with a sphere's mass and diameter. However, lighter and smaller spheres capture more oil relative to their own volume than do heavier and larger spheres (scaling with the sphere mass ~M - 0 . 544) and are thus more efficient at removing oil from a water surface. The authors wish to acknowledge the support of the National Science Foundation Grant Nos. DMS-0707755 and DMS-0968252.
Fractional Boundaries for Fluid Spheres
Bayin, S; Krisch, J P; Bayin, Selcuk; Krisch, Jean P.
2006-01-01
A single Israel layer can be created when two metrics adjoin with no continuous metric derivative across the boundary. The properties of the layer depend only on the two metrics it separates. By using a fractional derivative match, a family of Israel layers can be created between the same two metrics. The family is indexed by the order of the fractional derivative. The method is applied to Tolman IV and V interiors and a Schwarzschild vacuum exterior. The method creates new ranges of modeling parameters for fluid spheres. A thin shell analysis clarifies pressure/tension in the family of boundary layers.
Entanglement entropy of round spheres
Energy Technology Data Exchange (ETDEWEB)
Solodukhin, Sergey N., E-mail: Sergey.Solodukhin@lmpt.univ-tours.f [Laboratoire de Mathematiques et Physique Theorique, Universite Francois-Rabelais Tours Federation Denis Poisson - CNRS, Parc de Grandmont, 37200 Tours (France)
2010-10-18
We propose that the logarithmic term in the entanglement entropy computed in a conformal field theory for a (d-2)-dimensional round sphere in Minkowski spacetime is identical to the logarithmic term in the entanglement entropy of extreme black hole. The near horizon geometry of the latter is H{sub 2}xS{sub d-2}. For a scalar field this proposal is checked by direct calculation. We comment on relation of this and earlier calculations to the 'brick wall' model of 't Hooft. The case of generic 4d conformal field theory is discussed.
ORGANIZATION IN CONTEMPORARY PUBLIC SPHERE
Directory of Open Access Journals (Sweden)
Rosemarie HAINES
2013-12-01
Full Text Available The critical analysis of Habermas’ Public Sphere Theory and the comparative undertaking to the current day enables us to assert that in contemporary society, public sphere is no longer a political public sphere, this dimension being completed by a societal dimension, the public sphere has extended and now we can talk about partial public spheres in an ever more commercial environment. The new rebuilding and communication technologies create a new type of public character: the visible sphere – non-located, non-dialogical and open. Information and communication are more and more involved in the restructuring of capitalism on an international scale and the reorganization of leadership and management systems. The reevaluation of the public sphere, public opinion, communication allows us to define public sphere according to the profound mutations from today’s democratic societies.
Bifundamental Fuzzy 2-Sphere and Fuzzy Killing Spinors
Directory of Open Access Journals (Sweden)
Horatiu Nastase
2010-07-01
Full Text Available We review our construction of a bifundamental version of the fuzzy 2-sphere and its relation to fuzzy Killing spinors, first obtained in the context of the ABJM membrane model. This is shown to be completely equivalent to the usual (adjoint fuzzy sphere. We discuss the mathematical details of the bifundamental fuzzy sphere and its field theory expansion in a model-independent way. We also examine how this new formulation affects the twisting of the fields, when comparing the field theory on the fuzzy sphere background with the compactification of the 'deconstructed' (higher dimensional field theory.
Classical and quantum dynamics of the sphere
Lasukov, Vladimir; Moldovanova, Evgeniia; Abdrashitova, Maria; Malik, Hitendra; Gorbacheva, Ekaterina
2016-07-01
In Minkowski space, there has been developed the mathematic quantum model of the real particle located on the sphere evolving owing to the negative pressure inside the sphere. The developed model is analogous to the geometrodynamic model of the Lemaitre-Friedmann primordial atom in superspace-time, whose spatial coordinate is the scale factor functioning as a radial coordinate. There is a formulation of quantum geometrodynamics in which the spatial coordinate is an offset of the scale factor and wave function at the same time. With the help of the Dirac procedure for extracting the root from the Hamiltonian operator we have constructed a Dirac quantum dynamics of the sphere with fractional spin.
Stratified flows with variable density: mathematical modelling and numerical challenges.
Murillo, Javier; Navas-Montilla, Adrian
2017-04-01
Stratified flows appear in a wide variety of fundamental problems in hydrological and geophysical sciences. They may involve from hyperconcentrated floods carrying sediment causing collapse, landslides and debris flows, to suspended material in turbidity currents where turbulence is a key process. Also, in stratified flows variable horizontal density is present. Depending on the case, density varies according to the volumetric concentration of different components or species that can represent transported or suspended materials or soluble substances. Multilayer approaches based on the shallow water equations provide suitable models but are not free from difficulties when moving to the numerical resolution of the governing equations. Considering the variety of temporal and spatial scales, transfer of mass and energy among layers may strongly differ from one case to another. As a consequence, in order to provide accurate solutions, very high order methods of proved quality are demanded. Under these complex scenarios it is necessary to observe that the numerical solution provides the expected order of accuracy but also converges to the physically based solution, which is not an easy task. To this purpose, this work will focus in the use of Energy balanced augmented solvers, in particular, the Augmented Roe Flux ADER scheme. References: J. Murillo , P. García-Navarro, Wave Riemann description of friction terms in unsteady shallow flows: Application to water and mud/debris floods. J. Comput. Phys. 231 (2012) 1963-2001. J. Murillo B. Latorre, P. García-Navarro. A Riemann solver for unsteady computation of 2D shallow flows with variable density. J. Comput. Phys.231 (2012) 4775-4807. A. Navas-Montilla, J. Murillo, Energy balanced numerical schemes with very high order. The Augmented Roe Flux ADER scheme. Application to the shallow water equations, J. Comput. Phys. 290 (2015) 188-218. A. Navas-Montilla, J. Murillo, Asymptotically and exactly energy balanced augmented flux
Matter density perturbation and power spectrum in running vacuum model
Geng, Chao-Qiang; Lee, Chung-Chi
2017-01-01
We investigate the matter density perturbation δm and power spectrum P(k) in the running vacuum model, with the cosmological constant being a function of the Hubble parameter, given by Λ = Λ0 + 6σHH0 + 3νH2, in which the linear and quadratic terms of H would originate from the QCD vacuum condensation and cosmological renormalization group, respectively. Taking the dark energy perturbation into consideration, we derive the evolution equation for δm and find a specific scale dcr = 2π/kcr, which divides the evolution of the universe into the sub-interaction and super-interaction regimes, corresponding to k ≪ kcr and k ≫ kcr, respectively. For the former, the evolution of δm has the same behaviour as that in the Λ cold dark model, while for the latter, the growth of δm is frozen (greatly enhanced) when ν + σ > (extremely narrow with ν , |σ | ≲ O(10^{-7}).
A unified model of density limit in fusion plasmas
Zanca, P.; Sattin, F.; Escande, D. F.; Pucella, G.; Tudisco, O.
2017-05-01
In this work we identify by analytical and numerical means the conditions for the existence of a magnetic and thermal equilibrium of a cylindrical plasma, in the presence of Ohmic and/or additional power sources, heat conduction and radiation losses by light impurities. The boundary defining the solutions’ space having realistic temperature profile with small edge value takes mathematically the form of a density limit (DL). Compared to previous similar analyses the present work benefits from dealing with a more accurate set of equations. This refinement is elementary, but decisive, since it discloses a tenuous dependence of the DL on the thermal transport for configurations with an applied electric field. Thanks to this property, the DL scaling law is recovered almost identical for two largely different devices such as the ohmic tokamak and the reversed field pinch. In particular, they have in common a Greenwald scaling, linearly depending on the plasma current, quantitatively consistent with experimental results. In the tokamak case the DL dependence on any additional heating approximately follows a 0.5 power law, which is compatible with L-mode experiments. For a purely externally heated configuration, taken as a cylindrical approximation of the stellarator, the DL dependence on transport is found stronger. By adopting suitable transport models, DL takes on a Sudo-like form, in fair agreement with LHD experiments. Overall, the model provides a good zeroth-order quantitative description of the DL, applicable to widely different configurations.
Bedogni, Roberto; Pelliccioni, Maurizio; Esposito, Adolfo
2010-03-01
Due to the increased interest of the scientific community in the applications of synchrotron light, there is an increasing demand of high-energy electron facilities, testified by the construction of several new facilities worldwide. The radiation protection around such facilities requires accurate experimental methods to determine the dose due to prompt radiation fields. Neutron fields, in particular, are the most complex to measure, because they extend in energy from thermal (10 -8 MeV) up to hundreds MeV and because the responses of dosemeters and survey meters usually have large energy dependence. The Bonner Spheres Spectrometer (BSS) is in practice the only instrument able to respond over the whole energy range of interest, and for this reason it is frequently used to derive neutron spectra and dosimetric quantities in accelerator workplaces. Nevertheless, complex unfolding algorithms are needed to derive the neutron spectra from the experimental BSS data. This paper presents a parametric model specially developed for the unfolding of the experimental data measured with BSS around high-energy electron accelerators. The work consists of the following stages: (1) Generation with the FLUKA code, of a set of neutron spectra representing the radiation environment around accelerators with different electron energies; (2) formulation of a parametric model able to describe these spectra, with particular attention to the high-energy component (>10 MeV), which may be responsible for a large part of the dose in workplaces; and (3) implementation of this model in an existing unfolding code.
A Monte Carlo study of the freezing transition of hard spheres.
Nayhouse, Michael; Amlani, Ankur M; Orkoulas, G
2011-08-17
A simulation method for fluid-solid transitions, which is based on a modification of the constrained cell model of Hoover and Ree, is developed and tested on a system of hard spheres. In the fully occupied constrained cell model, each particle is confined in its own Wigner-Seitz cell. Constant-pressure simulations of the constrained cell model for a system of hard spheres indicate a point of mechanical instability at a density which is about 64% of the density at the close packed limit. Below that point, the solid is mechanically unstable since without the confinement imposed by the cell walls it will disintegrate to a disordered, fluid-like phase. Hoover and Ree proposed a modified cell model by introducing an external field of variable strength. High values of the external field variable favor configurations with one particle per cell and thus stabilize the solid phase. In this work, the modified cell model of a hard-sphere system is simulated under constant-pressure conditions using tempering and histogram reweighting techniques. The simulations indicate that as the strength of the field is reduced, the transition from the solid to the fluid phase is continuous below the mechanical instability point and discontinuous above. The fluid-solid transition of the hard-sphere system is determined by analyzing the field-induced fluid-solid transition of the modified cell model in the limit in which the external field vanishes. The coexistence pressure and densities are obtained through finite-size scaling techniques and are in good accord with previous estimates.
DEFF Research Database (Denmark)
Andersen, Rikke K; Johansen, Mathias; Blaabjerg, Morten
2007-01-01
maintained their neurogenic potential throughout 77 days of propagation, while the ability of anterior NTS to generate neurons severely declined from day 40. The present procedure describes isolation and long-term expansion of forebrain SVZ tissue with potential preservation of the endogenous cellular......By combining new and established protocols we have developed a procedure for isolation and propagation of neural precursor cells from the forebrain subventricular zone (SVZ) of newborn rats. Small tissue blocks of the SVZ were dissected and propagated en bloc as free-floating neural tissue......-spheres (NTS) in EGF and FGF2 containing medium. The spheres were cut into quarters when passaged every 10-15th day, avoiding mechanical or enzymatic dissociation in order to minimize cellular trauma and preserve intercellular contacts. For analysis of regional differences within the forebrain SVZ, NTS were...
Absolute multilateration between spheres
Muelaner, Jody; Wadsworth, William; Azini, Maria; Mullineux, Glen; Hughes, Ben; Reichold, Armin
2017-04-01
Environmental effects typically limit the accuracy of large scale coordinate measurements in applications such as aircraft production and particle accelerator alignment. This paper presents an initial design for a novel measurement technique with analysis and simulation showing that that it could overcome the environmental limitations to provide a step change in large scale coordinate measurement accuracy. Referred to as absolute multilateration between spheres (AMS), it involves using absolute distance interferometry to directly measure the distances between pairs of plain steel spheres. A large portion of each sphere remains accessible as a reference datum, while the laser path can be shielded from environmental disturbances. As a single scale bar this can provide accurate scale information to be used for instrument verification or network measurement scaling. Since spheres can be simultaneously measured from multiple directions, it also allows highly accurate multilateration-based coordinate measurements to act as a large scale datum structure for localized measurements, or to be integrated within assembly tooling, coordinate measurement machines or robotic machinery. Analysis and simulation show that AMS can be self-aligned to achieve a theoretical combined standard uncertainty for the independent uncertainties of an individual 1 m scale bar of approximately 0.49 µm. It is also shown that combined with a 1 µm m‑1 standard uncertainty in the central reference system this could result in coordinate standard uncertainty magnitudes of 42 µm over a slender 1 m by 20 m network. This would be a sufficient step change in accuracy to enable next generation aerospace structures with natural laminar flow and part-to-part interchangeability.
Guthrie, Forbes; Saidel-Keesing, Maish
2011-01-01
The only book focused on designing VMware vSphere implementations.VMware vSphere is the most widely deployed virtualization platform today. Considered the most robust and sophisticated hypervisor product, vSphere is the de facto standard for businesses, both large and small. This book is the only one of its kind to concisely explain how to execute a successful vSphere architecture, tailored to meet your company's needs. Expert authors share with you the factors that shape the design of a vSphere implementation. Learn how to make the right design decisions for your environment.Explores the late
Energy Technology Data Exchange (ETDEWEB)
Solovyeva, Alisa [Gorlaeus Laboratories, Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Technical University Braunschweig, Institute for Physical and Theoretical Chemistry, Hans-Sommer-Str. 10, 38106 Braunschweig (Germany); Pavanello, Michele [Gorlaeus Laboratories, Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Neugebauer, Johannes [Technical University Braunschweig, Institute for Physical and Theoretical Chemistry, Hans-Sommer-Str. 10, 38106 Braunschweig (Germany)
2012-05-21
Subsystem density-functional theory (DFT) is a powerful and efficient alternative to Kohn-Sham DFT for large systems composed of several weakly interacting subunits. Here, we provide a systematic investigation of the spin-density distributions obtained in subsystem DFT calculations for radicals in explicit environments. This includes a small radical in a solvent shell, a {pi}-stacked guanine-thymine radical cation, and a benchmark application to a model for the special pair radical cation, which is a dimer of bacteriochlorophyll pigments, from the photosynthetic reaction center of purple bacteria. We investigate the differences in the spin densities resulting from subsystem DFT and Kohn-Sham DFT calculations. In these comparisons, we focus on the problem of overdelocalization of spin densities due to the self-interaction error in DFT. It is demonstrated that subsystem DFT can reduce this problem, while it still allows to describe spin-polarization effects crossing the boundaries of the subsystems. In practical calculations of spin densities for radicals in a given environment, it may thus be a pragmatic alternative to Kohn-Sham DFT calculations. In our calculation on the special pair radical cation, we show that the coordinating histidine residues reduce the spin-density asymmetry between the two halves of this system, while inclusion of a larger binding pocket model increases this asymmetry. The unidirectional energy transfer in photosynthetic reaction centers is related to the asymmetry introduced by the protein environment.
Romanova, Emma; Alexeeva, Nina; Arshinova, Marina; Klimanova, Oksana; Kovaleva, Tatiana; Kondratieva, Tatiana; Alyautdinov, Ali
2016-04-01
The first fundamental investigation aimed at the elaboration of the global map of terrestrial landscapes has resulted in a series of maps for the Physical-Geographical Atlas of the World (1964). Typological classification of landscapes and the concept of the zonal differentiation of terrestrial landscapes of the Earth became a basis for the maps of physical-geographical regions of individual continents and the global map of landscape types at the scale of 1:80 Mln. The next stage of research in the sphere of small-scale landscape regionalization and mapping of both natural and natural-anthropogenic landscapes has produced the global maps of Geographical Belts and Zonal Types of Terrestrial Landscapes (1988) and Present-Day Landscapes of the World (1992) at the scale of 1:15 Mln. By the end of the 1990-s similar maps of individual continents were compiled for the Nature and Resources of the Earth digital atlas. Recent decades saw further development of the idea of zone - sector - belt structure of the Earth's landscape sphere which includes several hierarchically subordinated natural-territorial levels. New theoretical studies and emergence of extensive information materials allowed starting the elaboration of a new (third-generation) map at the scales of 1:15 Mln to 1:5 Mln. A new classification of landscape units was suggested basing on the analysis of principal landscape-forming factors (climatic, lithogene and biogenic). A new cartographical model was developed specifying the following hierarchical levels: geographical belts, sectors, natural zones and sub-zones, classes and subclasses of landscapes. Classification criteria used for landscape systematization and mapping include both natural parameters (radiation balance, heat and moisture supply, structure of the vegetative period, biological productivity of vegetation, etc.) and anthropogenic indicators, thus providing for the evaluation of the geoecological state of landscapes (ecosystems of regional dimension
Detonability of white dwarf plasma: turbulence models at low densities
Fenn, D.; Plewa, T.
2017-06-01
We study the conditions required to produce self-sustained detonations in turbulent, carbon-oxygen degenerate plasma at low densities. We perform a series of three-dimensional hydrodynamic simulations of turbulence driven with various degrees of compressibility. The average conditions in the simulations are representative of models of merging binary white dwarfs. We find that material with very short ignition times is abundant in case turbulence is driven compressively. This material forms contiguous structures that persist over many ignition times, and that we identify as prospective detonation kernels. Detailed analysis of prospective kernels reveals that these objects are centrally condensed and their shape is characterized by low curvature, supportive of self-sustained detonations. The key characteristic of the newly proposed detonation mechanism is thus high degree of compressibility of turbulent drive. The simulated detonation kernels have sizes notably smaller than the spatial resolution of any white dwarf merger simulation performed to date. The resolution required to resolve kernels is 0.1 km. Our results indicate a high probability of detonations in such well-resolved simulations of carbon-oxygen white dwarf mergers. These simulations will likely produce detonations in systems of lower total mass, thus broadening the population of white dwarf binaries capable of producing Type Ia supernovae. Consequently, we expect a downward revision of the lower limit of the total merger mass that is capable of producing a prompt detonation. We review application of the new detonation mechanism to various explosion scenarios of single, Chandrasekhar-mass white dwarfs.
Thermodynamic instabilities of a binary mixture of sticky hard spheres.
Fantoni, Riccardo; Gazzillo, Domenico; Giacometti, Achille
2005-07-01
The thermodynamic instabilities of a binary mixture of sticky hard spheres (SHS) in the modified mean spherical approximation (mMSA) and the Percus-Yevick (PY) approximation are investigated using an approach devised by Chen and Forstmann [corrected] [J. Chem. Phys. [corrected] 97, 3696 (1992)]. This scheme hinges on a diagonalization of the matrix of second functional derivatives of the grand canonical potential with respect to the particle density fluctuations. The zeroes of the smallest eigenvalue and the direction of the relative eigenvector characterize the instability uniquely. We explicitly compute three different classes of examples. For a symmetrical binary mixture, analytical calculations, both for mMSA and for PY, predict that when the strength of adhesiveness between like particles is smaller than the one between unlike particles, only a pure condensation spinodal exists; in the opposite regime, a pure demixing spinodal appears at high densities. We then compare the mMSA and PY results for a mixture where like particles interact as hard spheres (HS) and unlike particles as SHS, and for a mixture of HS in a SHS fluid. In these cases, even though the mMSA and PY spinodals are quantitatively and qualitatively very different from each other, we prove that they have the same kind of instabilities. Finally, we study the mMSA solution for five different mixtures obtained by setting the stickiness parameters equal to five different functions of the hard sphere diameters. We find that four of the five mixtures exhibit very different type of instabilities. Our results are expected to provide a further step toward a more thoughtful application of SHS models to colloidal fluids.
Bioinorganic Chemistry Modeled with the TPSSh Density Functional
DEFF Research Database (Denmark)
Kepp, Kasper Planeta
2008-01-01
In this work, the TPSSh density functional has been benchmarked against a test set of experimental structures and bond energies for 80 transition-metal-containing diatomics. It is found that the TPSSh functional gives structures of the same quality as other commonly used hybrid and nonhybrid func...... promising density functional for use and further development within the field of bioinorganic chemistry....
Revitalization of the Public Sphere: A Comparison between Habermasian and the New Public Sphere
Directory of Open Access Journals (Sweden)
Muhammad Zubair Khan
2014-06-01
Full Text Available “Public sphere” is an important component of modern polity. Civil society brings the state in touch with the needs of the citizens through the medium of public sphere. However, Habermas argues that “public sphere” experienced refeudalization owing to various factors i.e. propaganda, cultural industry, market and state intervention. The “public” was condemned to be mere spectator again. This article argues that modern technologies enabled new public sphere (NPS can help restore public status as participant in the democratic process. By employing interpretivist approach the article compares the Habermasian ideal of public sphere with NPS and constructs a matrix, depicting the various related aspects between the two models for highlighting the revival of the public sphere.
Impact of supersymmetry on the nonperturbative dynamics of fuzzy spheres
Anagnostopoulos, K N; Nagao, K; Nishimura, J; Anagnostopoulos, Konstantinos N.; Azuma, Takehiro; Nagao, Keiichi; Nishimura, Jun
2005-01-01
We study a 4d supersymmetric matrix model with a cubic term, which incorporates fuzzy spheres as classical solutions, using Monte Carlo simulations and perturbative calculations. The fuzzy sphere in the supersymmetric model turns out to be always stable if the large-N limit is taken in such a way that various correlation functions scale. This is in striking contrast to analogous bosonic models, where the fuzzy sphere decays into the pure Yang-Mills vacuum due to quantum effects when the coefficient of the cubic term becomes smaller than a critical value. We also find that the power-law tail of the eigenvalue distribution, which exists in the supersymmetric model without the cubic term, disappears in the presence of the fuzzy sphere in the large-N limit. Coincident fuzzy spheres turn out to be unstable, which implies that the dynamically generated gauge group is U(1).
Structure of the Lithosphere in Central Europe: Integrated Density Modelling
Bielik, M.; Grinč, M.; Zeyen, H. J.; Plašienka, D.; Pasteka, R.; Krajňák, M.; Bošanský, M.; Mikuška, J.
2014-12-01
Firstly, we present new results related to the lithospheric structure and tectonics of the Central Europe and the Western Carpathians. For geophysical study of the lithosphere in Central Europe we calculated four original 2D lithosphere-scales transects crossing this area from the West European Platform in the North to the Aegean Sea in the South and from the Adriatic Sea in the West to the East European Platform in the East. Modelling is based on the joint interpretation of gravity, geoid, topography and surface heat flow data with temperature-dependent density. Wherever possible, crustal structure is constrained by seismic data. The thickness of the lithosphere decreases from the older and colder platforms to the younger and hotter Pannonian Basin with a maximum thickness under the Eastern and Southern Carpathians. The thickness of the Carpathian arc lithosphere varies between 150 km in the North (the Western Carpathians) and about 300 km in the Vrancea zone (the Eastern and Southern Carpathian junction). In the Platform areas it is between 120 and 150 km and in the Pannonian Basin it is about 70 km. The models show that the Moesian Platform is overthrust from the North by the Southern Carpathians and from the South by the Balkanides and characterized by bending of this platform. In all transects, the thickest crust is found underneath the Carpathian Mountains or, as in the case of the Vrancea area, under their immediate foreland. The thickest crust outside the orogens is modelled for the Moesian Platform with Moho depths of up to 45 km. The thinnest crust is located under the Pannonian Basin with about 26-27 km. Secondly, our presentation deals with construction of the stripped gravity map in the Turiec Basin, which represents typical intramontane Neogene depression of the Western Carpathians. Based on this new and original gravity map corrected by regional gravity effect we were able to interpret the geological structure and tectonics of this sedimentary basin
Flory-Huggins theory for athermal mixtures of hard spheres and larger flexible polymers
Sear, Richard P.
2002-01-01
A simple analytic theory for mixtures of hard spheres and larger polymers with excluded volume interactions is developed. The mixture is shown to exhibit extensive immiscibility. For large polymers with strong excluded volume interactions, the density of monomers at the critical point for demixing decreases as one over the square root of the length of the polymer, while the density of spheres tends to a constant. This is very different to the behaviour of mixtures of hard spheres and ideal po...
Theory of asymmetric nonadditive binary hard-sphere mixtures.
Roth, R; Evans, R; Louis, A A
2001-11-01
It is shown that the formal procedure of integrating out the degrees of freedom of the small spheres in a binary hard-sphere mixture works equally well for nonadditive as it does for additive mixtures. For highly asymmetric mixtures (small size ratios) the resulting effective Hamiltonian of the one-component fluid of big spheres, which consists of an infinite number of many-body interactions, should be accurately approximated by truncating after the term describing the effective pair interaction. Using a density functional treatment developed originally for additive hard-sphere mixtures the zero, one, and two-body contribution to the effective Hamiltonian are determined. It is demonstrated that even small degrees of positive or negative nonadditivity have significant effect on the shape of the depletion potential. The second virial coefficient B2, corresponding to the effective pair interaction between two big spheres, is found to be a sensitive measure of the effects of nonadditivity. The variation of B2 with the density of the small spheres shows significantly different behavior for additive, slightly positive and slightly negative nonadditive mixtures. Possible repercussions of these results for the phase behavior of binary hard-sphere mixtures are discussed and it is suggested that measurements of B2 might provide a means of determining the degree of nonadditivity in real colloidal mixtures.
Forming MOFs into spheres by use of molecular gastronomy methods.
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.
Sphere Drag and Heat Transfer.
Duan, Zhipeng; He, Boshu; Duan, Yuanyuan
2015-07-20
Modelling fluid flows past a body is a general problem in science and engineering. Historical sphere drag and heat transfer data are critically examined. The appropriate drag coefficient is proposed to replace the inertia type definition proposed by Newton. It is found that the appropriate drag coefficient is a desirable dimensionless parameter to describe fluid flow physical behavior so that fluid flow problems can be solved in the simple and intuitive manner. The appropriate drag coefficient is presented graphically, and appears more general and reasonable to reflect the fluid flow physical behavior than the traditional century old drag coefficient diagram. Here we present drag and heat transfer experimental results which indicate that there exists a relationship in nature between the sphere drag and heat transfer. The role played by the heat flux has similar nature as the drag. The appropriate drag coefficient can be related to the Nusselt number. This finding opens new possibilities in predicting heat transfer characteristics by drag data. As heat transfer for flow over a body is inherently complex, the proposed simple means may provide an insight into the mechanism of heat transfer for flow past a body.
Alternative fundamental measure theory for additive hard sphere mixtures.
Malijevský, Alexandr
2006-11-21
The purpose of this short paper is to present an alternative fundamental measure theory (FMT) for hard sphere mixtures. Keeping the main features of the original Rosenfeld's FMT [Phys. Rev. Lett. 63, 980 (1989)] and using the dimensional and the low-density limit conditions a new functional is derived incorporating Boublik's multicomponent extension [Mol. Phys. 59, 371 (1986)] of highly accurate Kolafa's equation of state for pure hard spheres. We test the theory for pure hard spheres and hard sphere mixtures near a planar hard wall and compare the results with the original Rosenfeld's FMT and one of its modifications and with new very accurate simulation data. The test reveals an excellent agreement between the results based on the alternative FMT and simulation data for density profile near a contact and some improvement over the original Rosenfeld's FMT and its modification at the contact region.
Hollow silica spheres: synthesis and mechanical properties.
Zhang, Lijuan; D'Acunzi, Maria; Kappl, Michael; Auernhammer, Günter K; Vollmer, Doris; van Kats, Carlos M; van Blaaderen, Alfons
2009-03-03
Core-shell polystyrene-silica spheres with diameters of 800 nm and 1.9 microm were synthesized by soap-free emulsion and dispersion polymerization of the polystyrene core, respectively. The polystyrene spheres were used as templates for the synthesis of silica shells of tunable thickness employing the Stöber method [Graf et al. Langmuir 2003, 19, 6693]. The polystyrene template was removed by thermal decomposition at 500 degrees C, resulting in smooth silica shells of well-defined thickness (15-70 nm). The elastic response of these hollow spheres was probed by atomic force microscopy (AFM). A point load was applied to the particle surface through a sharp AFM tip, and successively increased until the shell broke. In agreement with the predictions of shell theory, for small deformations the deformation increased linearly with applied force. The Young's modulus (18 +/- 6 GPa) was about 4 times smaller than that of fused silica [Adachi and Sakka J. Mater. Sci. 1990, 25, 4732] but identical to that of bulk silica spheres (800 nm) synthesized by the Stöber method, indicating that it yields silica of lower density. The minimum force needed to irreversibly deform (buckle) the shell increased quadratically with shell thickness.
Spectral density of the correlation matrix of factor models: a random matrix theory approach.
Lillo, F; Mantegna, R N
2005-07-01
We studied the eigenvalue spectral density of the correlation matrix of factor models of multivariate time series. By making use of the random matrix theory, we analytically quantified the effect of statistical uncertainty on the spectral density due to the finiteness of the sample. We considered a broad range of models, ranging from one-factor models to hierarchical multifactor models.
Royle, J. Andrew; Converse, Sarah J.
2014-01-01
Capture–recapture studies are often conducted on populations that are stratified by space, time or other factors. In this paper, we develop a Bayesian spatial capture–recapture (SCR) modelling framework for stratified populations – when sampling occurs within multiple distinct spatial and temporal strata.We describe a hierarchical model that integrates distinct models for both the spatial encounter history data from capture–recapture sampling, and also for modelling variation in density among strata. We use an implementation of data augmentation to parameterize the model in terms of a latent categorical stratum or group membership variable, which provides a convenient implementation in popular BUGS software packages.We provide an example application to an experimental study involving small-mammal sampling on multiple trapping grids over multiple years, where the main interest is in modelling a treatment effect on population density among the trapping grids.Many capture–recapture studies involve some aspect of spatial or temporal replication that requires some attention to modelling variation among groups or strata. We propose a hierarchical model that allows explicit modelling of group or strata effects. Because the model is formulated for individual encounter histories and is easily implemented in the BUGS language and other free software, it also provides a general framework for modelling individual effects, such as are present in SCR models.
Brückmann, Lisa; Tyrra, Wieland; Mathur, Sanjay; Berden, Giel; Oomens, Jos; Meijer, Anthony J H M; Schäfer, Mathias
2012-06-01
A series of aluminium complex ions with trifluoromethyl-heteroarylalkenolato (TMHA) ligands are studied by gas-phase infrared multiphoton-dissociation (IRMPD) spectroscopy and computational modelling. The selected series of aluminium TMHA complex ions are promising species for the initial study of intrinsic binding characteristics of Al(III) cations in the gas phase as corresponding molecular ions. They are readily available for examination by (+) and (-) electrospray ionization mass spectrometry (ESI-MS) by spraying of [Al(3+)⋅(L(-))(3)] solutions. The complex ions under investigation contain trivalent Al(3+) cations with two chelating anionic enolate ligands, [Al(3+)⋅(L(-))(2)](+), providing insights in the nature of the heteroatom-Al bonds. Additionally, the structure of a deprotonated benzimidazole ligand, L(-,) and an anionic complex ion of Al(III) with two doubly deprotonated benzimidazole ligands, [Al(3+)⋅(L(2-))(2)](-), are examined by (-)ESI-IRMPD spectroscopy. Experimental and computational results are highly consistent and allow a reliable identification of the ion structures. In all complex ions examined the planar TMHA ligands are oriented perpendicular to each other around the metal ion, leading to a tetrahedral coordination sphere in which aluminium interacts with the enolate oxygen and heteroaryl nitrogen atoms available in each of the bidentate ligands.
Directory of Open Access Journals (Sweden)
Rena R. Timirualeeva
2015-01-01
Full Text Available The article describes the methodology of modeling andstructuring of business networks theory. Accounting ofenvironmental factors mega-, macro- and mesolevels, theinternal state of the managed system and the error management command execution by control system implemented inthis. The proposed methodology can improve the quality of enterprise management of resort complex through a moreﬂexible response to changes in the parameters of the internaland external environments.
The sintering behavior of close-packed spheres
DEFF Research Database (Denmark)
Bjørk, Rasmus; Tikare, V.; Frandsen, Henrik Lund
2012-01-01
The sintering behavior of close-packed spheres is investigated using a numerical model. The investigated systems are the body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed spheres (hcp). The sintering behavior is found to be ideal, with no grain growth until full dens...
Statistical equilibria of the coupled barotropic flow and shallow water flow on a rotating sphere
Ding, Xueru
The motivation of this research is to build equilibrium statistical models that can apply to explain two enigmatic phenomena in the atmospheres of the solar system's planets: (1) the super-rotation of the atmospheres of slowly-rotating terrestrial planets---namely Venus and Titan, and (2) the persistent anticyclonic large vortex storms on the gas giants, such as the Great Red Spot (GRS) on Jupiter. My thesis is composed of two main parts: the first part focuses on the statistical equilibrium of the coupled barotropic vorticity flow (non-divergent) on a rotating sphere; the other one has to do with the divergent shallow water flow rotating sphere system. The statistical equilibria of these two systems are simulated in a wide range of parameter space by Monte Carlo methods based on recent energy-relative enstrophy theory and extended energy-relative enstrophy theory. These kind of models remove the low temperatures defect in the old classical doubly canonical energy-enstrophy theory which cannot support any phase transitions. The other big difference of our research from previous work is that we work on the coupled fluid-sphere system, which consists of a rotating high density rigid sphere, enveloped by a thin shell of fluid. The sphere is considered to have infinite mass and angular momentum; therefore, it can serve as a reservoir of angular momentum. Unlike the fluid sphere system itself, the coupled fluid sphere system allows for the exchange of angular momentum between the atmosphere and the solid planet. This exchange is the key point in any model that is expected to capture coherent structures such as the super-rotation and GRS-like vortices problems in planetary atmospheres. We discovered that slowly-rotating planets can have super-rotation at high energy state. All known slowly-rotating cases in the solar system---Venus and Titan---have super-rotation. Moreover, we showed that the anticyclonicity in the GRS-like structures is closely associated with the
Extensive nuclear sphere generation in the human Alzheimer's brain.
Kolbe, Katharina; Bukhari, Hassan; Loosse, Christina; Leonhardt, Gregor; Glotzbach, Annika; Pawlas, Magdalena; Hess, Katharina; Theiss, Carsten; Müller, Thorsten
2016-12-01
Nuclear spheres are protein aggregates consisting of FE65, TIP60, BLM, and other yet unknown proteins. Generation of these structures in the cellular nucleus is putatively modulated by the amyloid precursor protein (APP), either by its cleavage or its phosphorylation. Nuclear spheres were preferentially studied in cell culture models and their existence in the human brain had not been known. Existence of nuclear spheres in the human brain was studied using immunohistochemistry. Cell culture experiments were used to study regulative mechanisms of nuclear sphere generation. The comparison of human frontal cortex brain samples from Alzheimer's disease (AD) patients to age-matched controls revealed a dramatically and highly significant enrichment of nuclear spheres in the AD brain. Costaining demonstrated that neurons are distinctly affected by nuclear spheres, but astrocytes never are. Nuclear spheres were predominantly found in neurons that were negative for threonine 668 residue in APP phosphorylation. Cell culture experiments revealed that JNK3-mediated APP phosphorylation reduces the amount of sphere-positive cells. The study suggests that nuclear spheres are a new APP-derived central hallmark of AD, which might be of crucial relevance for the molecular mechanisms in neurodegeneration.
Hiemstra, T.; Riemsdijk, van W.H.; Rossberg, A.; Ulrich, K.
2009-01-01
The adsorption of uranyl (UO22+) on ferrihydrite has been evaluated with the charge distribution (CD) model for systems covering a very large range of conditions, i.e. pH, ionic strength, CO2 pressure, U(VI) concentration, and loading. Modeling suggests that uranyl forms bidentate inner sphere compl
Beltz, W F; Kesäniemi, Y A; Howard, B V; Grundy, S M
1985-01-01
To quantify more precisely the metabolism of apolipoprotein B (apo B) in human beings, an integrated model was developed for the analysis of the isotope kinetics of apo B in very low density lipoproteins (VLDL), intermediate density lipoproteins (IDL), and low density lipoproteins (LDL). The experimental basis for model development was a series of 30 triple-isotope studies in which patients received autologous 131I-VLDL, 125I-IDL, and [3H]glycerol as a precursor of VLDL triglycerides. The currently proposed model contains the following components: (a) a VLDL delipidation cascade that has a variable number of subcompartments, (b) a slowly catabolized pool of VLDL, (c) an IDL compartment consisting of two closely connected subcompartments, one of which is outside the immediate circulation, and (d) a two-compartment subsystem for LDL. Because mass data indicate that not all VLDL were converted to LDL, the model allows for irreversible removal of apo B from VLDL (or IDL) subsystems. It accounts for apparent "direct" input of LDL by postulating an early, rapidly metabolized compartment of VLDL that is converted directly to IDL. The model appears to be consistent with specific activity curves from the current triple-isotope studies and with present concepts of lipoprotein physiology; it also can be used to quantify pathways of lipoprotein apo B transport in normal and abnormal states. PMID:4031063
Random packing of spheres in Menger sponge.
Cieśla, Michał; Barbasz, Jakub
2013-06-07
Random packing of spheres inside fractal collectors of dimension 2 algorithm. The paper focuses mainly on the measurement of random packing saturation limit. Additionally, scaling properties of density autocorrelations in the obtained packing are analyzed. The RSA kinetics coefficients are also measured. Obtained results allow to test phenomenological relation between random packing saturation density and collector dimension. Additionally, performed simulations together with previously obtained results confirm that, in general, the known dimensional relations are obeyed by systems having non-integer dimension, at least for d < 3.
Energy Technology Data Exchange (ETDEWEB)
Tabacchi, G; Hutter, J; Mundy, C
2005-04-07
A combined linear response--frozen electron density model has been implemented in a molecular dynamics scheme derived from an extended Lagrangian formalism. This approach is based on a partition of the electronic charge distribution into a frozen region described by Kim-Gordon theory, and a response contribution determined by the instaneous ionic configuration of the system. The method is free from empirical pair-potentials and the parameterization protocol involves only calculations on properly chosen subsystems. They apply this method to a series of alkali halides in different physical phases and are able to reproduce experimental structural and thermodynamic properties with an accuracy comparable to Kohn-Sham density functional calculations.
Theoretical and Experimental Study of Scattering of a Plane Wave by an Inhomogeneous Plasma Sphere
Institute of Scientific and Technical Information of China (English)
SONG Fa-Lun; CAO Jin-Xiang; WANG Ge; WANG Yan; ZHU Ying; ZHU Jian; WANG Liang; NIU Tian-Ye
2006-01-01
@@ Scattering of electromagnetic waves by an inhomogeneous plasma sphere has been studied theoretically and experimentally. The offset angles of electromagnetic waves caused by the plasma sphere have been observed experimentally. The effects of the electromagnetic wave frequency and plasma density on the offset angle are discussed. The plasma density is estimated with the offset angle.
Bulk and wetting phenomena in a colloidal mixture of hard spheres and platelets
Harnau, L.; Dietrich, S.
2004-01-01
Density functional theory is used to study binary colloidal fluids consisting of hard spheres and thin platelets in their bulk and near a planar hard wall. This system exhibits liquid-liquid coexistence of a phase that is rich in spheres (poor in platelets) and a phase that is poor in spheres (rich in platelets). For the mixture near a planar hard wall, we find that the phase rich in spheres wets the wall completely upon approaching the liquid demixing binodal from the sphere-poor phase, prov...
Energy Technology Data Exchange (ETDEWEB)
Ruge, J.; Li, Y.; McCormick, S.F. [and others
1994-12-31
The formulation and time discretization of problems in meteorology are often tailored to the type of efficient solvers available for use on the discrete problems obtained. A common procedure is to formulate the problem so that a constant (or latitude-dependent) coefficient Poisson-like equation results at each time step, which is then solved using spectral methods. This both limits the scope of problems that can be handled and requires linearization by forward extrapolation of nonlinear terms, which, in turn, requires filtering to control noise. Multigrid methods do not suffer these limitations, and can be applied directly to systems of nonlinear equations with variable coefficients. Here, a global barotropic semi-Lagrangian model, developed by the authors, is presented which results in a system of three coupled nonlinear equations to be solved at each time step. A multigrid method for the solution of these equations is described, and results are presented.
Zebib, A.; Schubert, G.; Dein, J. L.; Paliwal, R. C.
1983-01-01
The influence of shell size and mode of heating on the behavior and stability of axisymmetric, infinite Prandtl number convection in a spherical geometry is studied. Heating from within and below features convection onset governed by a self-adjoint system of equations and boundary conditions. For heating only from within or from below, linearized equations and boundary conditions are non-self-adjoint. Identification of the parameter which initiates the departure from self-adjointness, together with the properties of the self-adjoint solution, provide a basis for calculating the heat transfer characteristics of the non-self-adjoint situations. The investigations are an effort to develop a model for heat transfer in planetary interiors. Further development of the technique by modifying the Galerkin method by the introduction of diagonal mode truncation is suggested to permit the consideration of higher values of the Rayleigh numbers, i.e., those more commensurate with terrestrial planet mantles.
Directory of Open Access Journals (Sweden)
Aleksandr Vladimirovich Dorzhdeev
2015-12-01
Full Text Available The article is devoted to building up a financial and mathematical model and designing the appropriate procedure of forming the quota, directed to the payroll of the vocational education teaching staff under the circumstances of normative-per capita financing. Nowadays the given problem occurred after the implementation of normative-per capita financing system is one of the most urgent and complicated problems. The procedures used in many educational institutions are outdated, based on a totally hourly basis and don’t meet the modern requirements of the educational economics and financial management. The approach, suggested in the article, not only solves many financial problems of educational institutions but also reveals problem areas, unprofitable educational programs, resolves optimization tasks, and proposes the algorithm of making the appropriate managerial decisions. Besides, the article describes the distribution procedure of the teaching staff payroll among structural subdivisions of the vocational educational institutions. In the context of the given model, financing should be implemented in proportion to the part of the structural subdivision in the educational process. This part is determined on the basis of the education financial plan of the current academic year of each educational program in this educational institution. In addition, the part of each structural subdivision is determined as the sum of parts of the respective subjects of the educational plan. The suggested procedure promotes the optimization of managing financial performance of vocational educational institutions, provides the opportunity of implementing individual contracts with the teaching staff, and using a number of other modern approaches to financial management of educational institutions.
Thielscher, Axel; Kammer, Thomas
2002-11-01
A fundamental problem of transcranial magnetic stimulation (TMS) is determining the site and size of the stimulated cortical area. In the motor system, the most common procedure for this is motor mapping. The obtained two-dimensional distribution of coil positions with associated muscle responses is used to calculate a center of gravity on the skull. However, even in motor mapping the exact stimulation site on the cortex is not known and only rough estimates of its size are possible. We report a new method which combines physiological measurements with a physical model used to predict the electric field induced by the TMS coil. In four subjects motor responses in a small hand muscle were mapped with 9-13 stimulation sites at the head perpendicular to the central sulcus in order to keep the induced current direction constant in a given cortical region of interest. Input-output functions from these head locations were used to determine stimulator intensities that elicit half-maximal muscle responses. Based on these stimulator intensities the field distribution on the individual cortical surface was calculated as rendered from anatomical MR data. The region on the cortical surface in which the different stimulation sites produced the same electric field strength (minimal variance, 4.2 +/- 0.8%.) was determined as the most likely stimulation site on the cortex. In all subjects, it was located at the lateral part of the hand knob in the motor cortex. Comparisons of model calculations with the solutions obtained in this manner reveal that the stimulated cortex area innervating the target muscle is substantially smaller than the size of the electric field induced by the coil. Our results help to resolve fundamental questions raised by motor mapping studies as well as motor threshold measurements.
DEFF Research Database (Denmark)
Herceg, Matija; Artemieva, Irina; Thybo, Hans
2014-01-01
and by introducing variations into the crustal structure which corresponds to the uncertainty of its resolution by highquality and low-quality seismic models. We examine the propagation of these uncertainties into determinations of lithospheric mantle density. Given a relatively small range of expected density......We present a regional model for the density structure of the North American upper mantle. The residual mantle gravity anomalies are based on gravity data derived from the GOCE geopotential models with crustal correction to the gravity field being calculated from a regional crustal model. We analyze...... how uncertainties and errors in the crustal model propagate from crustal densities to mantle residual gravity anomalies and the density model of the upper mantle. Uncertainties in the residual upper (lithospheric) mantle gravity anomalies result from several sources: (i) uncertainties in the velocity-density...
Gerzen, T.; Feltens, J.; Jakowski, N.; Galkin, I.; Reinisch, B.; Zandbergen, R.
2016-09-01
The electron density of the topside ionosphere and the plasmasphere contributes essentially to the overall Total Electron Content (TEC) budget affecting Global Navigation Satellite Systems (GNSS) signals. The plasmasphere can cause half or even more of the GNSS range error budget due to ionospheric propagation errors. This paper presents a comparative study of different plasmasphere and topside ionosphere data aiming at establishing an appropriate database for plasmasphere modelling. We analyze electron density profiles along the geomagnetic field lines derived from the Imager for Magnetopause-to-Aurora Global Exploration (IMAGE) satellite/Radio Plasma Imager (RPI) records of remote plasma sounding with radio waves. We compare these RPI profiles with 2D reconstructions of the topside ionosphere and plasmasphere electron density derived from GNSS based TEC measurements onboard the Challenging Minisatellite Payload (CHAMP) satellite. Most of the coincidences between IMAGE profiles and CHAMP reconstructions are detected in the region with L-shell between 2 and 5. In general the CHAMP reconstructed electron densities are below the IMAGE profile densities, with median of the CHAMP minus IMAGE residuals around -588 cm-3. Additionally, a comparison is made with electron densities derived from passive radio wave RPI measurements onboard the IMAGE satellite. Over the available 2001-2005 period of IMAGE measurements, the considered combined data from the active and passive RPI operations cover the region within a latitude range of ±60°N, all longitudes, and an L-shell ranging from 1.2 to 15. In the coincidence regions (mainly 2 ⩽ L ⩽ 4), we check the agreement between available active and passive RPI data. The comparison shows that the measurements are well correlated, with a median residual of ∼52 cm-3. The RMS and STD values of the relative residuals are around 22% and 21% respectively. In summary, the results encourage the application of IMAGE RPI data for
Martinez, P.; Kasper, M.; Costille, A.; Sauvage, J. F.; Dohlen, K.; Puget, P.; Beuzit, J. L.
2013-06-01
Context. Observing sequences have shown that the major noise source limitation in high-contrast imaging is the presence of quasi-static speckles. The timescale on which quasi-static speckles evolve is determined by various factors, mechanical or thermal deformations, among others. Aims: Understanding these time-variable instrumental speckles and, especially, their interaction with other aberrations, referred to as the pinning effect, is paramount for the search for faint stellar companions. The temporal evolution of quasi-static speckles is, for instance, required for quantifying the gain expected when using angular differential imaging (ADI) and to determining the interval on which speckle nulling techniques must be carried out. Methods: Following an early analysis of a time series of adaptively corrected, coronagraphic images obtained in a laboratory condition with the high-order test bench (HOT) at ESO Headquarters, we confirm our results with new measurements carried out with the SPHERE instrument during its final test phase in Europe. The analysis of the residual speckle pattern in both direct and differential coronagraphic images enables the characterization of the temporal stability of quasi-static speckles. Data were obtained in a thermally actively controlled environment reproducing realistic conditions encountered at the telescope. Results: The temporal evolution of the quasi-static wavefront error exhibits a linear power law, which can be used to model quasi-static speckle evolution in the context of forthcoming high-contrast imaging instruments, with implications for instrumentation (design, observing strategies, data reduction). Such a model can be used for instance to derive the timescale on which non-common path aberrations must be sensed and corrected. We found in our data that quasi-static wavefront error increases with ~0.7 Å per minute.
Helium and Hydrogen Adsorbed on Spheres and Cylinders
Hernández, E. S.; Szybisz, L.
2014-07-01
We examine the metastable and unstable regimes of condensation of superfluid helium and parahydrogen on spheres and cylinders at finite temperatures, employing finite range density functionals. The goal is to compare calculations of sizes and spreads of films at the onset of metastability and of instability with the predictions of a simple phenomenological model that contemplates the curvature of the substrate. We have focused on two cases, helium on nanospheres and nanocylinders of different materials, and hydrogen on fullerenes. We are able to locate the onset of metastability and of spinodal instability in the adsorption isotherms of every sample and to extract the width of the condensed fluid. It is shown that the predictions of the so-called simple model agree surprisingly well with the more elaborate calculations.
Li, Q; Li, X J
2012-01-01
Owing to its conceptual simplicity and computational efficiency, the pseudopotential multiphase lattice Boltzmann (LB) model has attracted significant attention since its emergence. In this work, we aim to extend the pseudopotential LB model to the simulations of multiphase flows at large density ratio and relatively high Reynolds number. First, based on our recent work [Li et al., Phys. Rev. E. 86, 016709 (2012)], an improved forcing scheme is proposed for the multiple-relaxation-time (MRT) pseudopotential LB model in order to achieve thermodynamic consistency and large density ratio in the model. Next, through investigating the effects of the parameter a in the Carnahan-Starling equation of state, we find that, as compared with a = 1, a = 0.25 is capable of greatly reducing the magnitude of the spurious currents at large density ratio. Furthermore, it is found that a lower liquid viscosity can be gained in the pseudopotential LB model by increasing the kinematic viscosity ratio between the vapor and liquid ...
Assessing climate model software quality: a defect density analysis of three models
Directory of Open Access Journals (Sweden)
J. Pipitone
2012-08-01
Full Text Available A climate model is an executable theory of the climate; the model encapsulates climatological theories in software so that they can be simulated and their implications investigated. Thus, in order to trust a climate model, one must trust that the software it is built from is built correctly. Our study explores the nature of software quality in the context of climate modelling. We performed an analysis of defect reports and defect fixes in several versions of leading global climate models by collecting defect data from bug tracking systems and version control repository comments. We found that the climate models all have very low defect densities compared to well-known, similarly sized open-source projects. We discuss the implications of our findings for the assessment of climate model software trustworthiness.
Densities and isothermal compressibilities of ionic liquids - Modelling and application
DEFF Research Database (Denmark)
Abildskov, Jens; Ellegaard, Martin Dela; O’Connell, J.P.
2010-01-01
Two corresponding-states forms have been developed for direct correlation function integrals in liquids to represent pressure effects on the volume of ionic liquids over wide ranges of temperature and pressure. The correlations can be analytically integrated from a chosen reference density to pro...
The importance of spatial models for estimating the strength of density dependence
DEFF Research Database (Denmark)
Thorson, James T.; Skaug, Hans J.; Kristensen, Kasper;
2014-01-01
Identifying the existence and magnitude of density dependence is one of the oldest concerns in ecology. Ecologists have aimed to estimate density dependence in population and community data by fitting a simple autoregressive (Gompertz) model for density dependence to time series of abundance...... for an entire population. However, it is increasingly recognized that spatial heterogeneity in population densities has implications for population and community dynamics. We therefore adapt the Gompertz model to approximate local densities over continuous space instead of population-wide abundance......, and to allow productivity to vary spatially. Using simulated data generated from a spatial model, we show that the conventional (nonspatial) Gompertz model will result in biased estimates of density dependence, e.g., identifying oscillatory dynamics when not present. By contrast, the spatial Gompertz model...
Entanglement entropy for the n-sphere
Casini, H
2010-01-01
We calculate the entanglement entropy for a sphere and a massless scalar field in any dimensions. The reduced density matrix is expressed in terms of the infinitesimal generator of conformal transformations keeping the sphere fixed. The problem is mapped to the one of a thermal gas in a hyperbolic space and solved by the heat kernel approach. The coefficient of the logarithmic term in the entropy for 2 and 4 spacetime dimensions are in accordance with previous numerical and analytical results. In particular, the four dimensional result, together with the one reported by Solodukhin, gives support to the Ryu-Takayanagi holographic anzats. We also find there is no logarithmic contribution to the entropy for odd space time dimensions.
Squeeze flow between a sphere and a textured wall
Energy Technology Data Exchange (ETDEWEB)
Chastel, T.; Mongruel, A., E-mail: anne.mongruel@upmc.fr [Physique et Mécanique des Milieux Hétérogènes, UMR 7636 CNRS–ESPCI, Université Pierre et Marie Curie–Université Paris-Diderot, 10 rue Vauquelin, 75231 Paris Cedex 05 (France)
2016-02-15
The motion of a millimetric sphere, translating in a viscous fluid towards a wettable textured wall, is investigated experimentally. The textures consist of square arrays of cylindrical or square micro-pillars, the height, width, and spacing of which are varied, keeping the periodicity small compared to the sphere radius. An interferometric device is used to measure the sphere vertical displacement, for distances between the sphere and the base of the pillars smaller than 0.1 sphere radius, and with a resolution of 200 nm. At a given distance from the top of the pillars, the sphere velocity is found to be significantly larger than the corresponding velocity for a smooth solid wall. A squeeze flow model of two adjacent fluid layers is developed in the lubrication approximation, one fluid layer having an effective viscosity that reflects the viscous dissipation through the array of pillars. The pressure field in the gap between the sphere and the textured surface is then used to obtain the drag force on the sphere and hence its velocity. Adjustment of the model to the velocity measurements yields the effective viscosity for a given texture. Finally, a correlation between the effective viscosity and the geometry of the pillar array is proposed.
Large attractive depletion interactions in soft repulsive-sphere binary mixtures.
Cinacchi, Giorgio; Martínez-Ratón, Yuri; Mederos, Luis; Navascués, Guillermo; Tani, Alessandro; Velasco, Enrique
2007-12-07
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.
Projected current density comparison in tDCS block and smooth FE modeling.
Indahlastari, Aprinda; Chauhan, Munish; Sadleir, Rosalind J
2016-08-01
Current density distribution and projected current density calculation following transcranial direct current stimulation (tDCS) forward model in a human head were compared between two modeling pipelines: block and smooth. Block model was directly constructed from MRI voxel resolution and simulated in C. Smooth models underwent a boundary smoothing process by applying recursive Gaussian filters and simulated in COMSOL. Three smoothing levels were added to determine their effects on current density distribution compared to block models. Median current density percentage differences were calculated in anterior superior temporal gyrus (ASTG), hippocampus (HIP), inferior frontal gyrus (IFG), occipital lobes (OCC) and precentral gyrus (PRC) and normalized against a baseline value. A maximum of + 20% difference in median current density was found for three standard electrode montages: F3-RS, T7-T8 and Cz-Oz. Furthermore, median current density percentage differences in each montage target brain structures were found to be within + 7%. Higher levels of smoothing increased median current density percentage differences in T7-T8 and Cz-Oz target structures. However, while demonstrating similar trends in each montage, additional smoothing levels showed no clear relationship between their smoothing effects and calculated median current density in the five cortical structures. Finally, relative L2 error in reconstructed projected current density was found to be 17% and 21% for block and smooth pipelines, respectively. Overall, a block model workflow may be a more attractive alternative for simulating tDCS stimulation because involves a shorter modeling time and independence from commercial modeling platforms.
Generation of Spheres from Dental Epithelial Stem Cells
Natsiou, Despoina; Granchi, Zoraide; Mitsiadis, Thimios A.; Jimenez-Rojo, Lucia
2017-01-01
The in vitro three-dimensional sphere model has already been established as an important tool in fundamental sciences. This model facilitates the study of a variety of biological processes including stem cell/niche functions and tissue responses to injury and drugs. Here we describe the complete protocol for the in vitro formation of spheres originated from the epithelium of rodent incisors. In addition, we show that in these spheres cell proliferation is maintained, as well as the expression of several key molecules characterizing stem cells such as Sox2 and p63. These epithelial dentospheres could be used as an in vitro model system for stem cell research purposes. PMID:28154538
Anisotropic spheres with Van derWaals-type equation of state
Indian Academy of Sciences (India)
S Thirukkanesh; F C Ragel
2014-07-01
We study static spherically symmetric space-time to describe relativistic compact objects with anisotropic matter distribution and derive two classes of exact models to the Einstein–Maxwell system with a modified Van derWaals equation of state. We motivate a Van derWaals-type equation of state to physically signify a high-density domain of quark matter, and the generated exact solutions are shown to contain several classes of exact models reported previously that correspond to various physical scenarios. Geometrical analysis shows that the physical quantities are well behaved so that these models may be used to describe anisotropic charged compact spheres.
Ising low-temperature polynomials and hard-sphere gases on cubic lattices of general dimension
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
Kapcia, Konrad Jerzy; Robaszkiewicz, Stanisław
2016-11-01
The charge ordering is a phenomenon associated with inhomogeneous distribution of electron density occurring mostly in strongly correlated materials such as transition metal oxides or organic conductors. The extended Hubbard model (EHM) is one of the simplest model for description of this phenomenon. The full phase diagram of the EHM with intersite density-density interactions W1 and W2 (nearest- and next-nearest-neighbour, respectively) in the atomic limit as a function of the chemical potential has been derived in the variational approach, which treats the on-site interaction exactly and the intersite interactions within mean-field approximation. The results for arbitrary values of model parameters (in the two-sublattice assumption) reveal that the diagram has very complex structure including various (multi-)critical points. A variety of the transitions between different phases, in particular with long-range charge-order, has been found to occur on the diagram. The results presented are rigorous ones in the high-dimension limit for any W1 and W2 ≤ 0.
Bubble entrapment during sphere impact onto quiescent liquid surfaces
Marston, Jeremy
2011-06-20
We report observations of air bubble entrapment when a solid sphere impacts a quiescent liquid surface. Using high-speed imaging, we show that a small amount of air is entrapped at the bottom tip of the impacting sphere. This phenomenon is examined across a broad range of impact Reynolds numbers, 0.2 a Re = (DU0/Il) a 1.2\\' 105. Initially, a thin air pocket is formed due to the lubrication pressure in the air layer between the sphere and the liquid surface. As the liquid surface deforms, the liquid contacts the sphere at a finite radius, producing a thin sheet of air which usually contracts to a nearly hemispherical bubble at the bottom tip of the sphere depending on the impact parameters and liquid properties. When a bubble is formed, the final bubble size increases slightly with the sphere diameter, decreases with impact speed but appears independent of liquid viscosity. In contrast, for the largest viscosities tested herein, the entrapped air remains in the form of a sheet, which subsequently deforms upon close approach to the base of the tank. The initial contact diameter is found to conform to scalings based on the gas Reynolds number whilst the initial thickness of the air pocket or adimplea scales with a Stokes\\' number incorporating the influence of the air viscosity, sphere diameter and impact speed and liquid density. © 2011 Cambridge University Press.
The 'Sphere': A Dedicated Bifurcation Aneurysm Flow-Diverter Device.
Peach, Thomas; Cornhill, J Frederick; Nguyen, Anh; Riina, Howard; Ventikos, Yiannis
2014-01-01
We present flow-based results from the early stage design cycle, based on computational modeling, of a prototype flow-diverter device, known as the 'Sphere', intended to treat bifurcation aneurysms of the cerebral vasculature. The device is available in a range of diameters and geometries and is constructed from a single loop of NITINOL(®) wire. The 'Sphere' reduces aneurysm inflow by means of a high-density, patterned, elliptical surface that partially occludes the aneurysm neck. The device is secured in the healthy parent vessel by two armatures in the shape of open loops, resulting in negligible disruption of parent or daughter vessel flow. The device is virtually deployed in six anatomically accurate bifurcation aneurysms: three located at the Basilar tip and three located at the terminus bifurcation of the Internal Carotid artery (at the meeting of the middle cerebral and anterior cerebral arteries). Both steady state and transient flow simulations reveal that the device presents with a range of aneurysm inflow reductions, with mean flow reductions falling in the range of 30.6-71.8% across the different geometries. A significant difference is noted between steady state and transient simulations in one geometry, where a zone of flow recirculation is not captured in the steady state simulation. Across all six aneurysms, the device reduces the WSS magnitude within the aneurysm sac, resulting in a hemodynamic environment closer to that of a healthy vessel. We conclude from extensive CFD analysis that the 'Sphere' device offers very significant levels of flow reduction in a number of anatomically accurate aneurysm sizes and locations, with many advantages compared to current clinical cylindrical flow-diverter designs. Analysis of the device's mechanical properties and deployability will follow in future publications.
Multicomponent fluid of nonadditive hard spheres near a wall.
Fantoni, Riccardo; Santos, Andrés
2013-04-01
A recently proposed rational-function approximation [Phys. Rev. E 84, 041201 (2011)] for the structural properties of nonadditive hard spheres is applied to evaluate analytically (in Laplace space) the local density profiles of multicomponent nonadditive hard-sphere mixtures near a planar nonadditive hard wall. The theory is assessed by comparison with NVT Monte Carlo simulations of binary mixtures with a size ratio 1:3 in three possible scenarios: a mixture with either positive or negative nonadditivity near an additive wall, an additive mixture with a nonadditive wall, and a nonadditive mixture with a nonadditive wall. It is observed that, while the theory tends to underestimate the local densities at contact (especially in the case of the big spheres) it captures very well the initial decay of the densities with increasing separation from the wall and the subsequent oscillations.
Theoretical Modeling of Internal Hydraulic Jump in Density Currents
Firoozabadi, Bahar; Aryanfar, Asghar; Afshin, Hossein
2013-01-01
In this paper, we propose an analytical framework for internal hydraulic jumps. Density jumps or internal hydraulic jumps occur when a supper critical flow of water discharges into a stagnant layer of water with slightly different density. The approach used here is control volume method which is also used to analyze ordinary hydraulic jumps. The important difference here is that entrainment is taken into account. Using conservation equations with the aid of some simplifying assumptions we come to an equation that gives jump downstream height as function of jump upstream characteristics and the entrainment. To determine the magnitude of downstream height we use an experimental equation for calculating the entrainment. Finally we verify our framework by comparing the height that we gain from the derived equation with some experimental data.
Buckled graphene: A model study based on density functional theory
Khan, Mohammad A.
2010-09-01
We make use of ab initio calculations within density functional theory to investigate the influence of buckling on the electronic structure of single layer graphene. Our systematic study addresses a wide range of bond length and bond angle variations in order to obtain insights into the energy scale associated with the formation of ripples in a graphene sheet. © 2010 Elsevier B.V. All rights reserved.
Imaging spheres with general incident wavefronts using a dipole decomposition
Izen, Steven H.; Ovryn, Ben
1998-06-01
Although scattering for spheres with plane wave illumination was solved precisely by Mie in 1909, often it is of interest to image spheres with non-planar illumination. An extension of Mie theory which incorporates non-planar illumination requires knowledge of the coefficients for a spherical harmonic expansion of the incident wavefront about the center of the sphere. These coefficients have been determined for a few special cases, such as Gaussian beams, which have a relatively simple model. Using a vectorized Huygen's principle, a general vector wavefront can be represented as a superposition of dipole sources. We have computed the spherical wave function expansion coefficients of an arbitrarily placed dipole and hence the scattering from a sphere illuminated by a general wavefront can be computed. As a special case, Mie's solution of plane wave scattering was recovered. POtential applications include scattering with partially coherent illumination. Experimental results from the scattering from polystyrene spheres using Koehler illumination show agreement with numerical tests.
Consensus and Dissensus in the Public Sphere : How East Asian Associations Use Public
Salmenkari, T.M.
2014-01-01
Jürgen Habermas has developed a model describing how civil society can use the public sphere to influence politics. Habermas assumes that, because discourse in the public sphere is open, inclusive, anonymous, and autonomous, the public sphere is best setting in which to develop consensus about
Stoeckl, L.; Walther, M.; Schneider, A.; Yang, J.; Gaj, M.; Graf, T.
2013-12-01
The physical experiment of Stoeckl and Houben (2012)* was taken as a benchmark to compare results of calculations by several finite volume and finite element programs. In the experiment, an acrylic glass box was used to simulate a cross section of an infinite strip island. Degassed salt water (density 1021 kg m-3) was injected, saturating the sand from bottom to top. Fluorescent tracer dyes (uranine, eosine and indigotine) were used to mark infiltrating fresh water (density 997 kg m-3) from the top. While freshwater constantly infiltrated, saltwater was displaced and a freshwater lens started to develop until reaching equilibrium. The experiment was recorded and analyzed using fast motion mode. The numerical groundwater flow models used for comparison are Feflow, Spring, OpenGeoSys, d3f and HydroGeoSphere. All programs are capable to solve the partial differential equations of coupled flow and transport. To ensure highest level of comparison, the setups are defined as similar as possible: identical temporal and spatial resolutions are applied to all models (triangular grid with 14,432 elements and constant time steps of 8.64 s); furthermore, the same boundary conditions and parameters are used; finally, the output of each model is converted into the same format and post-processed in the open-source program ParaView. Transient as well as steady state flow fields and concentration distributions are compared. Capabilities of the different models are described, showing differences, limitations and advantages. The results show, that all models are capable to represent the benchmark to a high degree. Still, differences are observed, even by keeping the models as similar as possible. Some deviations may be explained by omitted processes, which cannot be represented in certain models, whereas other deviations may be explained by program-specific differences in solving the partial differential equations. * Stoeckl, L., Houben, G. (2012): Flow dynamics and age stratification
Divisive latent class modeling as a density estimation method for categorical data
van der Palm, D.W.; van der Ark, L.A.; Vermunt, J.K.
2016-01-01
Traditionally latent class (LC) analysis is used by applied researchers as a tool for identifying substantively meaningful clusters. More recently, LC models have also been used as a density estimation tool for categorical variables. We introduce a divisive LC (DLC) model as a density estimation too
A market model for stochastic smile: a conditional density approach
Zilber, A.
2005-01-01
The purpose of this paper is to introduce a new approach that allows to construct no-arbitrage market models of for implied volatility surfaces (in other words, stochastic smile models). That is to say, the idea presented here allows us to model prices of liquidly traded vanilla options as separate
Airship Model Tests in the Variable Density Wind Tunnel
Abbott, Ira H
1932-01-01
This report presents the results of wind tunnel tests conducted to determine the aerodynamic characteristics of airship models. Eight Goodyear-Zeppelin airship models were tested in the original closed-throat tunnel. After the tunnel was rebuilt with an open throat a new model was tested, and one of the Goodyear-Zeppelin models was retested. The results indicate that much may be done to determine the drag of airships from evaluations of the pressure and skin-frictional drags on models tested at large Reynolds number.
Density Functional Modelling of Elastic Properties of Elemental Semiconductors
Directory of Open Access Journals (Sweden)
M. Verma
2011-01-01
Full Text Available The expressions for bulk modulus, its first and second pressure derivatives for elemental semiconductors are derived using the ab initio pseudopotential approach to the total crystal energy within the framework of local Density Functional formalism. The expression for the second pressure derivative of the bulk modulus for four-fold crystal structures are derived for the first time within the pseudopotential framework. The computed results for the semiconductors under study are very close to the available experimental data and will be useful in the study of equation of states.
Simulation of High Density Pedestrian Flow: Microscopic Model
Dridi, Mohamed H
2015-01-01
In recent years modelling crowd and evacuation dynamics has become very important, with increasing huge numbers of people gathering around the world for many reasons and events. The fact that our global population grows dramatically every year and the current public transport systems are able to transport large amounts of people, heightens the risk of crowd panic or crush. Pedestrian models are based on macroscopic or microscopic behaviour. In this paper, we are interested in developing models that can be used for evacuation control strategies. This model will be based on microscopic pedestrian simulation models, and its evolution and design requires a lot of information and data. The people stream will be simulated, based on mathematical models derived from empirical data about pedestrian flows. This model is developed from image data bases, so called empirical data, taken from a video camera or data obtained using human detectors. We consider the individuals as autonomous particles interacting through socia...
Domkin, Konstantin
2005-01-01
Correct description of the material behaviour is an extra challenge in simulation of the materials processing and manufacturing processes such as metal forming. Material models must account for varying strain, strain rate and temperature, and changing microstructure. This study is devoted to the physically based models of metal plasticity - dislocation density models, their numerical implementation and parameter identification. The basic concepts of dislocation density modelling are introduce...
Low Velocity Sphere Impact of a Soda Lime Silicate Glass
Energy Technology Data Exchange (ETDEWEB)
Wereszczak, Andrew A [ORNL; Fox, Ethan E [ORNL; Morrissey, Timothy G [ORNL; Vuono, Daniel J [ORNL
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.
Impact of particle density and initial volume on mathematical compression models
DEFF Research Database (Denmark)
Sonnergaard, Jørn
2000-01-01
on the derived apparent yield pressures. Substances with ionic bonds or macromolecular materials with amorphous structures do not show this dependency on the particle density. The influence of density is demonstrated by performing non-linear regression on the Heckel equation where the optimal particle density...... equations. The problems are illustrated by investigations on compaction profiles of 17 materials with different molecular structures and particle densities. It is shown that the particle density of materials with covalent bonds in the Heckel model acts as a key parameter with a dominating influence...
ON GALACTIC DENSITY MODELING IN THE PRESENCE OF DUST EXTINCTION
Energy Technology Data Exchange (ETDEWEB)
Bovy, Jo [Department of Astronomy and Astrophysics, University of Toronto, 50 St. George Street, Toronto, ON, M5S 3H4 (Canada); Rix, Hans-Walter; Schlafly, Edward F. [Max-Planck-Institut für Astronomie, Königstuhl 17, D-69117 Heidelberg (Germany); Green, Gregory M.; Finkbeiner, Douglas P., E-mail: bovy@astro.utoronto.ca [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States)
2016-02-20
Inferences about the spatial density or phase-space structure of stellar populations in the Milky Way require a precise determination of the effective survey volume. The volume observed by surveys such as Gaia or near-infrared spectroscopic surveys, which have good coverage of the Galactic midplane region, is highly complex because of the abundant small-scale structure in the three-dimensional interstellar dust extinction. We introduce a novel framework for analyzing the importance of small-scale structure in the extinction. This formalism demonstrates that the spatially complex effect of extinction on the selection function of a pencil-beam or contiguous sky survey is equivalent to a low-pass filtering of the extinction-affected selection function with the smooth density field. We find that the angular resolution of current 3D extinction maps is sufficient for analyzing Gaia sub-samples of millions of stars. However, the current distance resolution is inadequate and needs to be improved by an order of magnitude, especially in the inner Galaxy. We also present a practical and efficient method for properly taking the effect of extinction into account in analyses of Galactic structure through an effective selection function. We illustrate its use with the selection function of red-clump stars in APOGEE using and comparing a variety of current 3D extinction maps.
On Galactic density modeling in the presence of dust extinction
Bovy, Jo; Green, Gregory M; Schlafly, Edward F; Finkbeiner, Douglas P
2015-01-01
Inferences about the spatial density or phase-space structure of stellar populations in the Milky Way require a precise determination of the effective survey volume. The volume observed by surveys such as Gaia or near-infrared spectroscopic surveys, which have good coverage of the Galactic mid-plane region, is highly complex because of the abundant small-scale structure in the three-dimensional interstellar dust extinction. We introduce a novel framework for analyzing the importance of small-scale structure in the extinction. This formalism demonstrates that the spatially-complex effect of extinction on the selection function of a pencil-beam or contiguous sky survey is equivalent to a low-pass filtering of the extinction-affected selection function with the smooth density field. We find that the angular resolution of current 3D extinction maps is sufficient for analyzing Gaia sub-samples of millions of stars. However, the current distance resolution is inadequate and needs to be improved by an order of magni...
Directory of Open Access Journals (Sweden)
K. Jourde
2015-04-01
Full Text Available This paper examines how the resolution of small-scale geological density models is improved through the fusion of information provided by gravity measurements and density muon radiographies. Muon radiography aims at determining the density of geological bodies by measuring their screening effect on the natural flux of cosmic muons. Muon radiography essentially works like medical X-ray scan and integrates density information along elongated narrow conical volumes. Gravity measurements are linked to density by a 3-D integration encompassing the whole studied domain. We establish the mathematical expressions of these integration formulas – called acquisition kernels – and derive the resolving kernels that are spatial filters relating the true unknown density structure to the density distribution actually recovered from the available data. The resolving kernels approach allows to quantitatively describe the improvement of the resolution of the density models achieved by merging gravity data and muon radiographies. The method developed in this paper may be used to optimally design the geometry of the field measurements to perform in order to obtain a given spatial resolution pattern of the density model to construct. The resolving kernels derived in the joined muon/gravimetry case indicate that gravity data are almost useless to constrain the density structure in regions sampled by more than two muon tomography acquisitions. Interestingly the resolution in deeper regions not sampled by muon tomography is significantly improved by joining the two techniques. The method is illustrated with examples for La Soufrière of Guadeloupe volcano.
Energy Technology Data Exchange (ETDEWEB)
Martinez-Gonzalez, E.; Sanz, J.L. (Cantabria Universidad, Santander (Spain))
1991-01-01
The nonlinear evolution of matter density fluctuations in the universe is studied. The Zeldovich solution is applied to the quasi-linear regime, and a model to stop the fluctuations from growing in the very nonlinear regime is considered. The model is based in the virialization of collapsing pancakes. The density contrast of a typical pancake at the time it starts to relax is given for universes with different values of Omega. With this model, it is possible to calculate the probability density of the final density fluctuations. Results on the normalization of the power spectrum of the initial density fluctuations are given as a function of Omega. Predictions of the model on the filling factor of superclusters and voids are compared with observations. 37 refs.
Liquid bridge force between two unequal-sized spheres or a sphere and a plane
Institute of Scientific and Technical Information of China (English)
You chuan Chen; Yong zhi Zhao; Hong li Gao; Jin yang Zheng
2011-01-01
Liquid bridge force acting between wet particles is an important property in particle characterization.This paper deals with liquid bridge force between either two unequal-sized spherical particles or a sphere and a flat plate under conditions where gravitational effect arising from bridge distortion is negligible.In order to calculate the force of the liquid bridge efficiently and accurately,expressions of liquid configuration and liquid bridge force were derived by building a mechanical model,which assumes the liquid bridge to be circular in shape between either two unequal-sized spheres or a sphere and a plane.To assess the accuracy of the numerical results of the calculated liquid bridge forces,they were compared to the published experimental data.
Isentropic Spheres in General Relativity
Humi, Mayer
2016-01-01
Astrophysical gas clouds undergo thermodynamically irreversible processes and emit heat to their surroundings. Due the emission of this heat one can envision an idealized situation in which gas entropy remains (almost) constant. With this motivation in mind we derive in this paper interior solutions to the Einstein equations of General Relativity for spheres which consist of isentropic gas. In particular we investigate solutions in which the mass distribution inside the sphere has several shells. Such spheres might be considered an early stage for the formation of a "solar system".
Institute of Scientific and Technical Information of China (English)
张培林; 吴定海; 王怀光; 王正军; 王国德
2012-01-01
After analyzing the disadvantage of unsupervised training of support vector data description ( SVDD) , combining the advantage of optimal separation hyper-plane and SVDD, and inducing the supervision of information of negative class, a hyper-sphere classification model with optimal separation was proposed. With one minimum hyper-sphere containing positive class and one hyper-sphere as big as possible excluding negative class, the decision hyper-sphere was made to separate itself and the two hyper-spheres with the max distance to improve the model's description accuracy and generalization performance. To remove the interference of bad points, a method with double proportion control parameter was proposed, it could realize soft separation. Simulation results of Banana and UCI data sets showed that the proposed model has better classification performance than SVDD.%针对支持向量描述只考虑目标类训练样本,结合支持向量机最优分类超平面和支持向量描述的思想,引入了异常样本信息的监督机制,建立了最优间隔超球分类器模型,以一个最小的超球包含目标类训练样本和一个尽可能大的超球体将非目标样本隔离在超球体外,使决策超球面与该两个超球面以最大间隔分离,保证了描述精度和泛化性能,同时,为更好地排除对两类样本数据分布中野点的干扰,提出了一种双控制比例因子的控制方法,更加灵活地实现软间隔分类,仿真实例验证了该分类器具有比SVDD更好的分类性能.
The Finite Deformation Dynamic Sphere Test Problem
Energy Technology Data Exchange (ETDEWEB)
Versino, Daniele [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Brock, Jerry Steven [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2016-09-02
In this manuscript we describe test cases for the dynamic sphere problem in presence of finite deformations. The spherical shell in exam is made of a homogeneous, isotropic or transverse isotropic material and elastic and elastic-plastic material behaviors are considered. Twenty cases, (a) to (t), are thus defined combining material types and boundary conditions. The inner surface radius, the outer surface radius and the material's density are kept constant for all the considered test cases and their values are r_{i} = 10mm, r_{o} = 20mm and p = 1000Kg/m^{3} respectively.
Confined disordered strictly jammed binary sphere packings
Chen, D.; Torquato, S.
2015-12-01
Disordered jammed packings under confinement have received considerably less attention than their bulk counterparts and yet arise in a variety of practical situations. In this work, we study binary sphere packings that are confined between two parallel hard planes and generalize the Torquato-Jiao (TJ) sequential linear programming algorithm [Phys. Rev. E 82, 061302 (2010), 10.1103/PhysRevE.82.061302] to obtain putative maximally random jammed (MRJ) packings that are exactly isostatic with high fidelity over a large range of plane separation distances H , small to large sphere radius ratio α , and small sphere relative concentration x . We find that packing characteristics can be substantially different from their bulk analogs, which is due to what we term "confinement frustration." Rattlers in confined packings are generally more prevalent than those in their bulk counterparts. We observe that packing fraction, rattler fraction, and degree of disorder of MRJ packings generally increase with H , though exceptions exist. Discontinuities in the packing characteristics as H varies in the vicinity of certain values of H are due to associated discontinuous transitions between different jammed states. When the plane separation distance is on the order of two large-sphere diameters or less, the packings exhibit salient two-dimensional features; when the plane separation distance exceeds about 30 large-sphere diameters, the packings approach three-dimensional bulk packings. As the size contrast increases (as α decreases), the rattler fraction dramatically increases due to what we call "size-disparity" frustration. We find that at intermediate α and when x is about 0.5 (50-50 mixture), the disorder of packings is maximized, as measured by an order metric ψ that is based on the number density fluctuations in the direction perpendicular to the hard walls. We also apply the local volume-fraction variance στ2(R ) to characterize confined packings and find that these
Institute of Scientific and Technical Information of China (English)
Ali Mohammad Rashidi
2012-01-01
The correlation between the grain size of electrodeposited coatings and the current densities was modeled by considering galvanostatic conditions. In order to test the model by experimental results, nanocrystalline (NC) nickel samples were deposited at different current densities using a Watts bath. The grain size of the deposits was evaluated by X-ray diffraction (XRD) technique. Model predictions were validated by finding a curve being the best-fit to the experimental results which were gathered from literature for different NC coatings in addition to those data measured in this research for NC nickel coatings. According to our model, the variation of grain size with the reciprocal of the current density follows a power law. A good agreement between the experimental results and model predictions was observed which indicated that the derived analytical model is applicable for producting the nanocrystalline electrodeposits with the desired grain size by controling current density.
Microsopic nuclear level densities by the shell model Monte Carlo method
Alhassid, Y; Gilbreth, C N; Nakada, H; Özen, C
2016-01-01
The configuration-interaction shell model approach provides an attractive framework for the calculation of nuclear level densities in the presence of correlations, but the large dimensionality of the model space has hindered its application in mid-mass and heavy nuclei. The shell model Monte Carlo (SMMC) method permits calculations in model spaces that are many orders of magnitude larger than spaces that can be treated by conventional diagonalization methods. We discuss recent progress in the SMMC approach to level densities, and in particular the calculation of level densities in heavy nuclei. We calculate the distribution of the axial quadrupole operator in the laboratory frame at finite temperature and demonstrate that it is a model-independent signature of deformation in the rotational invariant framework of the shell model. We propose a method to use these distributions for calculating level densities as a function of intrinsic deformation.
Large-Scale Forest Modeling: Deducing Stand Density from Inventory Data
Directory of Open Access Journals (Sweden)
Oskar Franklin
2012-01-01
Full Text Available While effects of thinning and natural disturbances on stand density play a central role for forest growth, their representation in large-scale studies is restricted by both model and data availability. Here a forest growth model was combined with a newly developed generic thinning model to estimate stand density and site productivity based on widely available inventory data (tree species, age class, volume, and increment. The combined model successfully coupled biomass, increment, and stand closure (=stand density/self-thinning limited stand density, as indicated by cross-validation against European-wide inventory data. The improvement in model performance attained by including variable stand closure among age cohorts compared to a fixed closure suggests that stand closure is an important parameter for accurate forest growth modeling also at large scales.
A Schematic Model For Density-Dependent Vector Meson Masses
Kim, Y; Brown, G E; Rho, M; Kim, Youngman; Rho, Mannque
1999-01-01
A schematic two-level model consisting of a "collective" bosonic state and an "elementary" meson is constructed that provides interpolation from a hadronic description (a la Rapp/Wambach) to B/R scaling for the description of properties of vector mesons in dense medium. The development is based on a close analogy to the degenerate schematic model of Brown for giant resonances in nuclei.
Directory of Open Access Journals (Sweden)
O. Pizio
2014-06-01
Full Text Available We investigate the electric double layer formed between charged walls of a slit-like pore and a solvent primitive model (SPM for electrolyte solution. The recently developed version of the weighted density functional approach for electrostatic interparticle interaction is applied to the study of the density profiles, adsorption and selectivity of adsorption of ions and solvent species. Our principal focus, however, is in the dependence of differential capacitance on the applied voltage, on the electrode and on the pore width. We discuss the properties of the model with respect to the behavior of a primitive model, i.e., in the absence of a hard-sphere solvent. We observed that the differential capacitance of the SPM on the applied electrostatic potential has the camel-like shape unless the ion fraction is high. Moreover, it is documented that the dependence of differential capacitance of the SPM on the pore width is oscillatory, which is in close similarity to the primitive model.
Integration of the Density Gradient Model into a General Purpose Device Simulator
Directory of Open Access Journals (Sweden)
Andreas Wettstein
2002-01-01
Full Text Available A generalized Density Gradient model has been implemented into the device simulator Dessis [DESSIS 7.0 reference manual (2001. ISE Integrated Systems Engineering AG, Balgriststrasse 102, CH-8008 Zürich].We describe the multidimensional discretization scheme used and discuss our modifications to the standard Density Gradient model. The evaluation of the model shows good agreement to results obtained by the Schro¨dinger equation.
Determination of the Density of Energy States in a Quantizing Magnetic Field for Model Kane
Directory of Open Access Journals (Sweden)
G. Gulyamov
2016-01-01
Full Text Available For nonparabolic dispersion law determined by the density of the energy states in a quantizing magnetic field, the dependence of the density of energy states on temperature in quantizing magnetic fields is studied with the nonquadratic dispersion law. Experimental results obtained for PbTe were analyzed using the suggested model. The continuous spectrum of the energy density of states at low temperature is transformed into discrete Landau levels.
Demixing in binary mixtures of apolar and dipolar hard spheres.
Almarza, N G; Lomba, E; Martín, C; Gallardo, A
2008-12-21
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. Ganzenmuller and P. J. Camp, J. Chem. Phys. 126, 191104 (2007)].
On the revolution of heavenly spheres
Copernicus, Nicolaus
1995-01-01
The Ptolemaic system of the universe, with the earth at the center, had held sway since antiquity as authoritative in philosophy, science, and church teaching. Following his observations of the heavenly bodies, Nicolaus Copernicus (1473-1543) abandoned the geocentric system for a heliocentric model, with the sun at the center. His remarkable work, On the Revolutions of Heavenly Spheres, stands as one of the greatest intellectual revolutions of all time, and profoundly influenced, among others, Galileo and Sir Isaac Newton.
Simulation of Flow for an Immersed Sphere
2016-12-01
Computational Fluid Dynamics, Sphere flow, LES, Large Eddy Simulation, LDKM, Locally Dynamic subgrid Kinetic energy Model MUSCL, Monotone Upstream centered...the same scales, we may be unable to accurately describe both boundary and initial conditions. For this reason , we back away from the fine scale and...terms add variables to the system. For that reason , we must add equations to the system to affect closure and admit a solution. Section 4 introduces
Paricaud, P
2015-07-28
A simple modification of the Boublík-Mansoori-Carnahan-Starling-Leland equation of state is proposed for an application to the metastable disordered region. The new model has a positive pole at the jamming limit and can accurately describe the molecular simulation data of pure hard in the stable fluid region and along the metastable branch. The new model has also been applied to binary mixtures hard spheres, and an excellent description of the fluid and metastable branches can be obtained by adjusting the jamming packing fraction. The new model for hard sphere mixtures can be used as the repulsive term of equations of state for real fluids. In this case, the modified equations of state give very similar predictions of thermodynamic properties as the original models, and one can remove the multiple liquid density roots observed for some versions of the Statistical Associating Fluid Theory (SAFT) at low temperature without any modification of the dispersion term.
Energy Technology Data Exchange (ETDEWEB)
Paricaud, P. [Unité de Chimie et Procédés, ENSTA-ParisTech, Université Paris-Saclay, 828 Boulevard des Maréchaux, 91762 Palaiseau cedex (France)
2015-07-28
A simple modification of the Boublík-Mansoori-Carnahan-Starling-Leland equation of state is proposed for an application to the metastable disordered region. The new model has a positive pole at the jamming limit and can accurately describe the molecular simulation data of pure hard in the stable fluid region and along the metastable branch. The new model has also been applied to binary mixtures hard spheres, and an excellent description of the fluid and metastable branches can be obtained by adjusting the jamming packing fraction. The new model for hard sphere mixtures can be used as the repulsive term of equations of state for real fluids. In this case, the modified equations of state give very similar predictions of thermodynamic properties as the original models, and one can remove the multiple liquid density roots observed for some versions of the Statistical Associating Fluid Theory (SAFT) at low temperature without any modification of the dispersion term.
Density and viscosity modeling and characterization of heavy oils
DEFF Research Database (Denmark)
Cisneros, Sergio; Andersen, Simon Ivar; Creek, J
2005-01-01
are widely used within the oil industry. Further work also established the basis for extending the approach to heavy oils. Thus, in this work, the extended f-theory approach is further discussed with the study and modeling of a wider set of representative heavy reservoir fluids with viscosities up...... to thousands of mPa center dot s. Essential to the presented extended approach for heavy oils is, first, achievement of accurate P nu T results for the EOS-characterized fluid. In particular, it has been determined that, for accurate viscosity modeling of heavy oils, a compressibility correction in the way...
A Weakly Nonlinear Model for the Damping of Resonantly Forced Density Waves in Dense Planetary Rings
Lehmann, Marius; Schmidt, Jürgen; Salo, Heikki
2016-10-01
In this paper, we address the stability of resonantly forced density waves in dense planetary rings. Goldreich & Tremaine have already argued that density waves might be unstable, depending on the relationship between the ring’s viscosity and the surface mass density. In the recent paper Schmidt et al., we have pointed out that when—within a fluid description of the ring dynamics—the criterion for viscous overstability is satisfied, forced spiral density waves become unstable as well. In this case, linear theory fails to describe the damping, but nonlinearity of the underlying equations guarantees a finite amplitude and eventually a damping of the wave. We apply the multiple scale formalism to derive a weakly nonlinear damping relation from a hydrodynamical model. This relation describes the resonant excitation and nonlinear viscous damping of spiral density waves in a vertically integrated fluid disk with density dependent transport coefficients. The model consistently predicts density waves to be (linearly) unstable in a ring region where the conditions for viscous overstability are met. Sufficiently far away from the Lindblad resonance, the surface mass density perturbation is predicted to saturate to a constant value due to nonlinear viscous damping. The wave’s damping lengths of the model depend on certain input parameters, such as the distance to the threshold for viscous overstability in parameter space and the ground state surface mass density.
Dyson Spheres around White Dwarfs
Semiz, İbrahim
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.
Data compression on the sphere
McEwen, J D; Eyers, D M; 10.1051/0004-6361/201015728
2011-01-01
Large data-sets defined on the sphere arise in many fields. In particular, recent and forthcoming observations of the anisotropies of the cosmic microwave background (CMB) made on the celestial sphere contain approximately three and fifty mega-pixels respectively. The compression of such data is therefore becoming increasingly important. We develop algorithms to compress data defined on the sphere. A Haar wavelet transform on the sphere is used as an energy compression stage to reduce the entropy of the data, followed by Huffman and run-length encoding stages. Lossless and lossy compression algorithms are developed. We evaluate compression performance on simulated CMB data, Earth topography data and environmental illumination maps used in computer graphics. The CMB data can be compressed to approximately 40% of its original size for essentially no loss to the cosmological information content of the data, and to approximately 20% if a small cosmological information loss is tolerated. For the topographic and il...
From Ewald sphere to Ewald shell in nonlinear optics
Huang, Huang; Huang, Cheng-Ping; Zhang, Chao; Hong, Xu-Hao; Zhang, Xue-Jin; Qin, Yi-Qiang; Zhu, Yong-Yuan
2016-07-01
Ewald sphere is a simple vector scheme to depict the X-ray Bragg diffraction in a crystal. A similar method, known as the nonlinear Ewald sphere, was employed to illustrate optical frequency conversion processes. We extend the nonlinear Ewald sphere to the Ewald shell construction. With the Ewald shell, a variety of quasi-phase-matching (QPM) effects, such as the collective envelope effect associated with multiple QPM resonances, the enhanced second- harmonic generation due to multiple reciprocal vectors etc., are suggested theoretically and verified experimentally. By rotating the nonlinear photonic crystal sample, the dynamic evolution of these QPM effects has also been observed, which agreed well with the Ewald shell model.
Stochastic hard-sphere dynamics for hydrodynamics of nonideal fluids.
Donev, Aleksandar; Alder, Berni J; Garcia, Alejandro L
2008-08-15
A novel stochastic fluid model is proposed with a nonideal structure factor consistent with compressibility, and adjustable transport coefficients. This stochastic hard-sphere dynamics (SHSD) algorithm is a modification of the direct simulation Monte Carlo algorithm and has several computational advantages over event-driven hard-sphere molecular dynamics. Surprisingly, SHSD results in an equation of state and a pair correlation function identical to that of a deterministic Hamiltonian system of penetrable spheres interacting with linear core pair potentials. The fluctuating hydrodynamic behavior of the SHSD fluid is verified for the Brownian motion of a nanoparticle suspended in a compressible solvent.
Modeling dendrite density from magnetic resonance diffusion measurements
DEFF Research Database (Denmark)
Jespersen, Sune Nørhøj; Kroenke, CD; Østergaard, Leif;
2007-01-01
Diffusion-weighted imaging (DWI) provides a noninvasive tool to probe tissue microstructure. We propose a simplified model of neural cytoarchitecture intended to capture the essential features important for water diffusion as measured by NMR. Two components contribute to the NMR signal in this mo...
Modeling of Homogeneous Condensation in High Density Thruster Plumes
2010-06-04
the nucleation process starting from the dimer formation and up using the elementary kinetic theory for cluster-cluster and cluster-monomer collisions... Astrophysical Letters and Communications, Vol. 34, 1997, pp. 245-250. 33C. Borgnakke and P.S. Larsen, “Statistical collision model for Monte Carlo simulation
Thermospheric Mass Density Specification: Synthesis of Observations and Models
2013-10-21
A. F. Arellano (2009), The Data Assimilation Research Testbed: A community data assimilation facility, Bull. Am. Meteorol. Soc., 90, pp. 1283–1296...2349, doi:10.1002/jgra.50197. Evensen, G. (1994), Sequential data assimilation with a nonlinear quasigeostrophic model using Monte Carlo methods to
Wang-Landau algorithm for continuous models and joint density of states.
Zhou, Chenggang; Schulthess, T C; Torbrügge, Stefan; Landau, D P
2006-03-31
We present a modified Wang-Landau algorithm for models with continuous degrees of freedom. We demonstrate this algorithm with the calculation of the joint density of states of ferromagnet Heisenberg models and a model polymer chain. The joint density of states contains more information than the density of states of a single variable-energy, but is also much more time consuming to calculate. We present strategies to significantly speed up this calculation for large systems over a large range of energy and order parameter.
Wang-Landau Algorithm for Continuous Models and Joint Density of States
Zhou, Chenggang; Schulthess, T. C.; Torbrügge, Stefan; Landau, D. P.
2006-03-01
We present a modified Wang-Landau algorithm for models with continuous degrees of freedom. We demonstrate this algorithm with the calculation of the joint density of states of ferromagnet Heisenberg models and a model polymer chain. The joint density of states contains more information than the density of states of a single variable-energy, but is also much more time consuming to calculate. We present strategies to significantly speed up this calculation for large systems over a large range of energy and order parameter.
Automated volumetric breast density derived by shape and appearance modeling
Malkov, Serghei; Kerlikowske, Karla; Shepherd, John
2014-03-01
The image shape and texture (appearance) estimation designed for facial recognition is a novel and promising approach for application in breast imaging. The purpose of this study was to apply a shape and appearance model to automatically estimate percent breast fibroglandular volume (%FGV) using digital mammograms. We built a shape and appearance model using 2000 full-field digital mammograms from the San Francisco Mammography Registry with known %FGV measured by single energy absorptiometry method. An affine transformation was used to remove rotation, translation and scale. Principal Component Analysis (PCA) was applied to extract significant and uncorrelated components of %FGV. To build an appearance model, we transformed the breast images into the mean texture image by piecewise linear image transformation. Using PCA the image pixels grey-scale values were converted into a reduced set of the shape and texture features. The stepwise regression with forward selection and backward elimination was used to estimate the outcome %FGV with shape and appearance features and other system parameters. The shape and appearance scores were found to correlate moderately to breast %FGV, dense tissue volume and actual breast volume, body mass index (BMI) and age. The highest Pearson correlation coefficient was equal 0.77 for the first shape PCA component and actual breast volume. The stepwise regression method with ten-fold cross-validation to predict %FGV from shape and appearance variables and other system outcome parameters generated a model with a correlation of r2 = 0.8. In conclusion, a shape and appearance model demonstrated excellent feasibility to extract variables useful for automatic %FGV estimation. Further exploring and testing of this approach is warranted.
0-D Particle Balance Modeling for the Long-term Density Response and Control in KSTAR
Juhn, June-Woo; Hong, S. H.; Hahn, S. H.; Hwang, Y. S.; Kstar Team; Vest Team
2015-11-01
Long-term density response of KSTAR plasmas has been reproduced with a 0-D particle balance equations. The long-term response of density means at least a few seconds of the density decay time during the absent of fuels as well as the full discharge length of the KSTAR within the record of 47s. The model includes reactions between deuterium ions, atoms, molecules and wall contents based on the Maddion's model which is one of the most comprehensive 0-D particle balance and validated with the MAST experiments. In order to reflect the long term response, the model is modified including outgassing-like particle emission from the first walls as the form of wall contents over residence time i.e. Nw /τw . The model result in excellent agreement with the experimental density response basically in 0.3MA Ohmic limiter plasmas yielding the global particle confinement time τi about 30ms. The model also reproduces the density behavior in the higher Ip diverted plasmas, including ELMy H-modes with the explicit ELM density drop. The model can be used for the improvement of the density feedback control system by comparing the voltage-controlled gas puffing with flux-controlled one for example.
Energy Technology Data Exchange (ETDEWEB)
Sato, K.; Koide, Tomoi; Maruyama, Masahiro [Tohoku Univ., Faculty of Science, Sendai, Miyagi (Japan)
1999-08-01
There are various approaches to nonequilibrium system. We use the projection operator method investigated by F. Shibata and N. Hashitsume on the linear sigma model at finite temperature and density. We derive a differential equation of the time evolution for the order parameter and pion number density in chiral phase transition. (author)
Inhomogeneous quasistationary state of dense fluids of inelastic hard spheres.
Fouxon, Itzhak
2014-05-01
We study closed dense collections of freely cooling hard spheres that collide inelastically with constant coefficient of normal restitution. We find inhomogeneous states (ISs) where the density profile is spatially nonuniform but constant in time. The states are exact solutions of nonlinear partial differential equations that describe the coupled distributions of density and temperature valid when inelastic losses of energy per collision are small. The derivation is performed without modeling the equations' coefficients that are unknown in the dense limit (such as the equation of state) using only their scaling form specific for hard spheres. Thus the IS is the exact state of this dense many-body system. It captures a fundamental property of inelastic collections of particles: the possibility of preserving nonuniform temperature via the interplay of inelastic cooling and heat conduction that generalizes previous results. We perform numerical simulations to demonstrate that arbitrary initial state evolves to the IS in the limit of long times where the container has the geometry of the channel. The evolution is like a gas-liquid transition. The liquid condenses in a vanishing part of the total volume but takes most of the mass of the system. However, the gaseous phase, which mass grows only logarithmically with the system size, is relevant because its fast particles carry most of the energy of the system. Remarkably, the system self-organizes to dissipate no energy: The inelastic decay of energy is a power law [1+t/t(c)](-2), where t(c) diverges in the thermodynamic limit. This is reinforced by observing that for supercritical systems the IS coincide in most of the space with the steady states of granular systems heated at one of the walls. We discuss the relation of our results to the recently proposed finite-time singularity in other container's geometries.
Adiabatic density perturbations in a cosmological model with massive neutrinos
Jaroszynski, M.
Lifshitz (1946) has investigated the gravitational instability of a Friedmann Universe model. He treated the matter content of the universe as a single perfect fluid. In other studies, a two fluid approach was used to represent neutrinos and other kinds of matter separately. A distribution function was used by Peebles and Yu (1970), and also by Silk and Wilson (1980) to describe photons of the black-body background during and after the recombination of the primeval plasma. The approach used in the present investigation is similar, except for two differences. No collisional term is used in the kinetic equation, and massive particles are considered. A detailed description is provided of the method used to investigate the gravitational instability of a cosmological model with massive neutrinos. It is pointed out that the obtained results are preliminary. The final spectrum of perturbations is similar to those of Peebles and Yu (1970), and Wilson and Silk (1981).
Plasticity and Spall in High Density Polycrystals: Modeling and Simulation
2006-09-01
may 311 find more details in the references [2,3]. The kinematics of thermo- elastoplasticity within each phase of the bulk material is described...stress at the interface, and the remaining symbols entering Eq. (5) are material parameters. Upon damage initiation, the response of the degraded...which the damaged zone behaves as two free surfaces. NUMERICAL IMPLEMENTATION The constitutive models for the pure W and binder phases