Squeeze flow between a sphere and a textured wall

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chastel, T.; Mongruel, A., E-mail: anne.mongruel@upmc.fr

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 significantlymore » 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.« less

A note about Gaussian statistics on a sphere

NASA Astrophysics Data System (ADS)

Chave, Alan D.

2015-11-01

The statistics of directional data on a sphere can be modelled either using the Fisher distribution that is conditioned on the magnitude being unity, in which case the sample space is confined to the unit sphere, or using the latitude-longitude marginal distribution derived from a trivariate Gaussian model that places no constraint on the magnitude. These two distributions are derived from first principles and compared. The Fisher distribution more closely approximates the uniform distribution on a sphere for a given small value of the concentration parameter, while the latitude-longitude marginal distribution is always slightly larger than the Fisher distribution at small off-axis angles for large values of the concentration parameter. Asymptotic analysis shows that the two distributions only become equivalent in the limit of large concentration parameter and very small off-axis angle.

On approximate formulas for the electrostatic force between two conducting spheres

NASA Astrophysics Data System (ADS)

Sliško, Josip; Brito-Orta, Raúl A.

1998-04-01

A series expression for the electrostatic force between two charged conducting spheres having equal radii and charges is derived using the method of electrical images. This expression is a special case of that for two spheres with arbitrary charges and radii, found by Maxwell using zonal harmonics. Keeping in mind the use of approximate formulas for the interpretation of classroom measurements of the electrostatic force between spheres, we comment on two incorrect approximate formulas and examine the contribution of the first few non-Coulomb terms of the correct formula by comparing with values obtained using a computational approach.

Deconvolution of Raman spectroscopic signals for electrostatic, H-bonding, and inner-sphere interactions between ions and dimethyl phosphate in solution

PubMed Central

Christian, Eric L; Anderson, Vernon E.; Harris, Michael E

2011-01-01

Quantitative analysis of metal ion-phosphodiester interactions is a significant experimental challenge due to the complexities introduced by inner-sphere, outer-sphere (H-bonding with coordinated water), and electrostatic interactions that are difficult to isolate in solution studies. Here, we provide evidence that inner-sphere, H-bonding and electrostatic interactions between ions and dimethyl phosphate can be deconvoluted through peak fitting in the region of the Raman spectrum for the symmetric stretch of non-bridging phosphate oxygens (νsPO 2-). An approximation of the change in vibrational spectra due to different interaction modes is achieved using ions capable of all or a subset of the three forms of metal ion interaction. Contribution of electrostatic interactions to ion-induced changes to the Raman νsPO2- signal could be modeled by monitoring attenuation of νsPO2- in the presence of tetramethylammonium, while contribution of H-bonding and inner-sphere coordination could be approximated from the intensities of altered νsPO2- vibrational modes created by an interaction with ammonia, monovalent or divalent ions. A model is proposed in which discrete spectroscopic signals for inner-sphere, H-bonding, and electrostatic interactions are sufficient to account for the total observed change in νsPO2- signal due to interaction with a specific ion capable of all three modes of interaction. Importantly, the quantitative results are consistent with relative levels of coordination predicted from absolute electronegativity and absolute hardness of alkali and alkaline earth metals. PMID:21334281

Reliability of equivalent sphere model in blood-forming organ dose estimation

NASA Technical Reports Server (NTRS)

Shinn, Judy L.; Wilson, John W.; Nealy, John E.

1990-01-01

The radiation dose equivalents to blood-forming organs (BFO's) of the astronauts at the Martian surface due to major solar flare events are calculated using the detailed body geometry of Langley and Billings. The solar flare spectra of February 1956, November 1960, and August 1972 events are employed instead of the idealized Webber form. The detailed geometry results are compared with those based on the 5-cm sphere model which was used often in the past to approximate BFO dose or dose equivalent. Larger discrepancies are found for the later two events possibly due to the lower numbers of highly penetrating protons. It is concluded that the 5-cm sphere model is not suitable for quantitative use in connection with future NASA deep-space, long-duration mission shield design studies.

Sector and Sphere: the design and implementation of a high-performance data cloud

PubMed Central

Gu, Yunhong; Grossman, Robert L.

2009-01-01

Cloud computing has demonstrated that processing very large datasets over commodity clusters can be done simply, given the right programming model and infrastructure. In this paper, we describe the design and implementation of the Sector storage cloud and the Sphere compute cloud. By contrast with the existing storage and compute clouds, Sector can manage data not only within a data centre, but also across geographically distributed data centres. Similarly, the Sphere compute cloud supports user-defined functions (UDFs) over data both within and across data centres. As a special case, MapReduce-style programming can be implemented in Sphere by using a Map UDF followed by a Reduce UDF. We describe some experimental studies comparing Sector/Sphere and Hadoop using the Terasort benchmark. In these studies, Sector is approximately twice as fast as Hadoop. Sector/Sphere is open source. PMID:19451100

Measurement of the Casimir Force between Two Spheres

NASA Astrophysics Data System (ADS)

Garrett, Joseph L.; Somers, David A. T.; Munday, Jeremy N.

2018-01-01

Complex interaction geometries offer a unique opportunity to modify the strength and sign of the Casimir force. However, measurements have traditionally been limited to sphere-plate or plate-plate configurations. Prior attempts to extend measurements to different geometries relied on either nanofabrication techniques that are limited to only a few materials or slight modifications of the sphere-plate geometry due to alignment difficulties of more intricate configurations. Here, we overcome this obstacle to present measurements of the Casimir force between two gold spheres using an atomic force microscope. Force measurements are alternated with topographical scans in the x -y plane to maintain alignment of the two spheres to within approximately 400 nm (˜1 % of the sphere radii). Our experimental results are consistent with Lifshitz's theory using the proximity force approximation (PFA), and corrections to the PFA are bounded using nine sphere-sphere and three sphere-plate measurements with spheres of varying radii.

Combustion of a Polymer (PMMA) Sphere in Microgravity

NASA Technical Reports Server (NTRS)

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

1999-01-01

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

Black-sphere approximation to nuclei and its application to reactions with neutron-rich nuclei

NASA Astrophysics Data System (ADS)

Kohama, Akihisa; Iida, Kei; Oyamatsu, Kazuhiro

2013-09-01

We briefly review our formula for a proton-nucleus total reaction cross section, σR, constructed in the black-sphere approximation of nuclei, in which a nucleus is viewed as a "black" sphere of radius "a". An extension to reactions involving neutron-rich nuclei is also reported.

Swimming of a linear chain with a cargo in an incompressible viscous fluid with inertia

NASA Astrophysics Data System (ADS)

Felderhof, B. U.

2017-01-01

An approximation to the added mass matrix of an assembly of spheres is constructed on the basis of potential flow theory for situations where one sphere is much larger than the others. In the approximation, the flow potential near a small sphere is assumed to be dipolar, but near the large sphere it involves all higher order multipoles. The analysis is based on an exact result for the potential of a magnetic dipole in the presence of a superconducting sphere. Subsequently, the approximate added mass hydrodynamic interactions are used in a calculation of the swimming velocity and rate of dissipation of linear chain structures consisting of a number of small spheres and a single large one, with account also of frictional hydrodynamic interactions. The results derived for periodic swimming on the basis of a kinematic approach are compared with the bilinear theory, valid for small amplitude of stroke, and with the numerical solution of the approximate equations of motion. The calculations interpolate over the whole range of scale number between the friction-dominated Stokes limit and the inertia-dominated regime.

Comparison of experimentally and theoretically determined radiation characteristics of photosynthetic microorganisms

NASA Astrophysics Data System (ADS)

Kandilian, Razmig; Pruvost, Jérémy; Artu, Arnaud; Lemasson, Camille; Legrand, Jack; Pilon, Laurent

2016-05-01

This paper aims to experimentally and directly validate a recent theoretical method for predicting the radiation characteristics of photosynthetic microorganisms. Such predictions would facilitate light transfer analysis in photobioreactors (PBRs) to control their operation and to maximize their production of biofuel and other high-value products. The state of the art experimental method can be applied to microorganisms of any shape and inherently accounts for their non-spherical and heterogeneous nature. On the other hand, the theoretical method treats the microorganisms as polydisperse homogeneous spheres with some effective optical properties. The absorption index is expressed as the weighted sum of the pigment mass absorption cross-sections and the refractive index is estimated based on the subtractive Kramers-Kronig relationship given an anchor refractive index and wavelength. Here, particular attention was paid to green microalgae Chlamydomonas reinhardtii grown under nitrogen-replete and nitrogen-limited conditions and to Chlorella vulgaris grown under nitrogen-replete conditions. First, relatively good agreement was found between the two methods for determining the mass absorption and scattering cross-sections and the asymmetry factor of both nitrogen-replete and nitrogen-limited C. reinhardtii with the proper anchor point. However, the homogeneous sphere approximation significantly overestimated the absorption cross-section of C. vulgaris cells. The latter were instead modeled as polydisperse coated spheres consisting of an absorbing core containing pigments and a non-absorbing but strongly refracting wall made of sporopollenin. The coated sphere approximation gave good predictions of the experimentally measured integral radiation characteristics of C. vulgaris. In both cases, the homogeneous and coated sphere approximations predicted resonance in the scattering phase function that were not observed experimentally. However, these approximations were sufficiently accurate to predict the fluence rate and local rate of photon absorption in PBRs.

Thermal Diffusivity and Thermal Conductivity of Dispersed Glass Sphere Composites Over a Range of Volume Fractions

NASA Astrophysics Data System (ADS)

Carson, James K.

2018-06-01

Glass spheres are often used as filler materials for composites. Comparatively few articles in the literature have been devoted to the measurement or modelling of thermal properties of composites containing glass spheres, and there does not appear to be any reported data on the measurement of thermal diffusivities over a range of filler volume fractions. In this study, the thermal diffusivities of guar-gel/glass sphere composites were measured using a transient comparative method. The addition of the glass beads to the gel increased the thermal diffusivity of the composite, more than doubling the thermal diffusivity of the composite relative to the diffusivity of the gel at the maximum glass volume fraction of approximately 0.57. Thermal conductivities of the composites were derived from the thermal diffusivity measurements, measured densities and estimated specific heat capacities of the composites. Two approaches to modelling the effective thermal diffusivity were considered.

Self-assembled clusters of spheres related to spherical codes.

PubMed

Phillips, Carolyn L; Jankowski, Eric; Marval, Michelle; Glotzer, Sharon C

2012-10-01

We consider the thermodynamically driven self-assembly of spheres onto the surface of a central sphere. This assembly process forms self-limiting, or terminal, anisotropic clusters (N-clusters) with well-defined structures. We use Brownian dynamics to model the assembly of N-clusters varying in size from two to twelve outer spheres and free energy calculations to predict the expected cluster sizes and shapes as a function of temperature and inner particle diameter. We show that the arrangements of outer spheres at finite temperatures are related to spherical codes, an ideal mathematical sequence of points corresponding to the densest possible sphere packings. We demonstrate that temperature and the ratio of the diameters of the inner and outer spheres dictate cluster morphology. We present a surprising result for the equilibrium structure of a 5-cluster, for which the square pyramid arrangement is preferred over a more symmetric structure. We show this result using Brownian dynamics, a Monte Carlo simulation, and a free energy approximation. Our results suggest a promising way to assemble anisotropic building blocks from constituent colloidal spheres.

Structure and anomalous solubility for hard spheres in an associating lattice gas model.

PubMed

Szortyka, Marcia M; Girardi, Mauricio; Henriques, Vera B; Barbosa, Marcia C

2012-08-14

In this paper we investigate the solubility of a hard-sphere gas in a solvent modeled as an associating lattice gas. The solution phase diagram for solute at 5% is compared with the phase diagram of the original solute free model. Model properties are investigated both through Monte Carlo simulations and a cluster approximation. The model solubility is computed via simulations and is shown to exhibit a minimum as a function of temperature. The line of minimum solubility (TmS) coincides with the line of maximum density (TMD) for different solvent chemical potentials, in accordance with the literature on continuous realistic models and on the "cavity" picture.

A numerical approximation to the elastic properties of sphere-reinforced composites

NASA Astrophysics Data System (ADS)

Segurado, J.; Llorca, J.

2002-10-01

Three-dimensional cubic unit cells containing 30 non-overlapping identical spheres randomly distributed were generated using a new, modified random sequential adsortion algorithm suitable for particle volume fractions of up to 50%. The elastic constants of the ensemble of spheres embedded in a continuous and isotropic elastic matrix were computed through the finite element analysis of the three-dimensional periodic unit cells, whose size was chosen as a compromise between the minimum size required to obtain accurate results in the statistical sense and the maximum one imposed by the computational cost. Three types of materials were studied: rigid spheres and spherical voids in an elastic matrix and a typical composite made up of glass spheres in an epoxy resin. The moduli obtained for different unit cells showed very little scatter, and the average values obtained from the analysis of four unit cells could be considered very close to the "exact" solution to the problem, in agreement with the results of Drugan and Willis (J. Mech. Phys. Solids 44 (1996) 497) referring to the size of the representative volume element for elastic composites. They were used to assess the accuracy of three classical analytical models: the Mori-Tanaka mean-field analysis, the generalized self-consistent method, and Torquato's third-order approximation.

Hydration entropy change from the hard sphere model.

PubMed

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. Copyright 2002 Elsevier Science B.V.

Approximate analysis of the formation of a buoyant solid sphere in a supercooled melt

DOE Office of Scientific and Technical Information (OSTI.GOV)

Solomon, A.D.; Wilson, D.G.; Alexiades, V.

1986-03-01

A mathematical model is presented for the idealized formation and development of a buoyant sphere solidifying in an infinite pool of supercooled liquid. The solid and liquid are of the same pure material and the solid is less dense than the liquid. Initially the liquid is at a uniform temperature that is below its equilibrium freezing temperature, T/sub cr/, but above the so called hypercooled temperature, T/sub cr/ - H/c/sub L/. Here H and c/sub L/ are the latent heat of solidification and the specific heat of the liquid, respectively. An approximate solution is derived based on the Megerlin approximationmore » method. 11 refs.« less

Light absorption by coated nano-sized carbonaceous particles

NASA Astrophysics Data System (ADS)

Gangl, Martin; Kocifaj, Miroslav; Videen, Gorden; Horvath, Helmuth

The optical properties of strongly absorbing soot particles coated by transparent material are investigated experimentally and described by several modeling approaches. Soot is produced by spark discharge and passed through a Sinclair-La Mer generator where non-absorbing carnauba wax is condensed onto it to obtain internal soot-wax mixtures in a controlled way. Measurements of the extinction and volume scattering coefficient show an amplification of absorption by a factor of approximately 1.8. This behavior was described by different approaches of internally mixed materials for the modal diameters of the measured size distributions: concentric-sphere model, effective medium approximations and heterogeneous ellipsoids. The concentric-sphere model describes the absorption increase quantitatively; and hence, it is chosen to be applied to the entire particle population in the size distribution. The growth of the soot particles by condensing wax is described by a simplified growth model to estimate the different contributions of several soot particle diameters to the overall absorption cross-section.

Volumes and surface areas of pendular rings

USGS Publications Warehouse

Rose, W.

1958-01-01

A packing of spheres is taken as a suitable model of porous media. The packing may be regular and the sphere size may be uniform, but in general, both should be random. Approximations are developed to give the volumes and surface areas of pendular rings that exist at points of sphere contact. From these, the total free volume and interfacial specific surface area are derived as expressive of the textural character of the packing. It was found that the log-log plot of volumes and surface areas of pendular rings vary linearly with the angle made by the line joining the sphere centers and the line from the center of the largest sphere to the closest edge of the pendular ring. The relationship, moreover, was found not to be very sensitive to variation in the size ratio of the spheres in contact. It also was found that the addition of pendular ring material to various sphere packings results in an unexpected decrease in the surface area of the boundaries that confine the resulting pore space. ?? 1958 The American Institute of Physics.

Simple heuristic for the viscosity of polydisperse hard spheres

NASA Astrophysics Data System (ADS)

Farr, Robert S.

2014-12-01

We build on the work of Mooney [Colloids Sci. 6, 162 (1951)] to obtain an heuristic analytic approximation to the viscosity of a suspension any size distribution of hard spheres in a Newtonian solvent. The result agrees reasonably well with rheological data on monodispserse and bidisperse hard spheres, and also provides an approximation to the random close packing fraction of polydisperse spheres. The implied packing fraction is less accurate than that obtained by Farr and Groot [J. Chem. Phys. 131(24), 244104 (2009)], but has the advantage of being quick and simple to evaluate.

Plasma versus Drude Modeling of the Casimir Force: Beyond the Proximity Force Approximation

NASA Astrophysics Data System (ADS)

Hartmann, Michael; Ingold, Gert-Ludwig; Neto, Paulo A. Maia

2017-07-01

We calculate the Casimir force and its gradient between a spherical and a planar gold surface. Significant numerical improvements allow us to extend the range of accessible parameters into the experimental regime. We compare our numerically exact results with those obtained within the proximity force approximation (PFA) employed in the analysis of all Casimir force experiments reported in the literature so far. Special attention is paid to the difference between the Drude model and the dissipationless plasma model at zero frequency. It is found that the correction to PFA is too small to explain the discrepancy between the experimental data and the PFA result based on the Drude model. However, it turns out that for the plasma model, the corrections to PFA lie well outside the experimental bound obtained by probing the variation of the force gradient with the sphere radius [D. E. Krause et al., Phys. Rev. Lett. 98, 050403 (2007), 10.1103/PhysRevLett.98.050403]. The corresponding corrections based on the Drude model are significantly smaller but still in violation of the experimental bound for small distances between plane and sphere.

Interaction and charge transfer between dielectric spheres: Exact and approximate analytical solutions.

PubMed

Lindén, Fredrik; Cederquist, Henrik; Zettergren, Henning

2016-11-21

We present exact analytical solutions for charge transfer reactions between two arbitrarily charged hard dielectric spheres. These solutions, and the corresponding exact ones for sphere-sphere interaction energies, include sums that describe polarization effects to infinite orders in the inverse of the distance between the sphere centers. In addition, we show that these exact solutions may be approximated by much simpler analytical expressions that are useful for many practical applications. This is exemplified through calculations of Langevin type cross sections for forming a compound system of two colliding spheres and through calculations of electron transfer cross sections. We find that it is important to account for dielectric properties and finite sphere sizes in such calculations, which for example may be useful for describing the evolution, growth, and dynamics of nanometer sized dielectric objects such as molecular clusters or dust grains in different environments including astrophysical ones.

Beyond-proximity-force-approximation Casimir force between two spheres at finite temperature

NASA Astrophysics Data System (ADS)

Bimonte, Giuseppe

2018-04-01

A recent experiment [J. L. Garrett, D. A. T. Somers, and J. N. Munday, Phys. Rev. Lett. 120, 040401 (2018), 10.1103/PhysRevLett.120.040401] measured for the first time the gradient of the Casimir force between two gold spheres at room temperature. The theoretical analysis of the data was carried out using the standard proximity force approximation (PFA). A fit of the data, using a parametrization of the force valid for the sphere-plate geometry, was used by the authors to place a bound on deviations from PFA. Motivated by this work, we compute the Casimir force between two gold spheres at finite temperature. The semianalytic formula for the Casimir force that we construct is valid for all separations, and can be easily used to interpret future experiments in both the sphere-plate and sphere-sphere configurations. We describe the correct parametrization of the corrections to PFA for two spheres that should be used in data analysis.

Wind Tunnel Investigation of a Balloon as Decelerator at Mach Numbers from 1.47 to 2.50

NASA Technical Reports Server (NTRS)

McShera, John T.; Keyes, J. Wayne

1961-01-01

A wind-tunnel investigation was conducted to study the characteristics of a towed spherical balloon as a drag device at Mach numbers from 1.47 to 2.50, Reynolds numbers from 0.36 x 10(exp 6) to 1.0 x 10(exp 6) , and angles of attack from -15 to 15 degrees. Tow-cable length was approximately 24 inches from asymmetric body to cone on the upstream side of the balloon. As the tow cable was lengthened the balloon reached a point in the test section where wall-reflected shocks intersected the balloon and caused severe oscillations. As a result, the tow cable broke and the inflatable balloon model was destroyed. Further tests used a model rigid plastic sphere 6.75 inches in diameter. Tow cable length was approximately 24 inches from asymmetric body to the upstream side of the sphere.

Using integrating spheres with wavelength modulation spectroscopy: effect of pathlength distribution on 2nd harmonic signals

NASA Astrophysics Data System (ADS)

Hodgkinson, J.; Masiyano, D.; Tatam, R. P.

2013-02-01

We have studied the effect on 2nd harmonic wavelength modulation spectroscopy of the use of integrating spheres as multipass gas cells. The gas lineshape becomes distorted at high concentrations, as a consequence of the exponential pathlength distribution of the sphere, introducing nonlinearity beyond that expected from the Beer-Lambert law. We have modelled this numerically for methane absorption at 1.651 μm, with gas concentrations in the range of 0-2.5 %vol in air. The results of this model compare well with experimental measurements. The nonlinearity for the 2 fWMS measurements is larger than that for direct scan measurements; if this additional effect were not accounted for, the resulting error would be approximately 20 % of the reading at a concentration of 2.5 %vol methane.

Outer-sphere Pb(II) adsorbed at specific surface sites on single crystal α-alumina

USGS Publications Warehouse

Bargar, John R.; Towle, Steven N.; Brown, Gordon E.; Parks, George A.

1996-01-01

Solvated Pb(II) ions were found to adsorb as structurally well-defined outer-sphere complexes at specific sites on the α-Al2O3 (0001) single crystal surface, as determined by grazing-incidence X-ray absorption fine structure (GI-XAFS) measurements. The XAFS results suggest that the distance between Pb(II) adions and the alumina surface is approximately 4.2 Å. In contrast, Pb(II) adsorbs as more strongly bound inner-sphere complexes on α-Al2O3 (102). The difference in reactivities of the two alumina surfaces has implications for modeling surface complexation reactions of contaminants in natural environments, catalysis, and compositional sector zoning of oxide crystals.

Two alternate proofs of Wang's lune formula for sparse distributed memory and an integral approximation

NASA Technical Reports Server (NTRS)

Jaeckel, Louis A.

1988-01-01

In Kanerva's Sparse Distributed Memory, writing to and reading from the memory are done in relation to spheres in an n-dimensional binary vector space. Thus it is important to know how many points are in the intersection of two spheres in this space. Two proofs are given of Wang's formula for spheres of unequal radii, and an integral approximation for the intersection in this case.

Light scattering by marine algae: two-layer spherical and nonspherical models

NASA Astrophysics Data System (ADS)

Quirantes, Arturo; Bernard, Stewart

2004-11-01

Light scattering properties of algae-like particles are modeled using the T-matrix for coated scatterers. Two basic geometries have been considered: off-centered coated spheres and centered spheroids. Extinction, scattering and absorption efficiencies, plus scattering in the backward plane, are compared to simpler models like homogeneous (Mie) and coated (Aden-Kerker) models. The anomalous diffraction approximation (ADA), of widespread use in the oceanographic light-scattering community, has also been used as a first approximation, for both homogeneous and coated spheres. T-matrix calculations show that some light scattering values, such as extinction and scattering efficiencies, have little dependence on particle shape, thus reinforcing the view that simpler (Mie, Aden-Kerker) models can be applied to infer refractive index (RI) data from absorption curves. The backscattering efficiency, on the other hand, is quite sensitive to shape. This calls into question the use of light scattering techniques where the phase function plays a pivotal role, and can help explain the observed discrepancy between theoretical and experimental values of the backscattering coefficient in observed in oceanic studies.

L(alpha)-induced two-photon absorption of visible light emitted from an O-type star by H2(+) ions located near the surface of the Stromgren sphere surrounding the star: A possible explanation for the diffuse interstellar absorption bands (DIDs)

NASA Technical Reports Server (NTRS)

Glownia, James H.; Sorokin, Peter P.

1994-01-01

In this paper, a new model is proposed to account for the DIB's (Diffuse Interstellar Bands). In this model, the DIB's result from a non-linear effect: resonantly-enhanced two-photon absorption of H(2+) ions located near the surface of the Stromgren sphere that surrounds an O- or B- type star. The strong light that is required to 'drive' the two-photon transition is provided by L(alpha) light emerging from the Stromgren sphere that bounds the H II region surrounding the star. A value of approximately 100 micro W/sq cm is estimated for the L(alpha) flux at the Stromgren radius, R(s), of a strong (O5) star. It is shown that a c.w. L(alpha) flux of this intensity should be sufficient to induce a few percent absorption for visible light radiated by the same star at a frequency (omega2) that completes an allowed two-photon transition, provided (1) the L(alpha) radiation happens to be nearly resonant with the frequency of a fully-allowed absorber transition that effectively represents the first step in the two-photon transition, and (2) an effective column density approximately 10(sup18)/sq cm of the absorber is present near the Stromgren sphere radius, R(sub s).

On the Concentration Gradient across a Spherical Source Washed by Slow Flow

PubMed Central

Jaffe, Lionel

1965-01-01

A model has been numerically analyzed to help interpret the orienting effects of flow upon cells. The model is a sphere steadily and uniformly emitting a diffusible stuff into a medium otherwise free of it and moving past with Stokes flow. Its properties depend primarily upon the Peclet number, Pe, equal to a · v∞/D, i.e., the sphere's radius, a, times the free stream speed, v∞, over the stuff's diffusion constant, D. As Pe rises, and washing becomes more effective, the average surface concentration, C̄s a falls (Figs. 2 and 5) and the residual material becomes relatively concentrated on the sphere's lee pole (Figs. 2 and 4). Specifically, as Pe rises from 0.1 to 1, the relative concentration gradient, G, rises from 0.7 to 5.0 per cent and to the point where it is rising at about 8 per cent per decade; by Pe 1000, G = 22.1 per cent. From Pe 1 through 1000, G/(1 - C̄s a), or the gradient per concentration deficiency remains at about 26 per cent suggesting that G approaches a ceiling of about 26 per cent. Also from Pe 1 through 1000, the average mass transfer co-efficient nearly equals that previously calculated for spheres maintaining constant surface concentration instead of flux. The complete differential equation without approximations, the Gauss-Seidel method, and an approximation for the outer boundary condition were used. PMID:14268954

Meshless collocation methods for the numerical solution of elliptic boundary valued problems the rotational shallow water equations on the sphere

NASA Astrophysics Data System (ADS)

Blakely, Christopher D.

This dissertation thesis has three main goals: (1) To explore the anatomy of meshless collocation approximation methods that have recently gained attention in the numerical analysis community; (2) Numerically demonstrate why the meshless collocation method should clearly become an attractive alternative to standard finite-element methods due to the simplicity of its implementation and its high-order convergence properties; (3) Propose a meshless collocation method for large scale computational geophysical fluid dynamics models. We provide numerical verification and validation of the meshless collocation scheme applied to the rotational shallow-water equations on the sphere and demonstrate computationally that the proposed model can compete with existing high performance methods for approximating the shallow-water equations such as the SEAM (spectral-element atmospheric model) developed at NCAR. A detailed analysis of the parallel implementation of the model, along with the introduction of parallel algorithmic routines for the high-performance simulation of the model will be given. We analyze the programming and computational aspects of the model using Fortran 90 and the message passing interface (mpi) library along with software and hardware specifications and performance tests. Details from many aspects of the implementation in regards to performance, optimization, and stabilization will be given. In order to verify the mathematical correctness of the algorithms presented and to validate the performance of the meshless collocation shallow-water model, we conclude the thesis with numerical experiments on some standardized test cases for the shallow-water equations on the sphere using the proposed method.

Light-scattering efficiency of starch acetate pigments as a function of size and packing density.

PubMed

Penttilä, Antti; Lumme, Kari; Kuutti, Lauri

2006-05-20

We study theoretically the light-scattering efficiency of paper coatings made of starch acetate pigments. For the light-scattering code we use a discrete dipole approximation method. The coating layer is assumed to consists of roughly equal-sized spherical pigments packed either at a packing density of 50% (large cylindrical slabs) or at 37% or 57% (large spheres). Because the scanning electron microscope images of starch acetate samples show either a particulate or a porous structure, we model the coatings in two complementary ways. The material can be either inside the constituent spheres (particulate case) or outside of those (cheeselike, porous medium). For the packing of our spheres we use either a simulated annealing or a dropping code. We can estimate, among other things, that the ideal sphere diameter is in the range 0.25-0.4 microm.

Light-scattering efficiency of starch acetate pigments as a function of size and packing density

NASA Astrophysics Data System (ADS)

Penttilä, Antti; Lumme, Kari; Kuutti, Lauri

2006-05-01

We study theoretically the light-scattering efficiency of paper coatings made of starch acetate pigments. For the light-scattering code we use a discrete dipole approximation method. The coating layer is assumed to consists of roughly equal-sized spherical pigments packed either at a packing density of 50% (large cylindrical slabs) or at 37% or 57% (large spheres). Because the scanning electron microscope images of starch acetate samples show either a particulate or a porous structure, we model the coatings in two complementary ways. The material can be either inside the constituent spheres (particulate case) or outside of those (cheeselike, porous medium). For the packing of our spheres we use either a simulated annealing or a dropping code. We can estimate, among other things, that the ideal sphere diameter is in the range 0.25-0.4 μm.

The role of large-scale eddies in the climate equilibrium. Part 2: Variable static stability

NASA Technical Reports Server (NTRS)

Zhou, Shuntai; Stone, Peter H.

1993-01-01

Lorenz's two-level model on a sphere is used to investigate how the results of Part 1 are modified when the interaction of the vertical eddy heat flux and static stability is included. In general, the climate state does not depend very much on whether or not this interaction is included, because the poleward eddy heat transport dominates the eddy forcing of mean temperature and wind fields. However, the climatic sensitivity is significantly affected. Compared to two-level model results with fixed static stability, the poleward eddy heat flux is less sensitive to the meridional temperature gradient and the gradient is more sensitive to the forcing. For example, the logarithmic derivative of the eddy flux with respect to the gradient has a slope that is reduced from approximately 15 on a beta-plane with fixed static stability and approximately 6 on a sphere with fixed static stability, to approximately 3 to 4 in the present model. This last result is more in line with analyses from observations. The present model also has a stronger baroclinic adjustment than that in Part 1, more like that in two-level beta-plane models with fixed static stability, that is, the midlatitude isentropic slope is very insensitive to the forcing, the diabatic heating, and the friction, unless the forcing is very weak.

Development of a Three-Dimensional Spectral Element Model for NWP: Idealized Simulations on the Sphere

NASA Astrophysics Data System (ADS)

Viner, K.; Reinecke, P. A.; Gabersek, S.; Flagg, D. D.; Doyle, J. D.; Martini, M.; Ryglicki, D.; Michalakes, J.; Giraldo, F.

2016-12-01

NEPTUNE: the Navy Environmental Prediction sysTem Using the NUMA*corE, is a 3D spectral element atmospheric model composed of a full suite of physics parameterizations and pre- and post-processing infrastructure with plans for data assimilation and coupling components to a variety of Earth-system models. This talk will focus on the initial struggles and solutions in adapting NUMA for stable and accurate integration on the sphere using both the deep atmosphere equations and a newly developed shallow-atmosphere approximation, as demonstrated through idealized test cases. In addition, details of the physics-dynamics coupling methodology will be discussed. NEPTUNE results for test cases from the 2016 Dynamical Core Model Intercomparison Project (DCMIP-2016) will be shown and discussed. *NUMA: Nonhydrostatic Unified Model of the Atmosphere; Kelly and Giraldo 2012, JCP

Inhomogeneous fluid of penetrable-spheres: Application of the random phase approximation

NASA Astrophysics Data System (ADS)

Xiang, Yan; Frydel, Derek

2017-05-01

The focus of the present work is the application of the random phase approximation (RPA), derived for inhomogeneous fluids [Frydel and Ma, Phys. Rev. E 93, 062112 (2016)], to penetrable-spheres. As penetrable-spheres transform into hard-spheres with increasing interactions, they provide an interesting case for exploring the RPA, its shortcomings, and limitations, the weak- versus the strong-coupling limit. Two scenarios taken up by the present study are a one-component and a two-component fluid with symmetric interactions. In the latter case, the mean-field contributions cancel out and any contributions from particle interactions are accounted for by correlations. The accuracy of the RPA for this case is the result of a somewhat lucky cancellation of errors.

Structure and effective interactions in three-component hard sphere liquids.

PubMed

König, A; Ashcroft, N W

2001-04-01

Complete and simple analytical expressions for the partial structure factors of the ternary hard sphere mixture are obtained within the Percus-Yevick approximation and presented as functions of relative packing fractions and relative hard sphere diameters. These solutions follow from the Laplace transform method as applied to multicomponent systems by Lebowitz [Phys. Rev. 133, A895 (1964)]. As an important application, we examine effective interactions in hard sphere liquid mixtures using the microscopic information contained in their partial structure factors. Thus the ensuring pair potential for an effective one-component system is obtained from the correlation functions by using an approximate inversion, and examples of effective potentials for three-component hard sphere mixtures are given. These mixtures may be of particular interest for the study of the packing aspects of melts that form glasses or quasicrystals, since noncrystalline solids often emerge from melts with at least three atomic constituents.

The structure and properties of a simple model mixture of amphiphilic molecules and ions at a solid surface

NASA Astrophysics Data System (ADS)

Pizio, O.; Sokołowski, S.; Sokołowska, Z.

2014-05-01

We investigate microscopic structure, adsorption, and electric properties of a mixture that consists of amphiphilic molecules and charged hard spheres in contact with uncharged or charged solid surfaces. The amphiphilic molecules are modeled as spheres composed of attractive and repulsive parts. The electrolyte component of the mixture is considered in the framework of the restricted primitive model (RPM). The system is studied using a density functional theory that combines fundamental measure theory for hard sphere mixtures, weighted density approach for inhomogeneous charged hard spheres, and a mean-field approximation to describe anisotropic interactions. Our principal focus is in exploring the effects brought by the presence of ions on the distribution of amphiphilic particles at the wall, as well as the effects of amphiphilic molecules on the electric double layer formed at solid surface. In particular, we have found that under certain thermodynamic conditions a long-range translational and orientational order can develop. The presence of amphiphiles produces changes of the shape of the differential capacitance from symmetric or non-symmetric bell-like to camel-like. Moreover, for some systems the value of the potential of the zero charge is non-zero, in contrast to the RPM at a charged surface.

Diffusion with chemical reaction: An attempt to explain number density anomalies in experiments involving alkali vapor

NASA Technical Reports Server (NTRS)

Snow, W. L.

1974-01-01

The mutual diffusion of two reacting gases is examined which takes place in a bath of inert gas atoms. Solutions are obtained between concentric spheres, each sphere acting as a source for one of the reactants. The calculational model is used to illustrate severe number density gradients observed in absorption experiments with alkali vapor. Severe gradients result when sq root k/D R is approximately 5 where k, D, and R are respectively the second order rate constant, the multicomponent diffusion constant, and the geometrical dimension of the experiment.

Absorption and scattering by fractal aggregates and by their equivalent coated spheres

NASA Astrophysics Data System (ADS)

Kandilian, Razmig; Heng, Ri-Liang; Pilon, Laurent

2015-01-01

This paper demonstrates that the absorption and scattering cross-sections and the asymmetry factor of randomly oriented fractal aggregates of spherical monomers can be rapidly estimated as those of coated spheres with equivalent volume and average projected area. This was established for fractal aggregates with fractal dimension ranging from 2.0 to 3.0 and composed of up to 1000 monodisperse or polydisperse monomers with a wide range of size parameter and relative complex index of refraction. This equivalent coated sphere approximation was able to capture the effects of both multiple scattering and shading among constituent monomers on the integral radiation characteristics of the aggregates. It was shown to be superior to the Rayleigh-Debye-Gans approximation and to the equivalent coated sphere approximation proposed by Latimer. However, the scattering matrix element ratios of equivalent coated spheres featured large angular oscillations caused by internal reflection in the coating which were not observed in those of the corresponding fractal aggregates. Finally, the scattering phase function and the scattering matrix elements of aggregates with large monomer size parameter were found to have unique features that could be used in remote sensing applications.

Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

DOE PAGES

Duignan, Timothy T.; Baer, Marcel D.; Schenter, Gregory K.; ...

2017-07-26

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. In this paper, 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 tomore » 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. Finally, this suggests that real ions, particularly anions, are significantly more complex than simple charged hard spheres, a commonly employed representation.« less

Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duignan, Timothy T.; Baer, Marcel D.; Schenter, Gregory K.

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. In this paper, 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 tomore » 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. Finally, this suggests that real ions, particularly anions, are significantly more complex than simple charged hard spheres, a commonly employed representation.« less

Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

NASA Astrophysics Data System (ADS)

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.

Linear and nonlinear response in sheared soft spheres

NASA Astrophysics Data System (ADS)

Tighe, Brian

2013-11-01

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

Coulomb energy of uniformly charged spheroidal shell systems.

PubMed

Jadhao, Vikram; Yao, Zhenwei; Thomas, Creighton K; de la Cruz, Monica Olvera

2015-03-01

We provide exact expressions for the electrostatic energy of uniformly charged prolate and oblate spheroidal shells. We find that uniformly charged prolate spheroids of eccentricity greater than 0.9 have lower Coulomb energy than a sphere of the same area. For the volume-constrained case, we find that a sphere has the highest Coulomb energy among all spheroidal shells. Further, we derive the change in the Coulomb energy of a uniformly charged shell due to small, area-conserving perturbations on the spherical shape. Our perturbation calculations show that buckling-type deformations on a sphere can lower the Coulomb energy. Finally, we consider the possibility of counterion condensation on the spheroidal shell surface. We employ a Manning-Oosawa two-state model approximation to evaluate the renormalized charge and analyze the behavior of the equilibrium free energy as a function of the shell's aspect ratio for both area-constrained and volume-constrained cases. Counterion condensation is seen to favor the formation of spheroidal structures over a sphere of equal area for high values of shell volume fractions.

Experimental and theoretical study of light scattering by individual mature red blood cells by use of scanning flow cytometry and a discrete dipole approximation.

PubMed

Yurkin, Maxim A; Semyanov, Konstantin A; Tarasov, Peter A; Chernyshev, Andrei V; Hoekstra, Alfons G; Maltsev, Valeri P

2005-09-01

Elastic light scattering by mature red blood cells (RBCs) was theoretically and experimentally analyzed by use of the discrete dipole approximation (DDA) and scanning flow cytometry (SFC), respectively. SFC permits measurement of the angular dependence of the light-scattering intensity (indicatrix) of single particles. A mature RBC is modeled as a biconcave disk in DDA simulations of light scattering. We have studied the effect of RBC orientation related to the direction of the light incident upon the indicatrix. Numerical calculations of indicatrices for several axis ratios and volumes of RBC have been carried out. Comparison of the simulated indicatrices and indicatrices measured by SFC showed good agreement, validating the biconcave disk model for a mature RBC. We simulated the light-scattering output signals from the SFC with the DDA for RBCs modeled as a disk-sphere and as an oblate spheroid. The biconcave disk, the disk-sphere, and the oblate spheroid models have been compared for two orientations, i.e., face-on and rim-on incidence, relative to the direction of the incident beam. Only the oblate spheroid model for rim-on incidence gives results similar to those of the rigorous biconcave disk model.

Approximate Model for Turbulent Stagnation Point Flow.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dechant, Lawrence

2016-01-01

Here we derive an approximate turbulent self-similar model for a class of favorable pressure gradient wedge-like flows, focusing on the stagnation point limit. While the self-similar model provides a useful gross flow field estimate this approach must be combined with a near wall model is to determine skin friction and by Reynolds analogy the heat transfer coefficient. The combined approach is developed in detail for the stagnation point flow problem where turbulent skin friction and Nusselt number results are obtained. Comparison to the classical Van Driest (1958) result suggests overall reasonable agreement. Though the model is only valid near themore » stagnation region of cylinders and spheres it nonetheless provides a reasonable model for overall cylinder and sphere heat transfer. The enhancement effect of free stream turbulence upon the laminar flow is used to derive a similar expression which is valid for turbulent flow. Examination of free stream enhanced laminar flow suggests that the rather than enhancement of a laminar flow behavior free stream disturbance results in early transition to turbulent stagnation point behavior. Excellent agreement is shown between enhanced laminar flow and turbulent flow behavior for high levels, e.g. 5% of free stream turbulence. Finally the blunt body turbulent stagnation results are shown to provide realistic heat transfer results for turbulent jet impingement problems.« less

Structure factor and radial distribution function of some liquid lanthanides using charged hard sphere

NASA Astrophysics Data System (ADS)

Patel, H. P.; Sonvane, Y. A.; Thakor, P. B.

2017-05-01

The structure factor S(q) and radial distribution function g(r) play vital role to study the various structural properties like electronic, dynamic, magnetic etc. The present paper deals with the structural studies of foresaid properties using our newly constructed parameter free model potential with the Charged Hard Sphere (CHS) approximation. The local field correction due to Sarkar et al. is used to incorporate exchange and correlation among the conduction electrons in dielectric screening. Here we report the S(q) and g(r) for some liquid lanthanides viz: La, Ce, Pr, Nd and Eu. Present computed results are compared with the available experimental data. Lastly we found that our parameter free model potential successfully explains the structural propertiesof4fliquidlanthanides.

The optical properties of absorbing aerosols with fractal soot aggregates: Implications for aerosol remote sensing

NASA Astrophysics Data System (ADS)

Cheng, Tianhai; Gu, Xingfa; Wu, Yu; Chen, Hao; Yu, Tao

2013-08-01

Applying sphere aerosol models to replace the absorbing fine-sized dominated aerosols can potentially result in significant errors in the climate models and aerosol remote sensing retrieval. In this paper, the optical properties of absorbing fine-sized dominated aerosol were modeled, which are taking into account the fresh emitted soot particles (agglomerates of primary spherules), aged soot particles (semi-externally mixed with other weakly absorbing aerosols), and coarse aerosol particles (dust particles). The optical properties of the individual fresh and aged soot aggregates are calculated using the superposition T-matrix method. In order to quantify the morphology effect of absorbing aerosol models on the aerosol remote sensing retrieval, the ensemble averaged optical properties of absorbing fine-sized dominated aerosols are calculated based on the size distribution of fine aerosols (fresh and aged soot) and coarse aerosols. The corresponding optical properties of sphere absorbing aerosol models using Lorenz-Mie solutions were presented for comparison. The comparison study demonstrates that the sphere absorbing aerosol models underestimate the absorption ability of the fine-sized dominated aerosol particles. The morphology effect of absorbing fine-sized dominated aerosols on the TOA radiances and polarized radiances is also investigated. It is found that the sphere aerosol models overestimate the TOA reflectance and polarized reflectance by approximately a factor of 3 at wavelength of 0.865 μm. In other words, the fine-sized dominated aerosol models can cause large errors in the retrieved aerosol properties if satellite reflectance measurements are analyzed using the conventional Mie theory for spherical particles.

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

NASA Astrophysics Data System (ADS)

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

2015-12-01

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

Contact area of rough spheres: Large scale simulations and simple scaling laws

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pastewka, Lars, E-mail: lars.pastewka@kit.edu; Department of Physics and Astronomy, Johns Hopkins University, 3400 North Charles Street, Baltimore, Maryland 21218; Robbins, Mark O., E-mail: mr@pha.jhu.edu

2016-05-30

We use molecular simulations to study the nonadhesive and adhesive atomic-scale contact of rough spheres with radii ranging from nanometers to micrometers over more than ten orders of magnitude in applied normal load. At the lowest loads, the interfacial mechanics is governed by the contact mechanics of the first asperity that touches. The dependence of contact area on normal force becomes linear at intermediate loads and crosses over to Hertzian at the largest loads. By combining theories for the limiting cases of nominally flat rough surfaces and smooth spheres, we provide parameter-free analytical expressions for contact area over the wholemore » range of loads. Our results establish a range of validity for common approximations that neglect curvature or roughness in modeling objects on scales from atomic force microscope tips to ball bearings.« less

Local thermodynamic mapping for effective liquid density-functional theory

NASA Technical Reports Server (NTRS)

Kyrlidis, Agathagelos; Brown, Robert A.

1992-01-01

The structural-mapping approximation introduced by Lutsko and Baus (1990) in the generalized effective-liquid approximation is extended to include a local thermodynamic mapping based on a spatially dependent effective density for approximating the solid phase in terms of the uniform liquid. This latter approximation, called the local generalized effective-liquid approximation (LGELA) yields excellent predictions for the free energy of hard-sphere solids and for the conditions of coexistence of a hard-sphere fcc solid with a liquid. Moreover, the predicted free energy remains single valued for calculations with more loosely packed crystalline structures, such as the diamond lattice. The spatial dependence of the weighted density makes the LGELA useful in the study of inhomogeneous solids.

Optimal approximation of harmonic growth clusters by orthogonal polynomials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teodorescu, Razvan

2008-01-01

Interface dynamics in two-dimensional systems with a maximal number of conservation laws gives an accurate theoreticaI model for many physical processes, from the hydrodynamics of immiscible, viscous flows (zero surface-tension limit of Hele-Shaw flows), to the granular dynamics of hard spheres, and even diffusion-limited aggregation. Although a complete solution for the continuum case exists, efficient approximations of the boundary evolution are very useful due to their practical applications. In this article, the approximation scheme based on orthogonal polynomials with a deformed Gaussian kernel is discussed, as well as relations to potential theory.

Candle Flames in Microgravity

NASA Technical Reports Server (NTRS)

Dietrich, D. L.; Ross, H. D.; Chang, P.; T'ien, J. S.

2001-01-01

The goal of this work is to study both experimentally and numerically the behavior of a candle flame burning in a microgravity environment. Two space experiments (Shuttle and Mir) have shown the candle flame in microgravity to be small (approximately 1.5 cm diameter), dim blue, and hemispherical. Near steady flames with very long flame lifetimes (up to 45 minutes in some tests) existed for many of the tests. Most of the flames spontaneously oscillated with a period of approximately 1 Hz just prior to extinction). In a previous model of candle flame in microgravity, a porous sphere wetted with liquid fuel simulated the evaporating wick. The sphere, with a temperature equal to the boiling temperature of the fuel, was at the end of an inert cone that had a prescribed temperature. This inert cone produces the quenching effect of the candle wax in the real configuration. Although the computed flame shape resembled that observed in the microgravity experiment, the model was not able to differentiate the effect of wick geometry, e.g., a long vs. a short wick. This paper presents recent developments in the numerical model of the candle flame. The primary focus has been to more realistically account for the actual shape of the candle.

Spherical solid model system: Exact evaluation of the van der Waals interaction between a microscopic or submacroscopic spherical solid and a deformable fluid interface

NASA Astrophysics Data System (ADS)

Wang, Y. Z.; Wang, B.; Xiong, X. M.; Zhang, J. X.

2011-03-01

In many previous research work associated with studying the deformation of the fluid interface interacting with a solid, the theoretical calculation of the surface energy density on the deformed fluid interface (or its interaction surface pressure) is often approximately obtained by using the expression for the interaction energy per unit area (or pressure) between two parallel macroscopic plates, e.g. σ(D) = - A / 12 πD2or π(D) = - A / 6 πD3for the van der Waals (vdW) interaction, through invoking the Derjaguin approximation (DA). This approximation however would result in over- or even inaccurate-prediction of the interaction force and the corresponding deformation of the fluid interface due to the invalidation of Derjaguin approximation in cases of microscopic or submacroscopic solids. To circumvent the above limitations existing in the previous DA-based theoretical work, a more accurate and quantitative theoretical model, available for exactly calculating the vdW-induced deformation of a planar fluid interface interacting with a sphere, and the interaction forces taking into account its change, is presented in this paper. The validity and advantage of the new mathematical and physical technique is rigorously verified by comparison with the numerical results on basis of the previous Paraboloid solid (PS) model and the Hamaker's sphere-flat expression (viz. F = - 2 Aa3 / (3 D2( D + 2 a) 2)), as well as its well-known DA-based general form of F / a = - A / 6z p02.

A Parameter Study on the Effect of Impactor Size for NASA’s DART Mission

NASA Astrophysics Data System (ADS)

Truitt, Amanda; Weaver, Robert; Gisler, Galen

2018-06-01

We have modeled the impact of the Double Asteroid Redirection Test (DART) spacecraft into the binary near-Earth asteroid (65803) Didymos. While the primary object is approximately 800 meters across, its secondary body (“moonlet” Didymoon) has a diameter of 150 meters, which is thought to be a much more typical size for the kind of asteroid that would pose a hazard to Earth. DART will be the first demonstration of the kinetic impact technique to change the motion of an asteroid in space, an important consideration for understanding our capabilities in planetary defense of Near-Earth Asteroids. Recent modeling of this impact has used full-density solid aluminum spheres with a mass of approximately 500 kg. Many of the published scaling laws for crater size and diameter as well as ejecta modeling assume this type of impactor, although the actual spacecraft shape being considered for the DART Mission impact is not solid and does not contain a solid dedicated kinetic impactor – rather, the spacecraft itself is considered the impactor. Since the 500 kg hollow spacecraft is significantly larger (~100 x 100 x 200 cm) in size than a solid aluminum sphere (radius ~ 36 cm) the resulting impact dynamics are quite different. Here we have modeled both types of impacts and compare the results of the simulations for crater size, depth, and ejecta for a solid sphere (R = 36 cm) and cylindrical spacecraft (R = 20, 50, and 100 cm), while maintaining a constant mass and material density. This work will allow for a more robust comparison of the momentum enhancement β-factor, which describes the gain in a momentum transfer exerted by the impacting spacecraft on a Near-Earth Object due to ejecta momentum escape. (LA-UR-18-21571)

Three-dimensional hydrodynamic Bondi-Hoyle accretion. 2: Homogeneous medium at Mach 3 with gamma = 5/3

NASA Technical Reports Server (NTRS)

Ruffert, Maximilian; Arnett, David

1994-01-01

We investigate the hydrodynamics of three-dimensional classical Bondi-Hoyle accretion. Totally absorbing spheres of varying sizes (from 10 down to 0.01 accretion radii) move at Mach 3 relative to a homogeneous and slightly perturbed medium, which is taken to be an ideal gas (gamma = 5/3). To accommodate the long-range gravitational forces, the extent of the computational volume is 32(exp 3) accretion radii. We examine the influence of numerical procedure on physical behavior. The hydrodynamics is modeled by the 'piecewise parabolic method.' No energy sources (nuclear burning) or sinks (radiation, conduction) are included. The resolution in the vicinity of the accretor is increased by multiply nesting several (5-10) grids around the sphere, each finer grid being a factor of 2 smaller in zone dimension that the next coarser grid. The largest dynamic range (ratio of size of the largest grid to size of the finest zone) is 16,384. This allows us to include a coarse model for the surface of the accretor (vacuum sphere) on the finest grid, while at the same time evolving the gas on the coarser grids. Initially (at time t = 0-10), a shock front is set up, a Mach cone develops, and the accretion column is observable. Eventually the flow becomes unstable, destroying axisymmetry. This happens approximately when the mass accretion rate reaches the values (+/- 10%) predicted by the Bondi-Hoyle accretion formula (factor of 2 included). However, our three-dimensional models do not show the highly dynamic flip-flop flow so prominent in two-dimensional calculations performed by other authors. The flow, and thus the accretion rate of all quantities, shows quasi-periodic (P approximately equals 5) cycles between quiescent and active states. The interpolation formula proposed in an accompanying paper is found to follow the collected numerical data to within approximately 30%. The specific angular momentum accreted is of the same order of magnitude as the values previously found for two-dimensional flows.

Shock Sensitivity of energetic materials

NASA Technical Reports Server (NTRS)

Kim, K.

1980-01-01

Viscoplastic deformation is examined as the principal source of hot energy. Some shock sensitivity data on a proposed model is explained. A hollow sphere model is used to approximate complex porous matrix of energetic materials. Two pieces of shock sensitivity data are qualitatively compared with results of the proposed model. The first is the p2 tau law. The second is the desensitization of energetic materials by a ramp wave applied stress. An approach to improve the model based on experimental observations is outlined.

Molecular Dynamics Modeling of Ionic Liquids in Electrospray Propulsion

DTIC Science & Technology

2010-06-01

surface equipotential and a correspondes to the model sphere radius. It can also see that the applied voltage is necessary to obtain the surface ...between the tip and extractor, the equipotential line whose angle relative to the x axis is approximately 49 degrees is selected as the Taylor cone surface ...model. Then the electric field on such equipotential line is found by equation 7.5 and used for the distribution along the cone surface . This

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Medasani, Bharat; Ovanesyan, Zaven; Thomas, Dennis G.

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

Analysis of fast boundary-integral approximations for modeling electrostatic contributions of molecular binding

PubMed Central

Kreienkamp, Amelia B.; Liu, Lucy Y.; Minkara, Mona S.; Knepley, Matthew G.; Bardhan, Jaydeep P.; Radhakrishnan, Mala L.

2013-01-01

We analyze and suggest improvements to a recently developed approximate continuum-electrostatic model for proteins. The model, called BIBEE/I (boundary-integral based electrostatics estimation with interpolation), was able to estimate electrostatic solvation free energies to within a mean unsigned error of 4% on a test set of more than 600 proteins—a significant improvement over previous BIBEE models. In this work, we tested the BIBEE/I model for its capability to predict residue-by-residue interactions in protein–protein binding, using the widely studied model system of trypsin and bovine pancreatic trypsin inhibitor (BPTI). Finding that the BIBEE/I model performs surprisingly less well in this task than simpler BIBEE models, we seek to explain this behavior in terms of the models’ differing spectral approximations of the exact boundary-integral operator. Calculations of analytically solvable systems (spheres and tri-axial ellipsoids) suggest two possibilities for improvement. The first is a modified BIBEE/I approach that captures the asymptotic eigenvalue limit correctly, and the second involves the dipole and quadrupole modes for ellipsoidal approximations of protein geometries. Our analysis suggests that fast, rigorous approximate models derived from reduced-basis approximation of boundary-integral equations might reach unprecedented accuracy, if the dipole and quadrupole modes can be captured quickly for general shapes. PMID:24466561

Pushing the glass transition towards random close packing using self-propelled hard spheres

NASA Astrophysics Data System (ADS)

Ni, Ran; Stuart, Martien A. Cohen; Dijkstra, Marjolein

2013-10-01

Although the concept of random close packing with an almost universal packing fraction of approximately 0.64 for hard spheres was introduced more than half a century ago, there are still ongoing debates. The main difficulty in searching the densest packing is that states with packing fractions beyond the glass transition at approximately 0.58 are inherently non-equilibrium systems, where the dynamics slows down with a structural relaxation time diverging with density; hence, the random close packing is inaccessible. Here we perform simulations of self-propelled hard spheres, and we find that with increasing activity the relaxation dynamics can be sped up by orders of magnitude. The glass transition shifts to higher packing fractions upon increasing the activity, allowing the study of sphere packings with fluid-like dynamics at packing fractions close to RCP. Our study opens new possibilities of investigating dense packings and the glass transition in systems of hard particles.

Mixtures of charged colloid and neutral polymer: Influence of electrostatic interactions on demixing and interfacial tension

NASA Astrophysics Data System (ADS)

Denton, Alan R.; Schmidt, Matthias

2005-06-01

The equilibrium phase behavior of a binary mixture of charged colloids and neutral, nonadsorbing polymers is studied within free-volume theory. A model mixture of charged hard-sphere macroions and ideal, coarse-grained, effective-sphere polymers is mapped first onto a binary hard-sphere mixture with nonadditive diameters and then onto an effective Asakura-Oosawa model [S. Asakura and F. Oosawa, J. Chem. Phys. 22, 1255 (1954)]. The effective model is defined by a single dimensionless parameter—the ratio of the polymer diameter to the effective colloid diameter. For high salt-to-counterion concentration ratios, a free-volume approximation for the free energy is used to compute the fluid phase diagram, which describes demixing into colloid-rich (liquid) and colloid-poor (vapor) phases. Increasing the range of electrostatic interactions shifts the demixing binodal toward higher polymer concentration, stabilizing the mixture. The enhanced stability is attributed to a weakening of polymer depletion-induced attraction between electrostatically repelling macroions. Comparison with predictions of density-functional theory reveals a corresponding increase in the liquid-vapor interfacial tension. The predicted trends in phase stability are consistent with observed behavior of protein-polysaccharide mixtures in food colloids.

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

NASA Astrophysics Data System (ADS)

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

2015-08-01

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

Self-consistent-field KKR-CPA calculations in the atomic-sphere approximations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, P.P. Gonis, A.; de Fontaine, D.

1991-12-03

We present a formulation of the Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) for the treatment of substitutionally disordered alloys within the KKR atomic-sphere approximations (ASA). This KKR-ASA-CPA represents the first step toward the implementation of a full cell potential CPA, and combines the accuracy of the KKR-CPA method with the flexibility of treating complex crystal structures. The accuracy of this approach has been tested by comparing the self-consistent-field (SCF) KKR-ASA-CPA calculations of Cu-Pd alloys with experimental results and previous SCF-KKR-CPA calculations.

Effects of elastic bed on hydrodynamic forces for a submerged sphere in an ocean of finite depth

NASA Astrophysics Data System (ADS)

Mohapatra, Smrutiranjan

2017-08-01

In this paper, we consider a hydroelastic model to examine the radiation of waves by a submerged sphere for both heave and sway motions in a single-layer fluid flowing over an infinitely extended elastic bottom surface in an ocean of finite depth. The elastic bottom is modeled as a thin elastic plate and is based on the Euler-Bernoulli beam equation. The effect of the presence of surface tension at the free-surface is neglected. In such situation, there exist two modes of time-harmonic waves: the one with a lower wavenumber (surface mode) propagates along the free-surface and the other with higher wavenumber (flexural mode) propagates along the elastic bottom surface. Based on the small amplitude wave theory and by using the multipole expansion method, we find the particular solution for the problem of wave radiation by a submerged sphere of finite depth. Furthermore, this method eliminates the need to use large and cumbersome numerical packages for the solution of such problem and leads to an infinite system of linear algebraic equations which are easily solved numerically by any standard technique. The added-mass and damping coefficients for both heave and sway motions are derived and plotted for different submersion depths of the sphere and flexural rigidity of the elastic bottom surface. It is observed that, whenever the sphere nearer to the elastic bed, the added-mass move toward to a constant value of 1, which is approximately twice of the value of added-mass of a moving sphere in a single-layer fluid flowing over a rigid and flat bottom surface.

Experimental and theoretical investigations on the validity of the geometrical optics model for calculating the stability of optical traps.

PubMed

Schut, T C; Hesselink, G; de Grooth, B G; Greve, J

1991-01-01

We have developed a computer program based on the geometrical optics approach proposed by Roosen to calculate the forces on dielectric spheres in focused laser beams. We have explicitly taken into account the polarization of the laser light and thd divergence of the laser beam. The model can be used to evaluate the stability of optical traps in a variety of different optical configurations. Our calculations explain the experimental observation by Ashkin that a stable single-beam optical trap, without the help of the gravitation force, can be obtained with a strongly divergent laser beam. Our calculations also predict a different trap stability in the directions orthogonal and parallel to the polarization direction of the incident light. Different experimental methods were used to test the predictions of the model for the gravity trap. A new method for measuring the radiation force along the beam axis in both the stable and instable regions is presented. Measurements of the radiation force on polystyrene spheres with diameters of 7.5 and 32 microns in a TEM00-mode laser beam showed a good qualitative correlation with the predictions and a slight quantitative difference. The validity of the geometrical approximations involved in the model will be discussed for spheres of different sizes and refractive indices.

Mathematical analysis of the boundary-integral based electrostatics estimation approximation for molecular solvation: exact results for spherical inclusions.

PubMed

Bardhan, Jaydeep P; Knepley, Matthew G

2011-09-28

We analyze the mathematically rigorous BIBEE (boundary-integral based electrostatics estimation) approximation of the mixed-dielectric continuum model of molecular electrostatics, using the analytically solvable case of a spherical solute containing an arbitrary charge distribution. Our analysis, which builds on Kirkwood's solution using spherical harmonics, clarifies important aspects of the approximation and its relationship to generalized Born models. First, our results suggest a new perspective for analyzing fast electrostatic models: the separation of variables between material properties (the dielectric constants) and geometry (the solute dielectric boundary and charge distribution). Second, we find that the eigenfunctions of the reaction-potential operator are exactly preserved in the BIBEE model for the sphere, which supports the use of this approximation for analyzing charge-charge interactions in molecular binding. Third, a comparison of BIBEE to the recent GBε theory suggests a modified BIBEE model capable of predicting electrostatic solvation free energies to within 4% of a full numerical Poisson calculation. This modified model leads to a projection-framework understanding of BIBEE and suggests opportunities for future improvements. © 2011 American Institute of Physics

Modelling sheet-flow sediment transport in wave-bottom boundary layers using discrete-element modelling.

PubMed

Calantoni, Joseph; Holland, K Todd; Drake, Thomas G

2004-09-15

Sediment transport in oscillatory boundary layers is a process that drives coastal geomorphological change. Most formulae for bed-load transport in nearshore regions subsume the smallest-scale physics of the phenomena by parametrizing interactions amongst particles. In contrast, we directly simulate granular physics in the wave-bottom boundary layer using a discrete-element model comprised of a three-dimensional particle phase coupled to a one-dimensional fluid phase via Newton's third law through forces of buoyancy, drag and added mass. The particulate sediment phase is modelled using discrete particles formed to approximate natural grains by overlapping two spheres. Both the size of each sphere and the degree of overlap can be varied for these composite particles to generate a range of non-spherical grains. Simulations of particles having a range of shapes showed that the critical angle--the angle at which a grain pile will fail when tilted slowly from rest--increases from approximately 26 degrees for spherical particles to nearly 39 degrees for highly non-spherical composite particles having a dumbbell shape. Simulations of oscillatory sheet flow were conducted using composite particles with an angle of repose of approximately 33 degrees and a Corey shape factor greater than about 0.8, similar to the properties of beach sand. The results from the sheet-flow simulations with composite particles agreed more closely with laboratory measurements than similar simulations conducted using spherical particles. The findings suggest that particle shape may be an important factor for determining bed-load flux, particularly for larger bed slopes.

An analytical model for the calculation of the change in transmembrane potential produced by an ultrawideband electromagnetic pulse.

PubMed

Hart, Francis X; Easterly, Clay E

2004-05-01

The electric field pulse shape and change in transmembrane potential produced at various points within a sphere by an intense, ultrawideband pulse are calculated in a four stage, analytical procedure. Spheres of two sizes are used to represent the head of a human and the head of a rat. In the first stage, the pulse is decomposed into its Fourier components. In the second stage, Mie scattering analysis (MSA) is performed for a particular point in the sphere on each of the Fourier components, and the resulting electric field pulse shape is obtained for that point. In the third stage, the long wavelength approximation (LWA) is used to obtain the change in transmembrane potential in a cell at that point. In the final stage, an energy analysis is performed. These calculations are performed at 45 points within each sphere. Large electric fields and transmembrane potential changes on the order of a millivolt are produced within the brain, but on a time scale on the order of nanoseconds. The pulse shape within the brain differs considerably from that of the incident pulse. Comparison of the results for spheres of different sizes indicates that scaling of such pulses across species is complicated. Published 2004 Wiley-Liss, Inc.

Effective transport properties of composites of spheres

NASA Astrophysics Data System (ADS)

Felderhof, B. U.

1994-06-01

The effective linear transport properties of composites of spheres may be studied by the methods of statistical physics. The analysis leads to an exact cluster expansion. The resulting expression for the transport coefficients may be evaluated approximately as the sum of a mean field contribution and correction terms, given by cluster integrals over two-sphere and three-sphere correlation functions. Calculations of this nature have been performed for the effective dielectric constant, as well as the effective elastic constants of composites of spheres. Accurate numerical data for the effective properties may be obtained by computer simulation. An efficient formulation uses multiple expansion in Cartesian coordinates and periodic boundary conditions. Extensive numerical results have been obtained for the effective dielectric constant of a suspension of randomly distributed spheres.

Equilibrium location for spherical DNA and toroidal cyclodextrin

NASA Astrophysics Data System (ADS)

Sarapat, Pakhapoom; Baowan, Duangkamon; Hill, James M.

2018-05-01

Cyclodextrin comprises a ring structure composed of glucose molecules with an ability to form complexes of certain substances within its central cavity. The compound can be utilised for various applications including food, textiles, cosmetics, pharmaceutics, and gene delivery. In gene transfer, the possibility of forming complexes depends upon the interaction energy between cyclodextrin and DNA molecules which here are modelled as a torus and a sphere, respectively. Our proposed model is derived using the continuum approximation together with the Lennard-Jones potential, and the total interaction energy is obtained by integrating over both the spherical and toroidal surfaces. The results suggest that the DNA prefers to be symmetrically situated about 1.2 Å above the centre of the cyclodextrin to minimise its energy. Furthermore, an optimal configuration can be determined for any given size of torus and sphere.

Direct Simulation of Extinction in a Slab of Spherical Particles

NASA Technical Reports Server (NTRS)

Mackowski, D.W.; Mishchenko, Michael I.

2013-01-01

The exact multiple sphere superposition method is used to calculate the coherent and incoherent contributions to the ensemble-averaged electric field amplitude and Poynting vector in systems of randomly positioned nonabsorbing spherical particles. The target systems consist of cylindrical volumes, with radius several times larger than length, containing spheres with positional configurations generated by a Monte Carlo sampling method. Spatially dependent values for coherent electric field amplitude, coherent energy flux, and diffuse energy flux, are calculated by averaging of exact local field and flux values over multiple configurations and over spatially independent directions for fixed target geometry, sphere properties, and sphere volume fraction. Our results reveal exponential attenuation of the coherent field and the coherent energy flux inside the particulate layer and thereby further corroborate the general methodology of the microphysical radiative transfer theory. An effective medium model based on plane wave transmission and reflection by a plane layer is used to model the dependence of the coherent electric field on particle packing density. The effective attenuation coefficient of the random medium, computed from the direct simulations, is found to agree closely with effective medium theories and with measurements. In addition, the simulation results reveal the presence of a counter-propagating component to the coherent field, which arises due to the internal reflection of the main coherent field component by the target boundary. The characteristics of the diffuse flux are compared to, and found to be consistent with, a model based on the diffusion approximation of the radiative transfer theory.

Convection driven zonal flows and vortices in the major planets.

PubMed

Busse, F. H.

1994-06-01

The dynamical properties of convection in rotating cylindrical annuli and spherical shells are reviewed. Simple theoretical models and experimental simulations of planetary convection through the use of the centrifugal force in the laboratory are emphasized. The model of columnar convection in a cylindrical annulus not only serves as a guide to the dynamical properties of convection in rotating sphere; it also is of interest as a basic physical system that exhibits several dynamical properties in their most simple form. The generation of zonal mean flows is discussed in some detail and examples of recent numerical computations are presented. The exploration of the parameter space for the annulus model is not yet complete and the theoretical exploration of convection in rotating spheres is still in the beginning phase. Quantitative comparisons with the observations of the dynamics of planetary atmospheres will have to await the consideration in the models of the effects of magnetic fields and the deviations from the Boussinesq approximation.

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

PubMed

Santos, Andrés; de Haro, Mariano López

2016-06-01

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

Mechanical algal disruption for efficient biodiesel extraction

NASA Astrophysics Data System (ADS)

Krehbiel, Joel David

Biodiesel from algae provides several benefits over current biodiesel feedstocks, but the energy requirements of processing algae into a useable fuel are currently so high as to be prohibitive. One route to improving this is via disruption of the cells prior to lipid extraction, which can significantly increase energy recovery. Unfortunately, several obvious disruption techniques require more energy than can be gained. This dissertation examines the use of microbubbles to improve mechanical disruption of algal cells using experimental, theoretical, and computational methods. New laboratory experiments show that effective ultrasonic disruption of algae is achieved by adding microbubbles to an algal solution. The configuration studied flows the solution through a tube and insonifies a small section with a high-pressure ultrasound wave. Previous biomedical research has shown effective cell membrane damage on animal cells with similar methods, but the present research is the first to extend such study to algal cells. Results indicate that disruption increases with peak negative pressure between 1.90 and 3.07 MPa and with microbubble concentration up to 12.5 x 107 bubbles/ml. Energy estimates of this process suggest that it requires only one-fourth the currently most-efficient laboratory-scale disruption process. Estimates of the radius near each bubble that causes disruption (i.e. the disruption radius) suggest that it increases with peak negative pressure and is near 9--20 microm for all cases tested. It is anticipated that these procedures can be designed for better efficiency and efficacy, which will be facilitated by identifying the root mechanisms of the bubble-induced disruption. We therefore examine whether bubble expansion alone creates sufficient cell deformation for cell rupture. The spherically-symmetric Marmottant model for bubble dynamics allows estimation of the flow regime under experimental conditions. Bubble expansion is modeled as a point source of mass at the bubble center, and if the bubble-to-cell spacing is much larger than the cell radius, the flow around the cell is approximately extensional in the cell's frame of reference. It is known that the present algae are quasi-spherical with cytoplasmic viscosity approximately 100 times that of water, so the cell is approximated as a viscous sphere. Thus, conditions that cause cell disruption from an expanding microbubble are modeled as either steady inviscid extensional flow or steady point source flow over a viscous sphere. In the inviscid extensional flow model, the flow inside the sphere is dominated by viscous forces so the Stokes equation is solved with matched stresses at the sphere surface from the exterior inviscid extensional flow. The short-time deformation of the sphere surface suggests that inviscid extensional flow is insufficient to disrupt cells. This indicates that asymmetry of the flow over the sphere may be required to provide sufficient surface areal strain to rupture the cell. In a more detailed model, the bubble expansion is modeled as an expansion near a viscous sphere using finite element software. For conditions similar to those seen in the experiment, deformation shows similar scaling to disruption. The deformation in this model is significantly higher than predicted from the inviscid extensional flow model due to the effect of asymmetric flow on the cell membrane. Estimates suggest 21% average areal strain on the algal membrane is required to disrupt algal cells, and this result agrees well with areal strains typically required to disrupt cell membranes although the actual value would be lessened by the effect of an elastic membrane, which is neglected in the present model. The local areal strain on the sphere surface is a maximum closest to the point source, and there is compressive strain near theta = +/-pi/4 with theta the angle from the line between the cell center and the point source. The maximum local areal strain shows less sensitivity to the viscosity of the interior fluid than the average areal strain. Overall, the dissertation lays the groundwork for more efficient algal disruption through the judicious use of microbubbles. Separation of bubble generation and bubble growth provides the ability to improve the efficiency of each process and localize energy. Results suggest that effective disruption can occur by pulsing high-pressure ultrasound waves to a solution of cells co-suspended with microbubbles. The models are thought to represent basic phenomenological mechanisms of disruption that could be exploited to improve the overall energy efficiency of schemes. Analysis suggests that extensional flow alone cannot be the cause of cell disruption near an expanding microbubble. Additionally, this work provides an estimate of the areal strain required disrupt an algal cell membrane. This research suggests a couple routes toward reducing the energy required for production of algal biodiesel.

Glueball spectra from a matrix model of pure Yang-Mills theory

NASA Astrophysics Data System (ADS)

Acharyya, Nirmalendu; Balachandran, A. P.; Pandey, Mahul; Sanyal, Sambuddha; Vaidya, Sachindeo

2018-05-01

We present variational estimates for the low-lying energies of a simple matrix model that approximates SU(3) Yang-Mills theory on a three-sphere of radius R. By fixing the ground state energy, we obtain the (integrated) renormalization group (RG) equation for the Yang-Mills coupling g as a function of R. This RG equation allows to estimate the mass of other glueball states, which we find to be in excellent agreement with lattice simulations.

Preliminary characterization of a one-axis acoustic system. [acoustic levitation for space processing

NASA Technical Reports Server (NTRS)

Oran, W. A.; Reiss, D. A.; Berge, L. H.; Parker, H. W.

1979-01-01

The acoustic fields and levitation forces produced along the axis of a single-axis resonance system were measured. The system consisted of a St. Clair generator and a planar reflector. The levitation force was measured for bodies of various sizes and geometries (i.e., spheres, cylinders, and discs). The force was found to be roughly proportional to the volume of the body until the characteristic body radius reaches approximately 2/k (k = wave number). The acoustic pressures along the axis were modeled using Huygens principle and a method of imaging to approximate multiple reflections. The modeled pressures were found to be in reasonable agreement with those measured with a calibrated microphone.

Smectic phases in hard particle mixtures: Koda's theory

NASA Astrophysics Data System (ADS)

Vesely, Franz J.

Mixtures of parallel linear particles and spheres tend to demix upon compression. The linear species usually concentrates in regular layers, thus forming a smectic phase. With increasing concentration of spheres this 'smectic demixing' transition occurs at ever lower packing densities. For the specific case of hard spherocylinders and spheres Koda et al. [T. Koda, M. Numajiri, S. Ikeda, J. Phys. Jap., 65, 3551 (1996)] have explained the layering effect in terms of a second virial approximation to the free energy. We extend this approach from spherocylinders to other linear particles, namely fused spheres, ellipsoids and sphero-ellipsoids.

Lectures on the scattering of light. [by dielectric sphere

NASA Technical Reports Server (NTRS)

Saxon, D. S.

1974-01-01

The exact (Mie) theory for the scattering of a plane wave by a dielectric sphere is presented. Since this infinite series solution is computationally impractical for large spheres, another formulation is given in terms of an integral equation valid for a bounded, but otherwise general array of scatterers. This equation is applied to the scattering by a single sphere, and several methods are suggested for approximating the scattering cross section in closed form. A tensor scattering matrix is introduced, in terms of which some general scattering theorems are derived. The application of the formalism to multiple scattering is briefly considered.

SCF-Xα-SW electron densities with the overlapping sphere approximation

NASA Astrophysics Data System (ADS)

McMaster, Blair N.; Smith, Vedene H., Jr.; Salahub, Dennis R.

Self consistent field-Xα-scattered wave (SCF-Xα-SW) calculations have been performed for a series of eight first and second row homonuclear diatomic molecules using both the touching (TS) and 25 per cent overlapping sphere (OS) versions. The OS deformation density maps exhibit much better quantitative agreement with those from other Xα methods, which do not employ the spherical muffin-tin (MT) potential approximation, than do the TS maps. The OS version thus compensates very effectively for the errors involved in the MT approximation in computing electron densities. A detailed comparison between the TS- and OS-Xα-SW orbitals reveals that the reasons for this improvement are surprisingly specific. The dominant effect of the OS approximation is to increase substantially the electron density near the midpoint of bonding σ orbitals, with a consequent reduction of the density behind the atoms. A similar effect occurs for the bonding π orbitals but is less pronounced. These effects are due to a change in hybridization of the orbitals, with the OS approximation increasing the proportion of the subdominant partial waves and hence changing the shapes of the orbitals. It is this increased orbital polarization which so effectively compensates for the lack of (non-spherically symmetric) polarization components in the MT potential, when overlapping spheres are used.

Gravity and magnetic anomaly modeling and correlation using the SPHERE program and Magsat data

NASA Technical Reports Server (NTRS)

Braile, L. W.; Hinze, W. J. (Principal Investigator); Vonfrese, R. R. B.

1980-01-01

The spherical Earth inversion, modeling, and contouring software were tested and modified for processing data in the Southern Hemisphere. Preliminary geologic/tectonic maps and selected cross sections for South and Central America and the Caribbean region are being compiled and as well as gravity and magnetic models for the major geological features of the area. A preliminary gravity model of the Andeas Beniff Zone was constructed so that the density columns east and west of the subducted plates are in approximate isostatic equilibrium. The magnetic anomaly for the corresponding magnetic model of the zone is being computed with the SPHERE program. A test tape containing global magnetic measurements was converted to a tape compatible with Purdue's CDC system. NOO data were screened for periods of high diurnal activity and reduced to anomaly form using the IGS-75 model. Magnetic intensity anomaly profiles were plotted on the conterminous U.S. map using the track lines as the anomaly base level. The transcontinental magnetic high seen in POGO and MAGSAT data is also represented in the NOO data.

Direct numerical simulation of the sea flows around blunt bodies

NASA Astrophysics Data System (ADS)

Matyushin, Pavel V.; Gushchin, Valentin A.

2015-11-01

The aim of the present paper is the demonstration of the opportunities of the mathematical modeling of the separated flows of the sea water around blunt bodies on the basis of the Navier-Stokes equations (NSE) in the Boussinesq approximation. The 3D density stratified incompressible viscous fluid flows around a sphere have been investigated by means of the direct numerical simulation (DNS) on supercomputers and the visualization of the 3D vortex structures in the wake. For solving of NSE the Splitting on physical factors Method for Incompressible Fluid flows (SMIF) with hybrid explicit finite difference scheme (second-order accuracy in space, minimum scheme viscosity and dispersion, capable for work in wide range of the Reynolds (Re) and the internal Froude (Fr) numbers and monotonous) has been developed and successfully applied. The different transitions in sphere wakes with increasing of Re (10 < Re < 500) and decreasing of Fr (0.005 < Fr < 100) have been investigated in details. Thus the classifications of the viscous fluid flow regimes around a sphere have been refined.

Terahertz plasmon and surface-plasmon modes in hollow nanospheres

PubMed Central

2012-01-01

We present a theoretical study of the electronic subband structure and collective electronic excitation associated with plasmon and surface plasmon modes in metal-based hollow nanosphere. The dependence of the electronic subband energy on the sample parameters of the hollow nanosphere is examined. We find that the subband states with different quantum numbers l degenerate roughly when the outer radius of the sphere is r2 ≥ 100 nm. In this case, the energy spectrum of a sphere is mainly determined by quantum number n. Moreover, the plasmon and surface plasmon excitations can be achieved mainly via inter-subband transitions from occupied subbands to unoccupied subbands. We examine the dependence of the plasmon and surface-plasmon frequencies on the shell thickness d and the outer radius r2 of the sphere using the standard random-phase approximation. We find that when a four-state model is employed for calculations, four branches of the plasmon and surface plasmon oscillations with terahertz frequencies can be observed, respectively. PMID:23092121

Investigation of Aggregates as a Model for Titan's Aerosols Using Microwave Analog Experiments and Radiative Transfer Theory

NASA Astrophysics Data System (ADS)

Thomas-Osip, J. E.; Gustafson, B. Å. S.

1996-09-01

It has been suggested that the aerosols in the atmosphere of Titan have an aggregate morphology (Bar-Nun et al., 1988: West and Smith, 1991). Previous studies were based on formulations of the Discrete Dipole Approximation to calculate the single scattering properties of such aggregates. These studies were limited in the size of the individual spheres and total size of the aggregate. We present microwave to light analog scattering measurements and radiative transfer calculations for aggregates of 250-500 individual spheres near the Raleigh size limit in a plane parallel atmosphere. The advantages of using microwave analog experiments include the possibility of investigating a broad range of particle sizes and morphologies.

Crystal structure and phase stability in Fe{sub 1{minus}x}Co{sub x} from AB initio theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Soederlind, P.; Abrikosov, I.A.; James, P.

1996-06-01

For alloys between Fe and Co, their magnetic properties determine their structure. From the occupation of d states, a phase diagram is expected which depend largely on the spin polarization. A method more elaborate than canonical band models is used to calculate the spin moment and crystal structure energies. This method was the multisublattice generalization of the coherent potential approximation in conjunction with the Linear-Muffin-Tin-Orbital method in the atomic sphere approximation. To treat itinerant magnetism, the Vosko-Wilk-Nusair parameterization was used for the local spin density approximation. The fcc, bcc, and hcp phases were studied as completely random alloys, while themore » {alpha}{prime} phase for off-stoichiometries were considered as partially ordered. Results are compared with experiment and canonical band model.« less

A general mixture theory. I. Mixtures of spherical molecules

NASA Astrophysics Data System (ADS)

Hamad, Esam Z.

1996-08-01

We present a new general theory for obtaining mixture properties from the pure species equations of state. The theory addresses the composition and the unlike interactions dependence of mixture equation of state. The density expansion of the mixture equation gives the exact composition dependence of all virial coefficients. The theory introduces multiple-index parameters that can be calculated from binary unlike interaction parameters. In this first part of the work, details are presented for the first and second levels of approximations for spherical molecules. The second order model is simple and very accurate. It predicts the compressibility factor of additive hard spheres within simulation uncertainty (equimolar with size ratio of three). For nonadditive hard spheres, comparison with compressibility factor simulation data over a wide range of density, composition, and nonadditivity parameter, gave an average error of 2%. For mixtures of Lennard-Jones molecules, the model predictions are better than the Weeks-Chandler-Anderson perturbation theory.

Temperature and composition dependence of Mg-based amorphous-alloy structure factors

NASA Astrophysics Data System (ADS)

From, M.; Muir, W. B.

1992-01-01

Measurements of the x-ray total structure factors for amorphous Mg70Zn30, Ca70Mg30, and Mg85.5Cu14.5 at 9, 150, and 300 K have been made. The composition dependence of the room-temperature structure factors of MgxZn1-x have also been measured for values of x=0.65, 0.70, and 0.75. These compositional changes can be accounted for by the increase in average atomic size as the fraction of the larger Mg atoms increases with x. Also the Perkus-Yevick hard-sphere model is sufficient to calculate the change in structure factor with composition if an experimental structure factor is available from which the sphere diameters and packing fraction can be extracted. The temperature dependence of the structure factors is consistent with the observed thermal expansion and a Debye phonon model with Meisel and Cote's approximation for the multiphonon contribution to the structure factor.

On the use of the generalized SPRT method in the equivalent hard sphere approximation for nuclear data evaluation

NASA Astrophysics Data System (ADS)

Noguere, Gilles; Archier, Pascal; Bouland, Olivier; Capote, Roberto; Jean, Cyrille De Saint; Kopecky, Stefan; Schillebeeckx, Peter; Sirakov, Ivan; Tamagno, Pierre

2017-09-01

A consistent description of the neutron cross sections from thermal energy up to the MeV region is challenging. One of the first steps consists in optimizing the optical model parameters using average resonance parameters, such as the neutron strength functions. They can be derived from a statistical analysis of the resolved resonance parameters, or calculated with the generalized form of the SPRT method by using scattering matrix elements provided by optical model calculations. One of the difficulties is to establish the contributions of the direct and compound nucleus reactions. This problem was solved by using a slightly modified average R-Matrix formula with an equivalent hard sphere radius deduced from the phase shift originating from the potential. The performances of the proposed formalism are illustrated with results obtained for the 238U+n nuclear systems.

Physical models, cross sections, and numerical approximations used in MCNP and GEANT4 Monte Carlo codes for photon and electron absorbed fraction calculation.

PubMed

Yoriyaz, Hélio; Moralles, Maurício; Siqueira, Paulo de Tarso Dalledone; Guimarães, Carla da Costa; Cintra, Felipe Belonsi; dos Santos, Adimir

2009-11-01

Radiopharmaceutical applications in nuclear medicine require a detailed dosimetry estimate of the radiation energy delivered to the human tissues. Over the past years, several publications addressed the problem of internal dose estimate in volumes of several sizes considering photon and electron sources. Most of them used Monte Carlo radiation transport codes. Despite the widespread use of these codes due to the variety of resources and potentials they offered to carry out dose calculations, several aspects like physical models, cross sections, and numerical approximations used in the simulations still remain an object of study. Accurate dose estimate depends on the correct selection of a set of simulation options that should be carefully chosen. This article presents an analysis of several simulation options provided by two of the most used codes worldwide: MCNP and GEANT4. For this purpose, comparisons of absorbed fraction estimates obtained with different physical models, cross sections, and numerical approximations are presented for spheres of several sizes and composed as five different biological tissues. Considerable discrepancies have been found in some cases not only between the different codes but also between different cross sections and algorithms in the same code. Maximum differences found between the two codes are 5.0% and 10%, respectively, for photons and electrons. Even for simple problems as spheres and uniform radiation sources, the set of parameters chosen by any Monte Carlo code significantly affects the final results of a simulation, demonstrating the importance of the correct choice of parameters in the simulation.

Blind One-Bit Compressive Sampling

DTIC Science & Technology

2013-01-17

14] Q. Li, C. A. Micchelli, L. Shen, and Y. Xu, A proximity algorithm accelerated by Gauss - Seidel iterations for L1/TV denoising models, Inverse...methods for nonconvex optimization on the unit sphere and has a provable convergence guarantees. Binary iterative hard thresholding (BIHT) algorithms were... Convergence analysis of the algorithm is presented. Our approach is to obtain a sequence of optimization problems by successively approximating the ℓ0

The isotropic-nematic phase transition of tangent hard-sphere chain fluids—Pure components

NASA Astrophysics Data System (ADS)

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

2013-07-01

An extension of Onsager's second virial theory is developed to describe the isotropic-nematic phase transition of tangent hard-sphere chain fluids. Flexibility is introduced by the rod-coil model. The effect of chain-flexibility on the second virial coefficient is described using an accurate, analytical approximation for the orientation-dependent pair-excluded volume. The use of this approximation allows for an analytical treatment of intramolecular flexibility by using a single pure-component parameter. Two approaches to approximate the effect of the higher virial coefficients are considered, i.e., the Vega-Lago rescaling and Scaled Particle Theory (SPT). The Onsager trial function is employed to describe the orientational distribution function. Theoretical predictions for the equation of state and orientational order parameter are tested against the results from Monte Carlo (MC) simulations. For linear chains of length 9 and longer, theoretical results are in excellent agreement with MC data. For smaller chain lengths, small errors introduced by the approximation of the higher virial coefficients become apparent, leading to a small under- and overestimation of the pressure and density difference at the phase transition, respectively. For rod-coil fluids of reasonable rigidity, a quantitative comparison between theory and MC simulations is obtained. For more flexible chains, however, both the Vega-Lago rescaling and SPT lead to a small underestimation of the location of the phase transition.

A Unified Treatment of the Acoustic and Elastic Scattered Waves from Fluid-Elastic Media

NASA Astrophysics Data System (ADS)

Denis, Max Fernand

In this thesis, contributions are made to the numerical modeling of the scattering fields from fluid-filled poroelastic materials. Of particular interest are highly porous materials that demonstrate strong contrast to the saturating fluid. A Biot's analysis of porous medium serves as the starting point of the elastic-solid and pore-fluid governing equations of motion. The longitudinal scattering waves of the elastic-solid mode and the pore-fluid mode are modeled by the Kirchhoff-Helmholtz integral equation. The integral equation is evaluated using a series approximation, describing the successive perturbation of the material contrasts. To extended the series' validity into larger domains, rational fraction extrapolation methods are employed. The local Pade□ approximant procedure is a technique that allows one to extrapolate from a scattered field of small contrast into larger values, using Pade□ approximants. To ensure the accuracy of the numerical model, comparisons are made with the exact solution of scattering from a fluid sphere. Mean absolute error analyses, yield convergent and accurate results. In addition, the numerical model correctly predicts the Bragg peaks for a periodic lattice of fluid spheres. In the case of trabecular bones, the far-field scattering pressure attenuation is a superposition of the elastic-solid mode and the pore-fluid mode generated waves from the surrounding fluid and poroelastic boundaries. The attenuation is linearly dependent with frequency between 0.2 and 0.6MHz. The slope of the attenuation is nonlinear with porosity, and does not reflect the mechanical properties of the trabecular bone. The attenuation shows the anisotropic effects of the trabeculae structure. Thus, ultrasound can possibly be employed to non-invasively predict the principal structural orientation of trabecular bones.

Capture and separation of l-histidine through optimized zinc-decorated magnetic silica spheres.

PubMed

Cardoso, Vanessa F; Sebastián, Víctor; Silva, Carlos J R; Botelho, Gabriela; Lanceros-Méndez, Senentxu

2017-09-01

Zinc-decorated magnetic silica spheres were developed, optimized and tested for the capture and separation of l-histidine. The magnetic silica spheres were prepared using a simple sol-gel method and show excellent magnetic characteristics, adsorption capacity toward metal ions, and stability in aqueous solution in a wide pH range. The binding capacity of zinc-decorated magnetic silica spheres to histidine proved to be strongly influenced by the morphology, composition and concentration of metal at the surface of the magnetic silica spheres and therefore these parameters should be carefully controlled in order to maximize the performance for protein purification purposes. Optimized zinc-decorated magnetic silica spheres demonstrate a binding capacity to l-histidine of approximately 44mgg -1 at the optimum binding pH buffer. Copyright © 2017 Elsevier B.V. All rights reserved.

A Radial Axial-symmetric Intermediary Model for the Roto-orbital Motion

NASA Astrophysics Data System (ADS)

Crespo, F.; Molero, F. J.; Ferrer, S.; Scheeres, D. J.

2018-03-01

We study the roto-orbital dynamics of a uniform sphere and a body with axial symmetry by means of a radial intermediary, which defines an integrable system. Numerical comparisons of the MacCullagh's truncation of the gravity gradient potential and intermediary models are performed, concluding that the intermediary provides a valuable approximation with small differences when compared with the MacCullagh's one. Our analysis includes the analytical integration and a study of the special solutions and relative equilibria.

Properties of a soft-core model of methanol: An integral equation theory and computer simulation study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huš, Matej; Urbic, Tomaz, E-mail: tomaz.urbic@fkkt.uni-lj.si; Munaò, Gianmarco

Thermodynamic and structural properties of a coarse-grained model of methanol are examined by Monte Carlo simulations and reference interaction site model (RISM) integral equation theory. Methanol particles are described as dimers formed from an apolar Lennard-Jones sphere, mimicking the methyl group, and a sphere with a core-softened potential as the hydroxyl group. Different closure approximations of the RISM theory are compared and discussed. The liquid structure of methanol is investigated by calculating site-site radial distribution functions and static structure factors for a wide range of temperatures and densities. Results obtained show a good agreement between RISM and Monte Carlo simulations.more » The phase behavior of methanol is investigated by employing different thermodynamic routes for the calculation of the RISM free energy, drawing gas-liquid coexistence curves that match the simulation data. Preliminary indications for a putative second critical point between two different liquid phases of methanol are also discussed.« less

Improving scattering layer through mixture of nanoporous spheres and nanoparticles in ZnO-based dye-sensitized solar cells.

PubMed

Kim, Chohui; Choi, Hongsik; Kim, Jae Ik; Lee, Sangheon; Kim, Jinhyun; Lee, Woojin; Hwang, Taehyun; Kang, Suji; Moon, Taeho; Park, Byungwoo

2014-01-01

A scattering layer is utilized by mixing nanoporous spheres and nanoparticles in ZnO-based dye-sensitized solar cells. Hundred-nanometer-sized ZnO spheres consisting of approximately 35-nm-sized nanoparticles provide not only effective light scattering but also a large surface area. Furthermore, ZnO nanoparticles are added to the scattering layer to facilitate charge transport and increase the surface area as filling up large voids. The mixed scattering layer of nanoparticles and nanoporous spheres on top of the nanoparticle-based electrode (bilayer geometry) improves solar cell efficiency by enhancing both the short-circuit current (J sc) and fill factor (FF), compared to the layer consisting of only nanoparticles or nanoporous spheres.

The effective colloid interaction in the Asakura-Oosawa model. Assessment of non-pairwise terms from the virial expansion.

PubMed

Santos, Andrés; López de Haro, Mariano; Fiumara, Giacomo; Saija, Franz

2015-06-14

The relevance of neglecting three- and four-body interactions in the coarse-grained version of the Asakura-Oosawa model is examined. A mapping between the first few virial coefficients of the binary nonadditive hard-sphere mixture representative of this model and those arising from the coarse-grained (pairwise) depletion potential approximation allows for a quantitative evaluation of the effect of such interactions. This turns out to be especially important for large size ratios and large reservoir polymer packing fractions.

Integrated rheology model: Explosive Composition B-3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davis, Stephen M.; Zerkle, David K.; Smilowitz, Laura B.

Composition B-3 (Comp B-3) is a high explosive formulation composed of 60/40wt% RDX (1,3,5-trinitroperhydro-1,3,5-triazine) /TNT (2,4,6 trinitrotoluene). Above approximately 78°C this formulation partially melts to form a multiphase system with solid RDX particles in a molten TNT matrix. This multiphase system presents a number of phenomena that influence its apparent viscosity. In an earlier study explosive Composition B-3 (Comp B-3, 60/40wt% RDX/TNT) was examined for evidence of yield stress using a non-isothermal falling ball viscometer and a yield stress model was proposed in this paper. An integrated viscosity model suitable for use in computational fluid dynamics (CFD) simulations is developedmore » to capture the transition from a heterogeneous solid to a Bingham viscoplastic fluid. This viscosity model is used to simulate the motion of imbedded spheres falling through molten Comp B-3. Finally, comparison of the simulations to physical tests show agreement between the positions predicted by the model and the measured locations of the spheres as a function of temperature between 90C and 165C.« less

Integrated rheology model: Explosive Composition B-3

DOE PAGES

Davis, Stephen M.; Zerkle, David K.; Smilowitz, Laura B.; ...

2018-03-20

Composition B-3 (Comp B-3) is a high explosive formulation composed of 60/40wt% RDX (1,3,5-trinitroperhydro-1,3,5-triazine) /TNT (2,4,6 trinitrotoluene). Above approximately 78°C this formulation partially melts to form a multiphase system with solid RDX particles in a molten TNT matrix. This multiphase system presents a number of phenomena that influence its apparent viscosity. In an earlier study explosive Composition B-3 (Comp B-3, 60/40wt% RDX/TNT) was examined for evidence of yield stress using a non-isothermal falling ball viscometer and a yield stress model was proposed in this paper. An integrated viscosity model suitable for use in computational fluid dynamics (CFD) simulations is developedmore » to capture the transition from a heterogeneous solid to a Bingham viscoplastic fluid. This viscosity model is used to simulate the motion of imbedded spheres falling through molten Comp B-3. Finally, comparison of the simulations to physical tests show agreement between the positions predicted by the model and the measured locations of the spheres as a function of temperature between 90C and 165C.« less

Silk Nanospheres and Microspheres from Silk/PVA Blend Films for Drug Delivery

PubMed Central

Wang, Xiaoqin; Yucel, Tuna; Lu, Qiang; Hu, Xiao; Kaplan, David L.

2009-01-01

Silk fibroin protein-based micro- and nanospheres provide new options for drug delivery due to their biocompatibility, biodegradability and their tunable drug loading and release properties. In the present study, we report a new aqueous-based preparation method for silk spheres with controllable sphere size and shape. The preparation was based on phase separation between silk fibroin and polyvinyl alcohol (PVA) at a weight ratio of 1/1 and 1/4. Water-insoluble silk spheres were easily obtained from the blend in a three step process: (1) air-drying the blend solution into a film, (2) film dissolution in water and (3) removal of residual PVA by subsequent centrifugation. In both cases, the spheres had approximately 30% beta-sheet content and less than 5% residual PVA. Spindle-shaped silk particles, as opposed to the spherical particles formed above, were obtained by stretching the blend films before dissolving in water. Compared to the 1/1 ratio sample, the silk spheres prepared from the 1/4 ratio sample showed a more homogeneous size distribution ranging from 300 nm up to 20 μm. Further studies showed that sphere size and polydispersity could be controlled either by changing the concentration of silk and PVA or by applying ultrasonication on the blend solution. Drug loading was achieved by mixing model drugs in the original silk solution. The distribution and loading efficiency of the drug molecules in silk spheres depended on their hydrophobicity and charge, resulting in different drug release profiles. The entire fabrication procedure could be completed within one day. The only chemical used in the preparation except water was PVA, an FDA-approved ingredient in drug formulations. Silk micro- and nanospheres reported have potential as drug delivery carriers in a variety of biomedical applications. PMID:19945157

Elastic anisotropy of core samples from the Taiwan Chelungpu Fault Drilling Project (TCDP): direct 3-D measurements and weak anisotropy approximations

NASA Astrophysics Data System (ADS)

Louis, Laurent; David, Christian; Špaček, Petr; Wong, Teng-Fong; Fortin, Jérôme; Song, Sheng Rong

2012-01-01

The study of seismic anisotropy has become a powerful tool to decipher rock physics attributes in reservoirs or in complex tectonic settings. We compare direct 3-D measurements of P-wave velocity in 132 different directions on spherical rock samples to the prediction of the approximate model proposed by Louis et al. based on a tensorial approach. The data set includes measurements on dry spheres under confining pressure ranging from 5 to 200 MPa for three sandstones retrieved at a depth of 850, 1365 and 1394 metres in TCDP hole A (Taiwan Chelungpu Fault Drilling Project). As long as the P-wave velocity anisotropy is weak, we show that the predictions of the approximate model are in good agreement with the measurements. As the tensorial method is designed to work with cylindrical samples cored in three orthogonal directions, a significant gain both in the number of measurements involved and in sample preparation is achieved compared to measurements on spheres. We analysed the pressure dependence of the velocity field and show that as the confining pressure is raised the velocity increases, the anisotropy decreases but remains significant even at high pressure, and the shape of the ellipsoid representing the velocity (or elastic) fabric evolves from elongated to planar. These observations can be accounted for by considering the existence of both isotropic and anisotropic crack distributions and their evolution with applied pressure.

Electrokinetic transport of rigid macroions in the thin double layer limit: a boundary element approach.

PubMed

Allison, Stuart A; Xin, Yao

2005-08-15

A boundary element (BE) procedure is developed to numerically calculate the electrophoretic mobility of highly charged, rigid model macroions in the thin double layer regime based on the continuum primitive model. The procedure is based on that of O'Brien (R.W. O'Brien, J. Colloid Interface Sci. 92 (1983) 204). The advantage of the present procedure over existing BE methodologies that are applicable to rigid model macroions in general (S. Allison, Macromolecules 29 (1996) 7391) is that computationally time consuming integrations over a large number of volume elements that surround the model particle are completely avoided. The procedure is tested by comparing the mobilities derived from it with independent theory of the mobility of spheres of radius a in a salt solution with Debye-Huckel screening parameter, kappa. The procedure is shown to yield accurate mobilities provided (kappa)a exceeds approximately 50. The methodology is most relevant to model macroions of mean linear dimension, L, with 1000>(kappa)L>100 and reduced absolute zeta potential (q|zeta|/k(B)T) greater than 1.0. The procedure is then applied to the compact form of high molecular weight, duplex DNA that is formed in the presence of the trivalent counterion, spermidine, under low salt conditions. For T4 DNA (166,000 base pairs), the compact form is modeled as a sphere (diameter=600 nm) and as a toroid (largest linear dimension=600 nm). In order to reconcile experimental and model mobilities, approximately 95% of the DNA phosphates must be neutralized by bound counterions. This interpretation, based on electrokinetics, is consistent with independent studies.

Characterization of maximally random jammed sphere packings. III. Transport and electromagnetic properties via correlation functions

NASA Astrophysics Data System (ADS)

Klatt, Michael A.; Torquato, Salvatore

2018-01-01

In the first two papers of this series, we characterized the structure of maximally random jammed (MRJ) sphere packings across length scales by computing a variety of different correlation functions, spectral functions, hole probabilities, and local density fluctuations. From the remarkable structural features of the MRJ packings, especially its disordered hyperuniformity, exceptional physical properties can be expected. Here we employ these structural descriptors to estimate effective transport and electromagnetic properties via rigorous bounds, exact expansions, and accurate analytical approximation formulas. These property formulas include interfacial bounds as well as universal scaling laws for the mean survival time and the fluid permeability. We also estimate the principal relaxation time associated with Brownian motion among perfectly absorbing traps. For the propagation of electromagnetic waves in the long-wavelength limit, we show that a dispersion of dielectric MRJ spheres within a matrix of another dielectric material forms, to a very good approximation, a dissipationless disordered and isotropic two-phase medium for any phase dielectric contrast ratio. We compare the effective properties of the MRJ sphere packings to those of overlapping spheres, equilibrium hard-sphere packings, and lattices of hard spheres. Moreover, we generalize results to micro- and macroscopically anisotropic packings of spheroids with tensorial effective properties. The analytic bounds predict the qualitative trend in the physical properties associated with these structures, which provides guidance to more time-consuming simulations and experiments. They especially provide impetus for experiments to design materials with unique bulk properties resulting from hyperuniformity, including structural-color and color-sensing applications.

Three Dimensional Characterization of Typical Urban and Desert Particles: Implications to Particle Optics

NASA Astrophysics Data System (ADS)

Goel, V.; Mishra, S.; Ahlawat, A. S.; Sharma, C.; Kotnala, R. K.

2017-12-01

Aerosol particles are generally considered as chemically homogeneous spheres in the retrieval techniques of ground and space borne observations which is not accurate approach and can lead to erroneous observations. For better simulation of optical and radiative properties of aerosols, a good knowledge of aerosol's morphology, chemical composition and internal structure is essential. Till date, many studies have reported the morphology and chemical composition of particles but very few of them provide internal structure and spatial distribution of different chemical species within the particle. The research on the effect of particle internal structure and its contribution to particle optics is extremely limited. In present work, we characterize the PM10 particles collected form typical arid (the Thar Desert, Rajasthan, India) and typical urban (New Delhi, India) environment using microscopic techniques. The particles were milled several times to investigate their internal structure. The EDS (Energy Dispersive X-ray Spectroscopy) spectra were recorded after each milling to check the variation in the chemical composition. In arid environment, Fe, Ca, C, Al, and Mg rich shell was observed over a Si rich particle whereas in urban environment, shell of Hg, Ag, C and N was observed over a Cu rich particle. Based on the observations, different model shapes [homogenous sphere and spheroid; heterogeneous sphere and spheroid; core shell] have been considered for assessing the associated uncertainties with the routine modeling of optical properties where volume equivalent homogeneous sphere approximation is considered. The details will be discussed during presentation.

Controllable Fabrication and Optical Properties of Uniform Gadolinium Oxysulfate Hollow Spheres

PubMed Central

Chen, Fashen; Chen, Gen; Liu, Tao; Zhang, Ning; Liu, Xiaohe; Luo, Hongmei; Li, Junhui; Chen, Limiao; Ma, Renzhi; Qiu, Guanzhou

2015-01-01

Uniform gadolinium oxysulfate (Gd2O2SO4) hollow spheres were successfully fabricated by calcination of corresponding Gd-organic precursor obtained via a facile hydrothermal process. The Gd2O2SO4 hollow spheres have a mean diameter of approximately 550 nm and shell thickness in the range of 30–70 nm. The sizes and morphologies of as-prepared Gd2O2SO4 hollow spheres could be deliberately controlled by adjusting the experimental parameters. Eu-doped Gd2O2SO4 hollow spheres have also been prepared for the property modification and practical applications. The structure, morphology, and properties of as-prepared products were characterized by XRD, TEM, HRTEM, SEM and fluorescence spectrophotometer. Excited with ultraviolet (UV) pump laser, successful downconversion (DC) could be achieved for Eu-doped Gd2O2SO4 hollow spheres. PMID:26671661

Freezing of soft spheres: A critical test for weighted-density-functional theories

NASA Astrophysics Data System (ADS)

Laird, Brian B.; Kroll, D. M.

1990-10-01

We study the freezing properties of systems with inverse-power and Yukawa interactions (soft spheres), using recently developed weighted-density-functional theories. We find that the modified weighted-density-functional approximation (MWDA) of Denton and Ashcroft yields results for the liquid to face-centered-cubic (fcc) structure transition that represent a significant improvement over those of earlier ``second-order'' density-functional freezing theories; however, this theory, like the earlier ones, fails to predict any liquid to body-centered-cubic (bcc) transition, even under conditions where the computer simulations indicate that this should be the equilibrium solid structure. In addition, we show that both the modified effective-liquid approximation (MELA) of Baus [J. Phys. Condens. Matter 2, 2111 (1990)] and the generalized effective-liquid approximation of Lutsko and Baus [Phys. Rev. Lett. 64, 761 (1990)], while giving excellent results for the freezing of hard spheres, fail completely to predict freezing into either fcc or bcc solid phases for soft inverse-power potentials. We also give an alternate derivation of the MWDA that makes clearer its connection to earlier theories.

Development of paclitaxel-TyroSpheres for topical skin treatment

PubMed Central

Kilfoyle, Brian E.; Sheihet, Larisa; Zhang, Zheng; Laohoo, Marissa; Kohn, Joachim; Michniak-Kohn, Bozena B.

2012-01-01

A potential topical psoriasis therapy has been developed consisting of tyrosine-derived nanospheres (TyroSpheres) with encapsulated anti-proliferative paclitaxel. TyroSpheres provide enhancement of paclitaxel solubility (almost 4,000 times greater than PBS) by effective encapsulation and enable sustained, dose-controlled release over 72 hours under conditions mimicking skin permeation. TyroSpheres offer potential in the treatment of psoriasis, a disease resulting from over-proliferation of keratinocytes in the basal layer of the epidermis, by (a) enabling delivery of paclitaxel into the epidermis at concentrations >100 ng/cm2 of skin surface area and (b) enhancing the cytotoxicity of loaded paclitaxel to human keratinocytes (IC50 of paclitaxel-TyroSpheres was approximately 45% lower than that of free paclitaxel). TyroSpheres were incorporated into a gel-like viscous formulation to improve their flow characteristics with no impact on homogeneity, release or skin distribution of the payload. The findings reported here confirm that the TyroSpheres provide a platform for paclitaxel topical administration allowing skin drug localization and minimal systemic escape. PMID:22732474

Osteogenic potency of a 3-dimensional scaffold-free bonelike sphere of periodontal ligament stem cells in vitro.

PubMed

Singhatanadgit, Weerachai; Varodomrujiranon, Manatsanan

2013-12-01

The present study aimed to investigate the osteogenic potency of scaffold-free 3-dimensional (3D) spheres of periodontal ligament stem cells (PDLSCs). The osteogenic potency of PDLSC spheres was determined by the ability to form mineralization and to express key osteogenesis-associated genes. The alkaline phosphatase (ALP) activity and the protein content of PDLSC spheres were also measured. The 3D sphere developed its osteogenic potency in a time-dependent manner, containing approximately 10-fold higher mineralization, 5-fold higher protein content, and 4-fold greater ALP activity than those in the controls. The expression of key osteogenic genes was also upregulated in the 3D PDLSC spheres. Cellular outgrowth was observed when reintroduced into 2D culture. PDLSCs were able to undergo osteogenic differentiation in a scaffold-free 3D culture, producing bonelike mineralization in vitro. This suggests, at least in vitro, the osteogenic potency of the 3D PDLSC spheres. Copyright © 2013 Elsevier Inc. All rights reserved.

Modelling the light-scattering properties of a planetary-regolith analog sample

NASA Astrophysics Data System (ADS)

Vaisanen, T.; Markkanen, J.; Hadamcik, E.; Levasseur-Regourd, A. C.; Lasue, J.; Blum, J.; Penttila, A.; Muinonen, K.

2017-12-01

Solving the scattering properties of asteroid surfaces can be made cheaper, faster, and more accurate with reliable physics-based electromagnetic scattering programs for large and dense random media. Existing exact methods fail to produce solutions for such large systems and it is essential to develop approximate methods. Radiative transfer (RT) is an approximate method which works for sparse random media such as atmospheres fails when applied to dense media. In order to make the method applicable to dense media, we have developed a radiative-transfer coherent-backscattering method (RT-CB) with incoherent interactions. To show the current progress with the RT-CB, we have modeled a planetary-regolith analog sample. The analog sample is a low-density agglomerate produced by random ballistic deposition of almost equisized silicate spheres studied using the PROGRA2-surf experiment. The scattering properties were then computed with the RT-CB assuming that the silicate spheres were equisized and that there were a Gaussian particle size distribution. The results were then compared to the measured data and the intensity plot is shown below. The phase functions are normalized to unity at the 40-deg phase angle. The tentative intensity modeling shows good match with the measured data, whereas the polarization modeling shows discrepancies. In summary, the current RT-CB modeling is promising, but more work needs to be carried out, in particular, for modeling the polarization. Acknowledgments. Research supported by European Research Council with Advanced Grant No. 320773 SAEMPL, Scattering and Absorption of ElectroMagnetic waves in ParticuLate media. Computational resources provided by CSC - IT Centre for Science Ltd, Finland.

Investigation and Comparison between New Satellite Impact Test Results and NASA Standard Breakup Model

NASA Technical Reports Server (NTRS)

Sakuraba, K.; Tsuruda, Y.; Hanada, T.; Liou, J.-C.; Akahoshi, Y.

2007-01-01

This paper summarizes two new satellite impact tests conducted in order to investigate on the outcome of low- and hyper-velocity impacts on two identical target satellites. The first experiment was performed at a low velocity of 1.5 km/s using a 40-gram aluminum alloy sphere, whereas the second experiment was performed at a hyper-velocity of 4.4 km/s using a 4-gram aluminum alloy sphere by two-stage light gas gun in Kyushu Institute of Technology. To date, approximately 1,500 fragments from each impact test have been collected for detailed analysis. Each piece was analyzed based on the method used in the NASA Standard Breakup Model 2000 revision. The detailed analysis will conclude: 1) the similarity in mass distribution of fragments between low and hyper-velocity impacts encourages the development of a general-purpose distribution model applicable for a wide impact velocity range, and 2) the difference in area-to-mass ratio distribution between the impact experiments and the NASA standard breakup model suggests to describe the area-to-mass ratio by a bi-normal distribution.

Accelerating the coupled-cluster singles and doubles method using the chain-of-sphere approximation

NASA Astrophysics Data System (ADS)

Dutta, Achintya Kumar; Neese, Frank; Izsák, Róbert

2018-06-01

In this paper, we present a chain-of-sphere implementation of the external exchange term, the computational bottleneck of coupled-cluster calculations at the singles and doubles level. This implementation is compared to standard molecular orbital, atomic orbital and resolution of identity implementations of the same term within the ORCA package and turns out to be the most efficient one for larger molecules, with a better accuracy than the resolution-of-identity approximation. Furthermore, it becomes possible to perform a canonical CC calculation on a tetramer of nucleobases in 17 days, 20 hours.

Light scattering by nonspherical particles: Remote sensing and climatic implications

NASA Astrophysics Data System (ADS)

Liou, K. N.; Takano, Y.

Calculations of the scattering and adsorption properties of ice crystals and aerosols, which are usually nonspherical, require specific methodologies. There is no unique theoretical solution for the scattering by nonspherical particles. Practically, all the numerical solutions for the scattering of nonspherical particles, including the exact wave equation approach, integral equation method, and discrete-dipole approximation, are applicable only to size parameters less than about 20. Thus, these methods are useful for the study of radiation problems involving nonspherical aerosols and small ice crystals in the thermal infrared wavelengths. The geometric optics approximation has been used to evaluate the scattering, absorption and polarization properties of hexagonal ice crystals whose sizes are much larger than the incident wavelength. This approximation is generally valid for hexagonal ice crystals with size parameters larger than about 30. From existing laboratory data and theoretical results, we illustrate that nonspherical particles absorb less and have a smaller asymmetry factor than the equal-projected area/volume spherical counterparts. In particular, we show that hexagonal ice crystals exhibit numerous halo and arc features that cannot be obtained from spherical particles; and that ice crystals scatter more light in the 60° to 140° scattering angle regions than the spherical counterparts. Satellite remote sensing of the optical depth and height of cirrus clouds using visible and IR channels must use appropriate phase functions for ice crystals. Use of an equivalent sphere model would lead to a significant overestimation and underestimation of the cirrus optical depth and height, respectively. Interpretation of the measurements for polarization reflected from sunlight involving cirrus clouds cannot be made without an appropriate ice crystal model. Large deviations exist for the polarization patterns between spheres and hexagonal ice crystals. Interpretation of lidar backscattering and depolarization signals must also utilize the scattering characteristics of hexagonal ice crystals. Equivalent spherical models substantially underestimate the broadband solar albedos of ice crystal clouds because of stronger forward scattering and larger absorption by spherical particles than hexagonal ice crystals. We illustrate that the net cloud radiative forcing at the top of the atmosphere involving most cirrus clouds is positive, implying that the IR greenhouse effect outweighs the solar albedo effect. If the radiative properties of equivalent spheres are used, a significant increase in cloud radiative forcing occurs. Using a one-dimensional cloud and climate model, we further demonstrate that there is sufficient model sensitivity, in terms of temperature increase, to the use of ice crystal models in radiation calculations.

Higher Order, Hybrid BEM/FEM Methods Applied to Antenna Modeling

NASA Technical Reports Server (NTRS)

Fink, P. W.; Wilton, D. R.; Dobbins, J. A.

2002-01-01

In this presentation, the authors address topics relevant to higher order modeling using hybrid BEM/FEM formulations. The first of these is the limitation on convergence rates imposed by geometric modeling errors in the analysis of scattering by a dielectric sphere. The second topic is the application of an Incomplete LU Threshold (ILUT) preconditioner to solve the linear system resulting from the BEM/FEM formulation. The final tOpic is the application of the higher order BEM/FEM formulation to antenna modeling problems. The authors have previously presented work on the benefits of higher order modeling. To achieve these benefits, special attention is required in the integration of singular and near-singular terms arising in the surface integral equation. Several methods for handling these terms have been presented. It is also well known that achieving he high rates of convergence afforded by higher order bases may als'o require the employment of higher order geometry models. A number of publications have described the use of quadratic elements to model curved surfaces. The authors have shown in an EFIE formulation, applied to scattering by a PEC .sphere, that quadratic order elements may be insufficient to prevent the domination of modeling errors. In fact, on a PEC sphere with radius r = 0.58 Lambda(sub 0), a quartic order geometry representation was required to obtain a convergence benefi.t from quadratic bases when compared to the convergence rate achieved with linear bases. Initial trials indicate that, for a dielectric sphere of the same radius, - requirements on the geometry model are not as severe as for the PEC sphere. The authors will present convergence results for higher order bases as a function of the geometry model order in the hybrid BEM/FEM formulation applied to dielectric spheres. It is well known that the system matrix resulting from the hybrid BEM/FEM formulation is ill -conditioned. For many real applications, a good preconditioner is required to obtain usable convergence from an iterative solver. The authors have examined the use of an Incomplete LU Threshold (ILUT) preconditioner . to solver linear systems stemming from higher order BEM/FEM formulations in 2D scattering problems. Although the resulting preconditioner provided aD excellent approximation to the system inverse, its size in terms of non-zero entries represented only a modest improvement when compared with the fill-in associated with a sparse direct solver. Furthermore, the fill-in of the preconditioner could not be substantially reduced without the occurrence of instabilities. In addition to the results for these 2D problems, the authors will present iterative solution data from the application of the ILUT preconditioner to 3D problems.

Modeling scattering enhancements at isolated resonances using energy conservation, reciprocity, symmetry, and the optical theorem

NASA Astrophysics Data System (ADS)

Marston, Philip L.; Osterhoudt, Curtis F.

2003-04-01

Sound scattered by some objects in water exhibits isolated narrow resonances that are sufficiently large in amplitude to dominate the low-frequency scattering. Examples include the quadrupole mode of thin spherical shells and of solid plastic spheres [B. T. Hefner and P. L. Marston, J. Acoust. Soc. Am. 107, 1930-1936 (2000)] and organ-pipe modes of water-filled pipes [C. F. Osterhoudt and P. L. Marston, J. Acoust. Soc. Am. 110, 2773 (2001)]. This presentation concerns simple methods for approximating the scattering. In the case of spheres, ray theory for the backscattering reduces to a simple form for high-Q modes: Eq. (58) of Marston [J. Acoust. Soc. Am. 83, 25-37 (1988)]. This result gives the backscattering form function at resonance (in the usual normalization) to have the magnitude 2(2n+1)/ka. Here n is the partial wave index associated with the mode of the sphere and ka is the product of the wave number and the sphere radius. This result may also be derived directly from energy conservation and the optical theorem. Scattering amplitudes associated with high-Q organ pipe resonances of open cylindrical pipes are also derived here by a related method using the energy conservation, reciprocity, symmetry, and the optical theorem.

Microviscoelasticity of adhesive hard sphere dispersions: tracer particle microrheology of aqueous Pluronic L64 solutions.

PubMed

Kloxin, Christopher J; van Zanten, John H

2009-10-07

DWS-based tracer particle microrheology is demonstrated to be a useful way to study the dynamics of aqueous Pluronic L64 solutions, which is viewed as a model adhesive hard sphere (AHS) system. The short-time dynamics of aqueous Pluronic L64 solutions indicate a purely hydrodynamic high frequency microviscosity as predicted by Batchelor for colloidal dispersions. The evolution of the micellar dynamics reveals a zero shear microviscosity in good agreement with steady shear viscosity measurements. As the temperature is increased, the dynamics become dominated by an apparent attractive intermicellar potential observed in microscopic creep measurements. While Pluronic L64 solutions have been reported to form a percolated micellar network, DWS-based microviscoelasticity measurements do not detect the previously observed G(') approximately G(") approximately omega(Delta) scaling expected for a static percolated network at low frequencies. This most likely owes to the fact that tracer particle microrheology is dominated by local Pluronic L64 micelle dynamics in the near sphere region and not the bulk mechanical properties as measured by traditional rheometry. The sensitivity of tracer particle microrheological measurements to the true dynamic nature of the percolated network in weak physical gels highlights the distinct differences between these micro- and macrorheology measurement techniques. Such discrepancies should be most evident in systems that are dominated by association processes such as those occurring in AHS solutions or polymer solutions approaching a phase boundary. Despite this, the AHS potential is qualitatively consistent with the results found here.

Pressure and compressibility factor of bidisperse magnetic fluids

NASA Astrophysics Data System (ADS)

Minina, Elena S.; Blaak, Ronald; Kantorovich, Sofia S.

2018-04-01

In this work, we investigate the pressure and compressibility factors of bidisperse magnetic fluids with relatively weak dipolar interactions and different granulometric compositions. In order to study these properties, we employ the method of diagram expansion, taking into account two possible scenarios: (1) dipolar particles repel each other as hard spheres; (2) the polymer shell on the surface of the particles is modelled through a soft-sphere approximation. The theoretical predictions of the pressure and compressibility factors of bidisperse ferrofluids at different granulometric compositions are supported by data obtained by means of molecular dynamics computer simulations, which we also carried out for these systems. Both theory and simulations reveal that the pressure and compressibility factors decrease with growing dipolar correlations in the system, namely with an increasing fraction of large particles. We also demonstrate that even if dipolar interactions are too weak for any self-assembly to take place, the interparticle correlations lead to a qualitative change in the behaviour of the compressibility factors when compared to that of non-dipolar spheres, making the dependence monotonic.

Theoretical study of symmetry of flux onto a capsule

NASA Astrophysics Data System (ADS)

Duan, Hao; Wu, Changshu; Pei, Wenbing; Zou, Shiyang

2015-09-01

An analytic model to describe the flux asymmetry onto a capsule based on the viewfactor approximation is developed and verified with numerical simulations. By using a nested spheres technique to represent the various sources of flux asymmetry, the model can treat spherically and cylindrically symmetric hohlraums, e.g., cylinder, elliptic, and rugby. This approach includes the more realistic case of frequency-dependent flux asymmetry compared with the more standard frequency-integrated or single-frequency approaches [D. W. Phillion and S. M. Pollaine, Phys. Plasmas 1, 2963 (1994)]. Correspondingly, the approach can be used to assess x-ray preheat asymmetry generated from localized laser absorption in the high-Z hohlraum wall. For spherical hohlraums with 4, 6, or 8 laser entrance holes (LEHs), an optimal configuration of LEHs, laser spot placement, and angle-of-incidence of the single-ringed laser beams is defined. An analogy between minimizing the flux asymmetry onto a capsule and the Thomson problem of point charge placement on a sphere for minimized energy is shown.

Theoretical study of symmetry of flux onto a capsule

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duan, Hao; Wu, Changshu; Zou, Shiyang, E-mail: duan-hao@iapcm.ac.cn

2015-09-15

An analytic model to describe the flux asymmetry onto a capsule based on the viewfactor approximation is developed and verified with numerical simulations. By using a nested spheres technique to represent the various sources of flux asymmetry, the model can treat spherically and cylindrically symmetric hohlraums, e.g., cylinder, elliptic, and rugby. This approach includes the more realistic case of frequency-dependent flux asymmetry compared with the more standard frequency-integrated or single-frequency approaches [D. W. Phillion and S. M. Pollaine, Phys. Plasmas 1, 2963 (1994)]. Correspondingly, the approach can be used to assess x-ray preheat asymmetry generated from localized laser absorption inmore » the high-Z hohlraum wall. For spherical hohlraums with 4, 6, or 8 laser entrance holes (LEHs), an optimal configuration of LEHs, laser spot placement, and angle-of-incidence of the single-ringed laser beams is defined. An analogy between minimizing the flux asymmetry onto a capsule and the Thomson problem of point charge placement on a sphere for minimized energy is shown.« less

Relaxation and approximate factorization methods for the unsteady full potential equation

NASA Technical Reports Server (NTRS)

Shankar, V.; Ide, H.; Gorski, J.

1984-01-01

The unsteady form of the full potential equation is solved in conservation form, using implicit methods based on approximate factorization and relaxation schemes. A local time linearization for density is introduced to enable solution to the equation in terms of phi, the velocity potential. A novel flux-biasing technique is applied to generate proper forms of the artificial viscosity, to treat hyperbolic regions with shocks and sonic lines present. The wake is properly modeled by accounting not only for jumps in phi, but also for jumps in higher derivatives of phi obtained from requirements of density continuity. The far field is modeled using the Riemann invariants to simulate nonreflecting boundary conditions. Results are presented for flows over airfoils, cylinders, and spheres. Comparisons are made with available Euler and full potential results.

A kinetic theory description of the viscosity of dense fluids consisting of chain molecules.

PubMed

de Wijn, Astrid S; Vesovic, Velisa; Jackson, George; Trusler, J P Martin

2008-05-28

An expression for the viscosity of a dense fluid is presented that includes the effect of molecular shape. The molecules of the fluid are approximated by chains of equal-sized, tangentially jointed, rigid spheres. It is assumed that the collision dynamics in such a fluid can be approximated by instantaneous collisions between two rigid spheres belonging to different chains. The approach is thus analogous to that of Enskog for a fluid consisting of rigid spheres. The description is developed in terms of two molecular parameters, the diameter sigma of the spherical segment and the chain length (number of segments) m. It is demonstrated that an analysis of viscosity data of a particular pure fluid alone cannot be used to obtain independently effective values of both sigma and m. Nevertheless, the chain lengths of n-alkanes are determined by assuming that the diameter of each rigid sphere making up the chain can be represented by the diameter of a methane molecule. The effective chain lengths of n-alkanes are found to increase linearly with the number C of carbon atoms present. The dependence can be approximated by a simple relationship m=1+(C-1)3. The same relationship was reported within the context of a statistical associating fluid theory equation of state treatment of the fluid, indicating that both the equilibrium thermodynamic properties and viscosity yield the same value for the chain lengths of n-alkanes.

Strong and weak adsorptions of polyelectrolyte chains onto oppositely charged spheres

NASA Astrophysics Data System (ADS)

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

2006-08-01

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

Three-Dimensional Visualization of Wave Functions for Rotating Molecule: Plot of Spherical Harmonics

ERIC Educational Resources Information Center

Nagaoka, Shin-ichi; Teramae, Hiroyuki; Nagashima, Umpei

2013-01-01

At an early stage of learning quantum chemistry, undergraduate students usually encounter the concepts of the particle in a box, the harmonic oscillator, and then the particle on a sphere. Rotational levels of a diatomic molecule can be well approximated by the energy levels of the particle on a sphere. Wave functions for the particle in a…

The quadrupole model for rigid-body gravity simulations

NASA Astrophysics Data System (ADS)

Dobrovolskis, Anthony R.; Korycansky, D. G.

2013-07-01

We introduce two new models for gravitational simulations of systems of non-spherical bodies, such as comets and asteroids. In both models, one body (the "primary") may be represented by any convenient means, to arbitrary accuracy. In our first model, all of the other bodies are represented by small gravitational "molecules" consisting of a few point masses, rigidly linked together. In our second model, all of the other bodies are treated as point quadrupoles, with gravitational potentials including spherical harmonic terms up to the third degree (rather than only the first degree, as for ideal spheres or point masses). This quadrupole formulation may be regarded as a generalization of MacCullagh's approximation. Both models permit the efficient calculation of the interaction energy, the force, and the torque acting on a small body in an arbitrary external gravitational potential. We test both models for the cases of a triaxial ellipsoid, a rectangular parallelepiped, and "duplex" combinations of two spheres, all in a point-mass potential. These examples were chosen in order to compare the accuracy of our technique with known analytical results, but the ellipsoid and duplex are also useful models for comets and asteroids. We find that both approaches show significant promise for more efficient gravitational simulations of binary asteroids, for example. An appendix also describes the duplex model in detail.

Experiments on the high-temperature behaviour of neutron-irradiated uranium dioxide and fission products, volume 8, number 1

NASA Astrophysics Data System (ADS)

Tanke, R. H. J.

The release rate of fission products from overheated UO2, the chemical form of these fission products, and the transport mechanism inside the nuclear fuel are determined. UO spheres of approximately 1 mm diameter, irradiated in a high-flux reactor were used for the experiments. The chemical forms of the particles released from the spheres during evaporation were determined by mass spectrometry and the release rate of the mission products was determined by gamma spectrometry. A gamma topographer was developed to determine the change with temperature in the three dimensional distribution of radioactive fission products in the spheres. No clear relationship between the stoichiometry of the spheres and uranium consumption were shown. A diffusion model was used to determine the activation energy for the diffusion of fission products. It is concluded that the microstructure of the nuclear fuel greatly affects the number of free oxygen atoms, the release rate and the chemical form of the fission products. The evaporation of the UO2 matrix is the main mechanism for the release of all fission products at temperatures above 2300 K. Barium can be as volatile as iodine. Niobium and lanthenum can be volatile. Molecular combinations of the fission products, iodine, cesium and tellurium, are highly unlikely to be present inside the fuel. Barium and nobium may form compounds with oxygen and are then released as simple oxides. Fission products are released from overheated UO2 or as oxides. A new model is proposed for describing the behavior of oxygen in irradiated nuclear fuel.

Penetrable square-well fluids: exact results in one dimension.

PubMed

Santos, Andrés; Fantoni, Riccardo; Giacometti, Achille

2008-05-01

We introduce a model of attractive penetrable spheres by adding a short-range attractive square well outside a penetrable core, and we provide a detailed analysis of structural and thermodynamical properties in one dimension using the exact impenetrable counterpart as a starting point. The model is expected to describe star polymers in regimes of good and moderate solvent under dilute conditions. We derive the exact coefficients of a low-density expansion up to second order for the radial distribution function and up to fourth order in the virial expansion. These exact results are used as a benchmark to test the reliability of approximate theories (Percus-Yevick and hypernetted chain). Notwithstanding the lack of an exact solution for arbitrary densities, our results are expected to be rather precise within a wide range of temperatures and densities. A detailed analysis of some limiting cases is carried out. In particular, we provide a complete solution of the sticky penetrable-sphere model in one dimension up to the same order in density. The issue of Ruelle's thermodynamics stability is analyzed and the region of a well-defined thermodynamic limit is identified.

Reference hypernetted chain theory for ferrofluid bilayer: Distribution functions compared with Monte Carlo

NASA Astrophysics Data System (ADS)

Polyakov, Evgeny A.; Vorontsov-Velyaminov, Pavel N.

2014-08-01

Properties of ferrofluid bilayer (modeled as a system of two planar layers separated by a distance h and each layer carrying a soft sphere dipolar liquid) are calculated in the framework of inhomogeneous Ornstein-Zernike equations with reference hypernetted chain closure (RHNC). The bridge functions are taken from a soft sphere (1/r12) reference system in the pressure-consistent closure approximation. In order to make the RHNC problem tractable, the angular dependence of the correlation functions is expanded into special orthogonal polynomials according to Lado. The resulting equations are solved using the Newton-GRMES algorithm as implemented in the public-domain solver NITSOL. Orientational densities and pair distribution functions of dipoles are compared with Monte Carlo simulation results. A numerical algorithm for the Fourier-Hankel transform of any positive integer order on a uniform grid is presented.

Estimation of the outer-sphere contribution to the activation volume for electron exchange reactions using the mean spherical approximation

NASA Astrophysics Data System (ADS)

Takagi, Hideo D.; Swaddle, Thomas W.

1996-01-01

The outer-sphere contribution to the volume of activation of homogeneous electron exchange reactions is estimated for selected solvents on the basis of the mean spherical approximation (MSA), and the calculated values are compared with those estimated by the Strank-Hush-Marcus (SHM) theory and with activation volumes obtained experimentally for the electron exchange reaction between tris(hexafluoroacetylacetonato)ruthenium(III) and -(II) in acetone, acetonitrile, methanol and chloroform. The MSA treatment, which recognizes the molecular nature of the solvent, does not improve significantly upon the continuous-dielectric SHM theory, which represents the experimental data adequately for the more polar solvents.

A Multiple Sphere T-Matrix Fortran Code for Use on Parallel Computer Clusters

NASA Technical Reports Server (NTRS)

Mackowski, D. W.; Mishchenko, M. I.

2011-01-01

A general-purpose Fortran-90 code for calculation of the electromagnetic scattering and absorption properties of multiple sphere clusters is described. The code can calculate the efficiency factors and scattering matrix elements of the cluster for either fixed or random orientation with respect to the incident beam and for plane wave or localized- approximation Gaussian incident fields. In addition, the code can calculate maps of the electric field both interior and exterior to the spheres.The code is written with message passing interface instructions to enable the use on distributed memory compute clusters, and for such platforms the code can make feasible the calculation of absorption, scattering, and general EM characteristics of systems containing several thousand spheres.

Structure and osmotic pressure of ionic microgel dispersions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hedrick, Mary M.; Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58108-6050; Chung, Jun Kyung

We investigate structural and thermodynamic properties of aqueous dispersions of ionic microgels—soft colloidal gel particles that exhibit unusual phase behavior. Starting from a coarse-grained model of microgel macroions as charged spheres that are permeable to microions, we perform simulations and theoretical calculations using two complementary implementations of Poisson-Boltzmann (PB) theory. Within a one-component model, based on a linear-screening approximation for effective electrostatic pair interactions, we perform molecular dynamics simulations to compute macroion-macroion radial distribution functions, static structure factors, and macroion contributions to the osmotic pressure. For the same model, using a variational approximation for the free energy, we compute bothmore » macroion and microion contributions to the osmotic pressure. Within a spherical cell model, which neglects macroion correlations, we solve the nonlinear PB equation to compute microion distributions and osmotic pressures. By comparing the one-component and cell model implementations of PB theory, we demonstrate that the linear-screening approximation is valid for moderately charged microgels. By further comparing cell model predictions with simulation data for osmotic pressure, we chart the cell model’s limits in predicting osmotic pressures of salty dispersions.« less

Free energy and internal energy of electron-screened plasmas in a modified hypernetted-chain approximation

NASA Astrophysics Data System (ADS)

Perrot, F.

1991-12-01

We report results of Helmholtz-free-energy and internal-energy calculations using the modified hypernetted-chain (MHNC) equation method, in the formulation of Lado, Foiles, and Ashcroft [Phys. Rev. A 28, 2374 (1983)], for a model plasma of ions linearly screened by electrons. The results are compared with HNC calculations (no Bridge term), with variational calculations using a hard-spheres reference system, and with a numerical fit of Monte Carlo simulations.

Lidar inelastic multiple-scattering parameters of cirrus particle ensembles determined with geometrical-optics crystal phase functions.

PubMed

Reichardt, J; Hess, M; Macke, A

2000-04-20

Multiple-scattering correction factors for cirrus particle extinction coefficients measured with Raman and high spectral resolution lidars are calculated with a radiative-transfer model. Cirrus particle-ensemble phase functions are computed from single-crystal phase functions derived in a geometrical-optics approximation. Seven crystal types are considered. In cirrus clouds with height-independent particle extinction coefficients the general pattern of the multiple-scattering parameters has a steep onset at cloud base with values of 0.5-0.7 followed by a gradual and monotonic decrease to 0.1-0.2 at cloud top. The larger the scattering particles are, the more gradual is the rate of decrease. Multiple-scattering parameters of complex crystals and of imperfect hexagonal columns and plates can be well approximated by those of projected-area equivalent ice spheres, whereas perfect hexagonal crystals show values as much as 70% higher than those of spheres. The dependencies of the multiple-scattering parameters on cirrus particle spectrum, base height, and geometric depth and on the lidar parameters laser wavelength and receiver field of view, are discussed, and a set of multiple-scattering parameter profiles for the correction of extinction measurements in homogeneous cirrus is provided.

Criticality in charge-asymmetric hard-sphere ionic fluids.

PubMed

Aqua, Jean-Noël; Banerjee, Shubho; Fisher, Michael E

2005-10-01

Phase separation and criticality are analyzed in z:1 charge-asymmetric ionic fluids of equisized hard spheres by generalizing the Debye-Hückel approach combined with ionic association, cluster solvation by charged ions, and hard-core interactions, following lines developed by Fisher and Levin for the 1:1 case (i.e., the restricted primitive model). Explicit analytical calculations for 2:1 and 3:1 systems account for ionic association into dimers, trimers, and tetramers and subsequent multipolar cluster solvation. The reduced critical temperatures, Tc* (normalized by z), decrease with charge asymmetry, while the critical densities increase rapidly with . The results compare favorably with simulations and represent a distinct improvement over all current theories such as the mean spherical approximation, symmetric Poisson-Boltzmann theory, etc. For z not equal to 1, the interphase Galvani (or absolute electrostatic) potential difference, Deltaphi(T), between coexisting liquid and vapor phases is calculated and found to vanish as absolute value (T-Tc) beta when T-->Tc-with, since our approximations are classical, beta = (1/2). Above Tc, the compressibility maxima and so-called k-inflection loci (which aid the fast and accurate determination of the critical parameters) are found to exhibit a strong z dependence.

Talar dome detection and its geometric approximation in CT: Sphere, cylinder or bi-truncated cone?

PubMed

Huang, Junbin; Liu, He; Wang, Defeng; Griffith, James F; Shi, Lin

2017-04-01

The purpose of our study is to give a relatively objective definition of talar dome and its shape approximations to sphere (SPH), cylinder (CLD) and bi-truncated cone (BTC). The "talar dome" is well-defined with the improved Dijkstra's algorithm, considering the Euclidean distance and surface curvature. The geometric similarity between talar dome and ideal shapes, namely SPH, CLD and BTC, is quantified. 50 unilateral CT datasets from 50 subjects with no pathological morphometry of tali were included in the experiments and statistical analyses were carried out based on the approximation error. The similarity between talar dome and BTC was more prominent, with smaller mean, standard deviation, maximum and median of the approximation error (0.36±0.07mm, 0.32±0.06mm, 2.24±0.47mm and 0.28±0.06mm) compare with fitting to SPH and CLD. In addition, there were significant differences between the fitting error of each pair of models in terms of the 4 measurements (p-values<0.05). The linear regression analyses demonstrated high correlation between CLD and BTC approximations (R 2 =0.55 for median, R 2 >0.7 for others). Color maps representing fitting error indicated that fitting error mainly occurred on the marginal regions of talar dome for SPH and CLD fittings, while that of BTC was small for the whole talar dome. The successful restoration of ankle functions in displacement surgery highly depends on the comprehensive understanding of the talus. The talar dome surface could be well-defined in a computational way and compared to SPH and CLD, the talar dome reflects outstanding similarity with BTC. Copyright © 2016 Elsevier Ltd. All rights reserved.

Diagnosis of a Poorly Performing Liquid Hydrogen Bulk Storage Sphere

NASA Technical Reports Server (NTRS)

Krenn, Angela G.

2011-01-01

There are two 850,000 gallon Liquid Hydrogen (LH2) storage spheres used to support the Space Shuttle Program; one residing at Launch Pad A and the other at Launch Pad B. The LH2 Sphere at Pad B has had a high boiloff rate since being brought into service in the 1960's. The daily commodity loss was estimated to be approximately double that of the Pad A sphere, and well above the minimum required by the sphere's specification. Additionally, after being re-painted in the late 1990's a "cold spot" appeared on the outer sphere which resulted in a poor paint bond, and mold formation. Thermography was used to characterize the area, and the boiloff rate was continually evaluated. All evidence suggested that the high boiloff rate was caused by an excessive heat leak into the inner sphere due to an insulation void in the annulus. Pad B was recently taken out of Space Shuttle program service which provided a unique opportunity to diagnose the sphere's poor performance. The sphere was drained and inerted, and then opened from the annular relief device on the top where a series of boroscoping operations were accomplished. Boroscoping revealed a large Perlite insulation void in the region of the sphere where the cold spot was apparent. Perlite was then trucked in and off-loaded into the annular void region until the annulus was full. The sphere has not yet been brought back into service.

"Tools For Analysis and Visualization of Large Time- Varying CFD Data Sets"

NASA Technical Reports Server (NTRS)

Wilhelms, Jane; vanGelder, Allen

1999-01-01

During the four years of this grant (including the one year extension), we have explored many aspects of the visualization of large CFD (Computational Fluid Dynamics) datasets. These have included new direct volume rendering approaches, hierarchical methods, volume decimation, error metrics, parallelization, hardware texture mapping, and methods for analyzing and comparing images. First, we implemented an extremely general direct volume rendering approach that can be used to render rectilinear, curvilinear, or tetrahedral grids, including overlapping multiple zone grids, and time-varying grids. Next, we developed techniques for associating the sample data with a k-d tree, a simple hierarchial data model to approximate samples in the regions covered by each node of the tree, and an error metric for the accuracy of the model. We also explored a new method for determining the accuracy of approximate models based on the light field method described at ACM SIGGRAPH (Association for Computing Machinery Special Interest Group on Computer Graphics) '96. In our initial implementation, we automatically image the volume from 32 approximately evenly distributed positions on the surface of an enclosing tessellated sphere. We then calculate differences between these images under different conditions of volume approximation or decimation.

Fabrication and evaluation of interconnected porous carbonate apatite from alpha tricalcium phosphate spheres.

PubMed

Ishikawa, Kunio; Arifta, Tya Indah; Hayashi, Koichiro; Tsuru, Kanji

2018-03-26

Carbonate apatite (CO 3 Ap) blocks have attracted considerable attention as an artificial bone substitute material because CO 3 Ap is a component of and shares properties with bone, including high osteoconductivity and replacement by bone similar to autografts. In this study, we fabricated an interconnected porous CO 3 Ap block using α-tricalcium phosphate (TCP) spheres and evaluated the tissue response to this material in a rabbit tibial bone defect model. Interconnected porous α-TCP, the precursor of interconnected porous CO 3 Ap, could not be fabricated directly by sintering α-TCP spheres. It was therefore made via a setting reaction with α-TCP spheres, yielding interconnected porous calcium-deficient hydroxyapatite that was subjected to heat treatment. Immersing the interconnected porous α-TCP in Na-CO 3 -PO 4 solution produced CO 3 Ap, which retained the interconnected porous structure after the dissolution-precipitation reaction. The diametral tensile strength and porosity of the porous CO 3 Ap were 1.8 ± 0.4 MPa and 55% ± 3.2%, respectively. Both porous and dense (control) CO 3 Ap showed excellent tissue response and good osteoconductivity. At 4 weeks after surgery, approximately 15% ± 4.9% of the tibial bone defect was filled with new bone when reconstruction was performed using porous CO 3 Ap; this amount was five times greater than that obtained with dense CO 3 Ap. At 12 weeks after surgery, for porous CO 3 Ap, approximately 47% of the defect was filled with new bone as compared to 16% for dense CO 3 Ap. Thus, the interconnected porous CO 3 Ap block is a promising artificial bone substitute material for the treatment of bone defects caused by large fractures or bone tumor resection. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 2018. © 2018 Wiley Periodicals, Inc.

Elastic anisotropy of layered rocks: Ultrasonic measurements of plagioclase-biotite-muscovite (sillimanite) gneiss versus texture-based theoretical predictions (effective media modeling)

NASA Astrophysics Data System (ADS)

Ivankina, T. I.; Zel, I. Yu.; Lokajicek, T.; Kern, H.; Lobanov, K. V.; Zharikov, A. V.

2017-08-01

In this paper we present experimental and theoretical studies on a highly anisotropic layered rock sample characterized by alternating layers of biotite and muscovite (retrogressed from sillimanite) and plagioclase and quartz, respectively. We applied two different experimental methods to determine seismic anisotropy at pressures up to 400 MPa: (1) measurement of P- and S-wave phase velocities on a cube in three foliation-related orthogonal directions and (2) measurement of P-wave group velocities on a sphere in 132 directions The combination of the spatial distribution of P-wave velocities on the sphere (converted to phase velocities) with S-wave velocities of three orthogonal structural directions on the cube made it possible to calculate the bulk elastic moduli of the anisotropic rock sample. On the basis of the crystallographic preferred orientations (CPOs) of major minerals obtained by time-of-flight neutron diffraction, effective media modeling was performed using different inclusion methods and averaging procedures. The implementation of a nonlinear approximation of the P-wave velocity-pressure relation was applied to estimate the mineral matrix properties and the orientation distribution of microcracks. Comparison of theoretical calculations of elastic properties of the mineral matrix with those derived from the nonlinear approximation showed discrepancies in elastic moduli and P-wave velocities of about 10%. The observed discrepancies between the effective media modeling and ultrasonic velocity data are a consequence of the inhomogeneous structure of the sample and inability to perform long-wave approximation. Furthermore, small differences between elastic moduli predicted by the different theoretical models, including specific fabric characteristics such as crystallographic texture, grain shape and layering were observed. It is shown that the bulk elastic anisotropy of the sample is basically controlled by the CPO of biotite and muscovite and their volume proportions in the layers dominated by phyllosilicate minerals.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Radiom, Milad, E-mail: milad.radiom@unige.ch; Ducker, William, E-mail: wducker@vt.edu; Robbins, Brian

The hydrodynamic interaction of two closely spaced micron-scale spheres undergoing Brownian motion was measured as a function of their separation. Each sphere was attached to the distal end of a different atomic force microscopy cantilever, placing each sphere in a stiff one-dimensional potential (0.08 Nm{sup −1}) with a high frequency of thermal oscillations (resonance at 4 kHz). As a result, the sphere’s inertial and restoring forces were significant when compared to the force due to viscous drag. We explored interparticle gap regions where there was overlap between the two Stokes layers surrounding each sphere. Our experimental measurements are the firstmore » of their kind in this parameter regime. The high frequency of oscillation of the spheres means that an analysis of the fluid dynamics would include the effects of fluid inertia, as described by the unsteady Stokes equation. However, we find that, for interparticle separations less than twice the thickness of the wake of the unsteady viscous boundary layer (the Stokes layer), the hydrodynamic interaction between the Brownian particles is well-approximated by analytical expressions that neglect the inertia of the fluid. This is because elevated frictional forces at narrow gaps dominate fluid inertial effects. The significance is that interparticle collisions and concentrated suspensions at this condition can be modeled without the need to incorporate fluid inertia. We suggest a way to predict when fluid inertial effects can be ignored by including the gap-width dependence into the frequency number. We also show that low frequency number analysis can be used to determine the microrheology of mixtures at interfaces.« less

Critical Dimensions of Water-tamped Slabs and Spheres of Active Material

DOE R&D Accomplishments Database

Greuling, E.; Argo, H.: Chew, G.; Frankel, M. E.; Konopinski, E.J.; Marvin, C.; Teller, E.

1946-08-06

The magnitude and distribution of the fission rate per unit area produced by three energy groups of moderated neutrons reflected from a water tamper into one side of an infinite slab of active material is calculated approximately in section II. This rate is directly proportional to the current density of fast neutrons from the active material incident on the water tamper. The critical slab thickness is obtained in section III by solving an inhomogeneous transport integral equation for the fast-neutron current density into the tamper. Extensive use is made of the formulae derived in "The Mathematical Development of the End-Point Method" by Frankel and Goldberg. In section IV slight alterations in the theory outlined in sections II and III were made so that one could approximately compute the critical radius of a water-tamper sphere of active material. The derived formulae were applied to calculate the critical dimensions of water-tamped slabs and spheres of solid UF{sub 6} leaving various (25) isotope enrichment fractions. Decl. Dec. 16, 1955.

Geometrical optics model of Mie resonances

PubMed

Roll; Schweiger

2000-07-01

The geometrical optics model of Mie resonances is presented. The ray path geometry is given and the resonance condition is discussed with special emphasis on the phase shift that the rays undergo at the surface of the dielectric sphere. On the basis of this model, approximate expressions for the positions of first-order resonances are given. Formulas for the cavity mode spacing are rederived in a simple manner. It is shown that the resonance linewidth can be calculated regarding the cavity losses. Formulas for the mode density of Mie resonances are given that account for the different width of resonances and thus may be adapted to specific experimental situations.

Effect of the initial domain on the dispersion dynamics of a diffusing substance

NASA Astrophysics Data System (ADS)

Bestuzheva, A. N.; Smirnov, A. L.

2018-05-01

The formulation and analysis of ecological problems involves the mathematical modeling, when some assumptions concerning the nature of the processes are introduced. These assumptions must be justified. In the present paper the effect of the form of the initial domain occupied with a diffusing substance on the process of diffusion is studied. It's shown that the form of the initial domain plays unimportant role and it may be modeled as semi-sphere, for which the problem has analytical solution. That solution may serves as the zeroth approximation in modeling of actual ecological problem taking into account the relief of the bottom and the bottom currents.

Electric Double-Layer Structure in Primitive Model Electrolytes. Comparing Molecular Dynamics with Local-Density Approximations

DOE PAGES

Giera, Brian; Lawrence Livermore National Lab.; Henson, Neil; ...

2015-02-27

We evaluate the accuracy of local-density approximations (LDAs) using explicit molecular dynamics simulations of binary electrolytes comprised of equisized ions in an implicit solvent. The Bikerman LDA, which considers ions to occupy a lattice, poorly captures excluded volume interactions between primitive model ions. Instead, LDAs based on the Carnahan–Starling (CS) hard-sphere equation of state capture simulated values of ideal and excess chemical potential profiles extremely well, as is the relationship between surface charge density and electrostatic potential. Excellent agreement between the EDL capacitances predicted by CS-LDAs and computed in molecular simulations is found even in systems where ion correlations drivemore » strong density and free charge oscillations within the EDL, despite the inability of LDAs to capture the oscillations in the detailed EDL profiles.« less

Silica nano-particle super-hydrophobic surfaces: the effects of surface morphology and trapped air pockets on hydrodynamic drainage forces.

PubMed

Chan, Derek Y C; Uddin, Md Hemayet; Cho, Kwun L; Liaw, Irving I; Lamb, Robert N; Stevens, Geoffrey W; Grieser, Franz; Dagastine, Raymond R

2009-01-01

We used atomic force microscopy to study dynamic forces between a rigid silica sphere (radius approximately 45 microm) and a silica nano-particle super-hydrophobic surface (SNP-SHS) in aqueous electrolyte, in the presence and absence of surfactant. Characterization of the SNP-SHS surface in air showed a surface roughness of up to two microns. When in contact with an aqueous phase, the SNP-SHS traps large, soft and stable air pockets in the surface interstices. The inherent roughness of the SNP-SHS together with the trapped air pockets are responsible for the superior hydrophobic properties of SNP-SHS such as high equilibrium contact angle (> 140 degrees) of water sessile drops on these surfaces and low hydrodynamic friction as observed in force measurements. We also observed that added surfactants adsorbed at the surface of air pockets magnified hydrodynamic interactions involving the SNP-SHS. The dynamic forces between the same silica sphere and a laterally smooth mica surface showed that the fitted Navier slip lengths using the Reynolds lubrication model were an order of magnitude larger than the length scale of the sphere surface roughness. The surface roughness and the lateral heterogeneity of the SNP-SHS hindered attempts to characterize the dynamic response using the Reynolds lubrication model even when augmented with a Navier slip boundary.

Stability of barotropic vortex strip on a rotating sphere

PubMed Central

Sohn, Sung-Ik; Kim, Sun-Chul

2018-01-01

We study the stability of a barotropic vortex strip on a rotating sphere, as a simple model of jet streams. The flow is approximated by a piecewise-continuous vorticity distribution by zonal bands of uniform vorticity. The linear stability analysis shows that the vortex strip becomes stable as the strip widens or the rotation speed increases. When the vorticity constants in the upper and the lower regions of the vortex strip have the same positive value, the inner flow region of the vortex strip becomes the most unstable. However, when the upper and the lower vorticity constants in the polar regions have different signs, a complex pattern of instability is found, depending on the wavenumber of perturbations, and interestingly, a boundary far away from the vortex strip can be unstable. We also compute the nonlinear evolution of the vortex strip on the rotating sphere and compare with the linear stability analysis. When the width of the vortex strip is small, we observe a good agreement in the growth rate of perturbation at an early time, and the eigenvector corresponding to the unstable eigenvalue coincides with the most unstable part of the flow. We demonstrate that a large structure of rolling-up vortex cores appears in the vortex strip after a long-time evolution. Furthermore, the geophysical relevance of the model to jet streams of Jupiter, Saturn and Earth is examined. PMID:29507524

Stability of barotropic vortex strip on a rotating sphere.

PubMed

Sohn, Sung-Ik; Sakajo, Takashi; Kim, Sun-Chul

2018-02-01

We study the stability of a barotropic vortex strip on a rotating sphere, as a simple model of jet streams. The flow is approximated by a piecewise-continuous vorticity distribution by zonal bands of uniform vorticity. The linear stability analysis shows that the vortex strip becomes stable as the strip widens or the rotation speed increases. When the vorticity constants in the upper and the lower regions of the vortex strip have the same positive value, the inner flow region of the vortex strip becomes the most unstable. However, when the upper and the lower vorticity constants in the polar regions have different signs, a complex pattern of instability is found, depending on the wavenumber of perturbations, and interestingly, a boundary far away from the vortex strip can be unstable. We also compute the nonlinear evolution of the vortex strip on the rotating sphere and compare with the linear stability analysis. When the width of the vortex strip is small, we observe a good agreement in the growth rate of perturbation at an early time, and the eigenvector corresponding to the unstable eigenvalue coincides with the most unstable part of the flow. We demonstrate that a large structure of rolling-up vortex cores appears in the vortex strip after a long-time evolution. Furthermore, the geophysical relevance of the model to jet streams of Jupiter, Saturn and Earth is examined.

Dust-wall and dust-plasma interaction in the MIGRAINe code

NASA Astrophysics Data System (ADS)

Vignitchouk, L.; Tolias, P.; Ratynskaia, S.

2014-09-01

The physical models implemented in the recently developed dust dynamics code MIGRAINe are described. A major update of the treatment of secondary electron emission, stemming from models adapted to typical scrape-off layer temperatures, is reported. Sputtering and plasma species backscattering are introduced from fits of available experimental data and their relative importance to dust charging and heating is assessed in fusion-relevant scenarios. Moreover, the description of collisions between dust particles and plasma-facing components, based on the approximation of elastic-perfectly plastic adhesive spheres, has been upgraded to take into account the effects of particle size and temperature.

Corrected Mean-Field Model for Random Sequential Adsorption on Random Geometric Graphs

NASA Astrophysics Data System (ADS)

Dhara, Souvik; van Leeuwaarden, Johan S. H.; Mukherjee, Debankur

2018-03-01

A notorious problem in mathematics and physics is to create a solvable model for random sequential adsorption of non-overlapping congruent spheres in the d-dimensional Euclidean space with d≥ 2 . Spheres arrive sequentially at uniformly chosen locations in space and are accepted only when there is no overlap with previously deposited spheres. Due to spatial correlations, characterizing the fraction of accepted spheres remains largely intractable. We study this fraction by taking a novel approach that compares random sequential adsorption in Euclidean space to the nearest-neighbor blocking on a sequence of clustered random graphs. This random network model can be thought of as a corrected mean-field model for the interaction graph between the attempted spheres. Using functional limit theorems, we characterize the fraction of accepted spheres and its fluctuations.

Effects of horizontal acceleration on the superconducting gravimeter CT #036 at Ishigakijima, Japan

NASA Astrophysics Data System (ADS)

Imanishi, Yuichi; Nawa, Kazunari; Tamura, Yoshiaki; Ikeda, Hiroshi

2018-01-01

In the gravity sensor of a superconducting gravimeter, a superconducting sphere as a test mass is levitated in a magnetic field. Such a sensor is susceptible to applied horizontal as well as vertical acceleration, because the translational degrees of freedom of the mass are not perfectly limited to the vertical direction. In the case of the superconducting gravimeter CT #036 installed at Ishigakijima, Japan, horizontal ground acceleration excited by the movements of a nearby VLBI antenna induces systematic step noise within the gravity recordings. We investigate this effect in terms of the static and dynamic properties of the gravity sensor using data from a collocated seismometer. It is shown that this effect can be effectively modeled by the coupling between the horizontal and vertical components in the gravity sensor. It is also found that the mechanical eigenfrequency for horizontal translation of the levitating sphere is approximately 3 Hz.[Figure not available: see fulltext.

Narrowly peaked forward light scattering on particulate media: II. Angular spreading of light scattered by polystyrene microspheres

NASA Astrophysics Data System (ADS)

Turcu, Ioan; Bratfalean, Radu; Neamtu, Silvia

2008-07-01

The adequacy of the effective phase function (EPF) used to describe the light scattered at small angles was tested on aqueous suspensions of polystyrene microspheres. Angular resolved light scattering measurements were performed on two types of latex suspension, which contained polystyrene spheres of 3 µm and 5 µm diameters, respectively. The experimental data were fitted with two EPF approximants. If the polystyrene spheres are at least 3 µm in diameter the quasi-ballistic light scattering process can be described relatively well by the EPF in a small angular range centered in the forward direction. The forward light scattering by macroscopic samples containing microspheres can be modeled relatively well if the true Mie single particle scattering phase function is replaced by a simpler Henyey-Greenstein dependence having the same width at half-height as the first scattering lobe.

An Analytical Study of Icing Similitude for Aircraft Engine Testing. Revision

DTIC Science & Technology

1987-02-01

MODELING GEOMETRIES Component Cowl Spinner Fan Blade Fan Stator Exit Vane Probe Approximating Geometry NACA 0012 Airfoil Sphere NACA 0012...DOT/FAA/CT·86/35 AEDC·TR·86·26 An Analytical Study of Icing Similitude for Aircraft Engine Testing c. Scott Bartlett Sverdrup Technology, Inc...8217~,feCa.ORI A n AnalYtical Study )f Icin~ Similitude for Aircraft Engine Tes t tu~ 12. PERSONAL AUTHOR/S) B a r t l e t t , C. Scot t , Sverdrup

Strain distribution and failure mode of polymer separators for Li-ion batteries under biaxial loading

NASA Astrophysics Data System (ADS)

Kalnaus, Sergiy; Kumar, Abhishek; Wang, Yanli; Li, Jianlin; Simunovic, Srdjan; Turner, John A.; Gorney, Phillip

2018-02-01

Deformation of polymer separators for Li-ion batteries has been studied under biaxial tension by using a dome test setup. This deformation mode provides characterization of separator strength under more complex loading conditions, closer representing deformation of an electric vehicle battery during crash event, compared to uniaxial tension or compression. Two polymer separators, Celgard 2325 and Celgard 2075 were investigated by deformation with spheres of three different diameters. Strains in separators were measured in situ by using Digital Image Correlation (DIC) technique. The results show consistent rupture of separators along the machine direction coinciding with areas of high strain accumulation. The critical first principal strain for failure was independent of the sphere diameter and was determined to be approximately 34% and 43% for Celgard 2325 and Celgard 2075 respectively. These values can be taken as a criterion for internal short circuit in a battery following an out-of-plane impact. A Finite Element (FE) model was built with the anisotropic description of separator behavior, derived from tensile tests in orthogonal directions. The results of simulations predicted the response of separator rather well when compared to experimental results for various sizes of rigid sphere.

Strain distribution and failure mode of polymer separators for Li-ion batteries under biaxial loading

DOE PAGES

Kalnaus, Sergiy; Kumar, Abhishek; Wang, Yanli; ...

2017-12-16

Deformation of polymer separators for Li-ion batteries has been studied under biaxial tension by using a dome test setup. This deformation mode provides characterization of separator strength under more complex loading conditions, closer representing deformation of an electric vehicle battery during crash event, compared to uniaxial tension or compression. Two polymer separators, Celgard 2325 and Celgard 2075 were investigated by deformation with spheres of three different diameters. Strains in separators were measured in situ by using Digital Image Correlation (DIC) technique. The results show consistent rupture of separators along the machine direction coinciding with areas of high strain accumulation. Themore » critical first principal strain for failure was independent of the sphere diameter and was determined to be approximately 34% and 43% for Celgard 2325 and Celgard 2075 respectively. These values can be taken as a criterion for internal short circuit in a battery following an out-of-plane impact. A Finite Element (FE) model was built with the anisotropic description of separator behavior, derived from tensile tests in orthogonal directions. In conclusion, the results of simulations predicted the response of separator rather well when compared to experimental results for various sizes of rigid sphere.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kalnaus, Sergiy; Kumar, Abhishek; Wang, Yanli

Deformation of polymer separators for Li-ion batteries has been studied under biaxial tension by using a dome test setup. This deformation mode provides characterization of separator strength under more complex loading conditions, closer representing deformation of an electric vehicle battery during crash event, compared to uniaxial tension or compression. Two polymer separators, Celgard 2325 and Celgard 2075 were investigated by deformation with spheres of three different diameters. Strains in separators were measured in situ by using Digital Image Correlation (DIC) technique. The results show consistent rupture of separators along the machine direction coinciding with areas of high strain accumulation. Themore » critical first principal strain for failure was independent of the sphere diameter and was determined to be approximately 34% and 43% for Celgard 2325 and Celgard 2075 respectively. These values can be taken as a criterion for internal short circuit in a battery following an out-of-plane impact. A Finite Element (FE) model was built with the anisotropic description of separator behavior, derived from tensile tests in orthogonal directions. In conclusion, the results of simulations predicted the response of separator rather well when compared to experimental results for various sizes of rigid sphere.« less

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

PubMed

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

2015-11-15

Previous adhesion maps, such as the JG (Johnson-Greenwood) and YCG (Yao-Ciavarella-Gao) maps, are used to guide the selection of Bradley, DMT, M-D, JKR and Hertz models. However, when the size of the contact sphere decreases to the small scale, the applicability of JG and YCG maps is limited because the assumptions regarding the contact region profile, interaction between contact bodies and sphere shape in the classical models constituting these two maps are no longer valid. To avoid this limitation, in this paper, a new numerical model considering size effects of the sphere is established first and then introduced into the new adhesion maps together with the YGG (Yao-Guduru-Gao) model and Hertz model. Regimes of these models in the new map under a certain sphere radius are demarcated by the criteria related to the relative force differences and the ratio of contact radius to sphere radius. In addition, the approaches at pull-off, jump-in and jump-out for different Tabor parameters and sphere radii are provided in the new maps. Finally, to make the new maps more feasible, the numerical results of approaches, force and contact radius involved in the maps are formularized by using the piecewise fitting. Copyright © 2015 Elsevier Inc. All rights reserved.

Structure of ternary additive hard-sphere fluid mixtures.

PubMed

Malijevský, Alexander; Malijevský, Anatol; Yuste, Santos B; Santos, Andrés; López de Haro, Mariano

2002-12-01

Monte Carlo simulations on the structural properties of ternary fluid mixtures of additive hard spheres are reported. The results are compared with those obtained from a recent analytical approximation [S. B. Yuste, A. Santos, and M. López de Haro, J. Chem. Phys. 108, 3683 (1998)] to the radial distribution functions of hard-sphere mixtures and with the results derived from the solution of the Ornstein-Zernike integral equation with both the Martynov-Sarkisov and the Percus-Yevick closures. Very good agreement between the results of the first two approaches and simulation is observed, with a noticeable improvement over the Percus-Yevick predictions especially near contact.

Approximating a free-field blast environment in the test section of an explosively driven conical shock tube

NASA Astrophysics Data System (ADS)

Stewart, J. B.

2018-02-01

This paper presents experimental data on incident overpressures and the corresponding impulses obtained in the test section of an explosively driven 10° (full angle) conical shock tube. Due to the shock tube's steel walls approximating the boundary conditions seen by a spherical sector cut out of a detonating sphere of energetic material, a 5.3-g pentolite shock tube driver charge produces peak overpressures corresponding to a free-field detonation from an 816-g sphere of pentolite. The four test section geometries investigated in this paper (open air, cylindrical, 10° inscribed square frustum, and 10° circumscribed square frustum) provide a variety of different time histories for the incident overpressures and impulses, with a circumscribed square frustum yielding the best approximation of the estimated blast environment that would have been produced by a free-field detonation.

Pairwise-interaction extended point-particle model for particle-laden flows

NASA Astrophysics Data System (ADS)

Akiki, G.; Moore, W. C.; Balachandar, S.

2017-12-01

In this work we consider the pairwise interaction extended point-particle (PIEP) model for Euler-Lagrange simulations of particle-laden flows. By accounting for the precise location of neighbors the PIEP model goes beyond local particle volume fraction, and distinguishes the influence of upstream, downstream and laterally located neighbors. The two main ingredients of the PIEP model are (i) the undisturbed flow at any particle is evaluated as a superposition of the macroscale flow and a microscale flow that is approximated as a pairwise superposition of perturbation fields induced by each of the neighboring particles, and (ii) the forces and torque on the particle are then calculated from the undisturbed flow using the Faxén form of the force relation. The computational efficiency of the standard Euler-Lagrange approach is retained, since the microscale perturbation fields induced by a neighbor are pre-computed and stored as PIEP maps. Here we extend the PIEP force model of Akiki et al. [3] with a corresponding torque model to systematically include the effect of perturbation fields induced by the neighbors in evaluating the net torque. Also, we use DNS results from a uniform flow over two stationary spheres to further improve the PIEP force and torque models. We then test the PIEP model in three different sedimentation problems and compare the results against corresponding DNS to assess the accuracy of the PIEP model and improvement over the standard point-particle approach. In the case of two sedimenting spheres in a quiescent ambient the PIEP model is shown to capture the drafting-kissing-tumbling process. In cases of 5 and 80 sedimenting spheres a good agreement is obtained between the PIEP simulation and the DNS. For all three simulations, the DEM-PIEP was able to recreate, to a good extent, the results from the DNS, while requiring only a negligible fraction of the numerical resources required by the fully-resolved DNS.

Numerical simulation of elasto-plastic deformation of composites: evolution of stress microfields and implications for homogenization models

NASA Astrophysics Data System (ADS)

González, C.; Segurado, J.; LLorca, J.

2004-07-01

The deformation of a composite made up of a random and homogeneous dispersion of elastic spheres in an elasto-plastic matrix was simulated by the finite element analysis of three-dimensional multiparticle cubic cells with periodic boundary conditions. "Exact" results (to a few percent) in tension and shear were determined by averaging 12 stress-strain curves obtained from cells containing 30 spheres, and they were compared with the predictions of secant homogenization models. In addition, the numerical simulations supplied detailed information of the stress microfields, which was used to ascertain the accuracy and the limitations of the homogenization models to include the nonlinear deformation of the matrix. It was found that secant approximations based on the volume-averaged second-order moment of the matrix stress tensor, combined with a highly accurate linear homogenization model, provided excellent predictions of the composite response when the matrix strain hardening rate was high. This was not the case, however, in composites which exhibited marked plastic strain localization in the matrix. The analysis of the evolution of the matrix stresses revealed that better predictions of the composite behavior can be obtained with new homogenization models which capture the essential differences in the stress carried by the elastic and plastic regions in the matrix at the onset of plastic deformation.

Low Luminosity States of the Black Hole Candidate GX 339-4. 1; ASCA and Simultaneous Radio/RXTE Observations

NASA Technical Reports Server (NTRS)

Wilms, Joern; Nowak, Michael A.; Dove, James B.; Fender, Robert P.; DiMatteo, Tiziana

1998-01-01

We discuss a series of observations of the black hole candidate GX 339-4 in low luminosity, spectrally hard states. We present spectral analysis of three separate archival Advanced Satellite for Cosmology and Astrophysics (ASCA) data sets and eight separate Rossi X-ray Timing Explorer (RXTE) data sets. Three of the RXTE observations were strictly simultaneous with 843 Mega Hertz and 8.3-9.1 Giga Hertz radio observations. All of these observations have (3-9 keV) flux approximately less than 10(exp-9) ergs s(exp-1) CM(exp -2). The ASCA data show evidence for an approximately 6.4 keV Fe line with equivalent width approximately 40 eV, as well as evidence for a soft excess that is well-modeled by a power law plus a multicolor blackbody spectrum with peak temperature approximately equals 150-200 eV. The RXTE data sets also show evidence of an Fe line with equivalent widths approximately equal to 20-1OO eV. Reflection models show a hardening of the RXTE spectra with decreasing X-ray flux; however, these models do not exhibit evidence of a correlation between the photon index of the incident power law flux and the solid angle subtended by the reflector. 'Sphere+disk' Comptonization models and Advection Dominated Accretion Flow (ADAF) models also provide reasonable descriptions of the RXTE data. The former models yield coronal temperatures in the range 20-50 keV and optical depths of r approximately equal to 3. The model fits to the X-ray data, however, do not simultaneously explain the observed radio properties. The most likely source of the radio flux is synchrotron emission from an extended outflow of extent greater than O(10 (exp7) GM/c2).

Discovery of a Frank-Kasper [sigma] Phase in Sphere-Forming Block Copolymer Melts

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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

Local order and crystallization of dense polydisperse hard spheres

NASA Astrophysics Data System (ADS)

Coslovich, Daniele; Ozawa, Misaki; Berthier, Ludovic

2018-04-01

Computer simulations give precious insight into the microscopic behavior of supercooled liquids and glasses, but their typical time scales are orders of magnitude shorter than the experimentally relevant ones. We recently closed this gap for a class of models of size polydisperse fluids, which we successfully equilibrate beyond laboratory time scales by means of the swap Monte Carlo algorithm. In this contribution, we study the interplay between compositional and geometric local orders in a model of polydisperse hard spheres equilibrated with this algorithm. Local compositional order has a weak state dependence, while local geometric order associated to icosahedral arrangements grows more markedly but only at very high density. We quantify the correlation lengths and the degree of sphericity associated to icosahedral structures and compare these results to those for the Wahnström Lennard-Jones mixture. Finally, we analyze the structure of very dense samples that partially crystallized following a pattern incompatible with conventional fractionation scenarios. The crystal structure has the symmetry of aluminum diboride and involves a subset of small and large particles with size ratio approximately equal to 0.5.

Tidal disruption of open clusters in their parent molecular clouds

NASA Technical Reports Server (NTRS)

Long, Kevin

1989-01-01

A simple model of tidal encounters has been applied to the problem of an open cluster in a clumpy molecular cloud. The parameters of the clumps are taken from the Blitz, Stark, and Long (1988) catalog of clumps in the Rosette molecular cloud. Encounters are modeled as impulsive, rectilinear collisions between Plummer spheres, but the tidal approximation is not invoked. Mass and binding energy changes during an encounter are computed by considering the velocity impulses given to individual stars in a random realization of a Plummer sphere. Mean rates of mass and binding energy loss are then computed by integrating over many encounters. Self-similar evolutionary calculations using these rates indicate that the disruption process is most sensitive to the cluster radius and relatively insensitive to cluster mass. The calculations indicate that clusters which are born in a cloud similar to the Rosette with a cluster radius greater than about 2.5 pc will not survive long enough to leave the cloud. The majority of clusters, however, have smaller radii and will survive the passage through their parent cloud.

Expansion moments for the local field distribution that involve the three-particle distribution function

NASA Astrophysics Data System (ADS)

Attard, Phil

The second moment of the Lennard-Jones local field distribution in a hard-sphere fluid is evaluated using the PY3 three-particle distribution function. An approximation due to Lado that avoids the explicit calculation of the latter is shown to be accurate. Partial results are also given for certain cavity-hard-sphere radial distribution functions that occur in a closest particle expansion for the local field.

Dielectric constant adjustments in computations of the scattering properties of solid ice crystals using the Generalized Multi-particle Mie method

NASA Astrophysics Data System (ADS)

Lu, Yinghui; Aydin, Kültegin; Clothiaux, Eugene E.; Verlinde, Johannes

2014-03-01

Ice crystal scattering properties at microwave radar wavelengths can be modeled with the Generalized Multi-particle Mie (GMM) method by decomposing an ice crystal into a cluster of tiny spheres composed of solid ice. In this decomposition the mass distribution of the tiny spheres in the cluster is no longer equivalent to that in the original ice crystal because of gaps between the tiny spheres. To compensate for the gaps in the cluster representation of an ice crystal in the GMM computation of crystal scattering properties, the Maxwell Garnett approximation is used to estimate what the dielectric function of the tiny spheres (i.e., the inclusions) in the cluster must be to make the cluster of tiny spheres with associated air gaps (i.e., the background matrix) dielectrically equivalent to the original solid ice crystal. Overall, compared with the T-matrix method for spheroids outside resonance regions this approach agrees to within mostly 0.3 dB (and often better) in the horizontal backscattering cross section σhh and the ratio of horizontal and vertical backscattering cross sections σhh/σvv, and 6% for the amplitude scattering matrix elements Re{S22-S11} and Im{S22} in the forward direction. For crystal sizes and wavelengths near resonances, where the scattering parameters are highly sensitive to the crystal shape, the differences are generally within 1.2 dB for σhh and σhh/σvv, 20% for Re{S22-S11} and 6% for Im{S22}. The Discrete Dipole Approximation (DDA) results for the same spheroids are generally closer than those of GMM to the T-matrix results. For hexagonal plates the differences between GMM and the DDA at a W-band wavelength (3.19 mm) are mostly within 0.6 dB for σhh, 1 dB for σhh/σvv, 11% for Re{S22-S11} and 12% for Im{S22}. For columns the differences are within 0.3 dB for σhh and σhh/σvv, 8% for Re{S22-S11} and 4% for Im{S22}. This method shows higher accuracy than an alternative method that artificially increases the thickness of ice plates to provide the same mass as the original ice crystal.

A Framework for Testing Scientific Software: A Case Study of Testing Amsterdam Discrete Dipole Approximation Software

NASA Astrophysics Data System (ADS)

Shao, Hongbing

Software testing with scientific software systems often suffers from test oracle problem, i.e., lack of test oracles. Amsterdam discrete dipole approximation code (ADDA) is a scientific software system that can be used to simulate light scattering of scatterers of various types. Testing of ADDA suffers from "test oracle problem". In this thesis work, I established a testing framework to test scientific software systems and evaluated this framework using ADDA as a case study. To test ADDA, I first used CMMIE code as the pseudo oracle to test ADDA in simulating light scattering of a homogeneous sphere scatterer. Comparable results were obtained between ADDA and CMMIE code. This validated ADDA for use with homogeneous sphere scatterers. Then I used experimental result obtained for light scattering of a homogeneous sphere to validate use of ADDA with sphere scatterers. ADDA produced light scattering simulation comparable to the experimentally measured result. This further validated the use of ADDA for simulating light scattering of sphere scatterers. Then I used metamorphic testing to generate test cases covering scatterers of various geometries, orientations, homogeneity or non-homogeneity. ADDA was tested under each of these test cases and all tests passed. The use of statistical analysis together with metamorphic testing is discussed as a future direction. In short, using ADDA as a case study, I established a testing framework, including use of pseudo oracles, experimental results and the metamorphic testing techniques to test scientific software systems that suffer from test oracle problems. Each of these techniques is necessary and contributes to the testing of the software under test.

Collision cross section measurements for biomolecules within a high-resolution FT-ICR cell: theory.

PubMed

Guo, Dan; Xin, Yi; Li, Dayu; Xu, Wei

2015-04-14

In this study, an energetic hard-sphere ion-neutral collision model was proposed to bridge-link ion collision cross section (CCS) with the image current collected from a high-resolution Fourier transform ion cyclotron resonance (FT-ICR) cell. By investigating the nonlinear effects induced by high-order electric fields and image charge forces, the energetic hard-sphere collision model was validated through experiments. Suitable application regions for the energetic hard-sphere collision model, as well as for the conventional Langevin and hard-sphere collision models, were also discussed. The energetic hard-sphere collision model was applied in the extraction of ion CCSs from high-resolution FT-ICR mass spectra. Discussions in the present study also apply to FT-Orbitraps and FT-quadrupole ion traps.

Effective Forces Between Colloidal Particles

NASA Technical Reports Server (NTRS)

Tehver, Riina; Banavar, Jayanth R.; Koplik, Joel

1999-01-01

Colloidal suspensions have proven to be excellent model systems for the study of condensed matter and its phase behavior. Many of the properties of colloidal suspensions can be investigated with a systematic variation of the characteristics of the systems and, in addition, the energy, length and time scales associated with them allow for experimental probing of otherwise inaccessible regimes. The latter property also makes colloidal systems vulnerable to external influences such as gravity. Experiments performed in micro-ravity by Chaikin and Russell have been invaluable in extracting the true behavior of the systems without an external field. Weitz and Pusey intend to use mixtures of colloidal particles with additives such as polymers to induce aggregation and form weak, tenuous, highly disordered fractal structures that would be stable in the absence of gravitational forces. When dispersed in a polarizable medium, colloidal particles can ionize, emitting counterions into the solution. The standard interaction potential in these charged colloidal suspensions was first obtained by Derjaguin, Landau, Verwey and Overbeek. The DLVO potential is obtained in the mean-field linearized Poisson-Boltzmann approximation and thus has limited applicability. For more precise calculations, we have used ab initio density functional theory. In our model, colloidal particles are charged hard spheres, the counterions are described by a continuum density field and the solvent is treated as a homogeneous medium with a specified dielectric constant. We calculate the effective forces between charged colloidal particles by integrating over the solvent and counterion degrees of freedom, taking into account the direct interactions between the particles as well as particle-counterion, counterion-counterion Coulomb, counterion entropic and correlation contributions. We obtain the effective interaction potential between charged colloidal particles in different configurations. We evaluate two- and three-body forces in the bulk as well as study the influence of soft walls. We qualitatively explain the effects of the walls on the forces and demonstrate that many-body effects are negligible in our system. With adjustments in the parameters, the DLVO pair-potential can describe the results quantitatively. Besides electrostatic interactions, entropic depletion effects that arise from (hard-core) exclusion play an important role in determining the behavior of multi-component colloidal suspensions. A standard theory for depletion forces is due to Asakura and Oosawa and is based on the ideal gas approximation. To go beyond this approximation, we have studied entropic forces in molecular dynamics simulations of systems of hard spheres (the effects of the solvent have been ignored). The effective depletion forces for these systems can be found either from equilibrium distribution functions or from direct momentum transfer calculations. Our results obtained by either method show qualitative differences from the Asakura-Oosawa forces, indicating a longer range, higher value at contact and most importantly a more complicated structure, comprising of several maxima and minima. Our calculations include the determination of effective forces between two spheres, a hard sphere and a wall, and the behavior of a hard sphere near a step-edge and a corner. We also demonstrate that such entropic forces do not necessarily satisfy pairwise additivity.

Transient kinetics of the rapid shape change of unstirred human blood platelets stimulated with ADP.

PubMed Central

Deranleau, D A; Dubler, D; Rothen, C; Lüscher, E F

1982-01-01

Unstirred (isotropic) suspensions of human blood platelets stimulated with ADP in a stopped-flow laser turbidimeter exhibit a distinct extinction maximum during the course of the classical rapid conversion of initially smooth flat discoid cells to smaller-body spiny spheres. This implies the existence of a transient intermediate having a larger average light scattering cross section (extinction coefficient) than either the disc or the spiny sphere. Monophasic extinction increases reaching the same final value were observed when either discoid or spiny sphere platelets were converted to smooth spheres by treatment with chlorpromazine, and sphering of discoid cells was accompanied by a larger total extinction change than the retraction of pseudopods by already spherical cells. These and other results suggest that the ADP-induced transient state represents platelets that are approximately as "spherical" as the irregular spiny sphere but lack the characteristic long pseudopods and as a consequence are larger bodied. Fitting the ADP progress curves to the series reaction A leads to B leads to C by means of the light scattering equivalent of the Beer-Lambert law yielded scattering cross sections that are consistent with this explanation. The rate constants for the two reaction steps were identical, indicating that ADP activation corresponds to a continuous random (Poisson) process with successive apparent states "disc," "sphere," and "spiny sphere," whose individual probabilities are determined by a single rate-limiting step. PMID:6961409

Swimming trajectories of a three-sphere microswimmer near a wall

NASA Astrophysics Data System (ADS)

Daddi-Moussa-Ider, Abdallah; Lisicki, Maciej; Hoell, Christian; Löwen, Hartmut

2018-04-01

The hydrodynamic flow field generated by self-propelled active particles and swimming microorganisms is strongly altered by the presence of nearby boundaries in a viscous flow. Using a simple model three-linked sphere swimmer, we show that the swimming trajectories near a no-slip wall reveal various scenarios of motion depending on the initial orientation and the distance separating the swimmer from the wall. We find that the swimmer can either be trapped by the wall, completely escape, or perform an oscillatory gliding motion at a constant mean height above the wall. Using a far-field approximation, we find that, at leading order, the wall-induced correction has a source-dipolar or quadrupolar flow structure where the translational and angular velocities of the swimmer decay as inverse third and fourth powers with distance from the wall, respectively. The resulting equations of motion for the trajectories and the relevant order parameters fully characterize the transition between the states and allow for an accurate description of the swimming behavior near a wall. We demonstrate that the transition between the trapping and oscillatory gliding states is first order discontinuous, whereas the transition between the trapping and escaping states is continuous, characterized by non-trivial scaling exponents of the order parameters. In order to model the circular motion of flagellated bacteria near solid interfaces, we further assume that the spheres can undergo rotational motion around the swimming axis. We show that the general three-dimensional motion can be mapped onto a quasi-two-dimensional representational model by an appropriate redefinition of the order parameters governing the transition between the swimming states.

Hard sphere perturbation theory for thermodynamics of soft-sphere model liquid

NASA Astrophysics Data System (ADS)

Mon, K. K.

2001-09-01

It is a long-standing consensus in the literature that hard sphere perturbation theory (HSPT) is not accurate for dense soft sphere model liquids, interacting with repulsive r-n pair potentials for small n. In this paper, we show that if the intrinsic error of HSPT for soft sphere model liquids is accounted for, then this is not completely true. We present results for n=4, 6, 9, 12 which indicate that, even first order variational HSPT can provide free energy upper bounds to within a few percent at densities near freezing when corrected for the intrinsic error of the HSPT.

Deformation mechanisms of idealised cermets under multi-axial loading

NASA Astrophysics Data System (ADS)

Bele, E.; Goel, A.; Pickering, E. G.; Borstnar, G.; Katsamenis, O. L.; Pierron, F.; Danas, K.; Deshpande, V. S.

2017-05-01

The response of idealised cermets comprising approximately 60% by volume steel spheres in a Sn/Pb solder matrix is investigated under a range of axisymmetric compressive stress states. Digital volume correlation (DVC) anal`ysis of X-ray micro-computed tomography scans (μ-CT), and the measured macroscopic stress-strain curves of the specimens revealed two deformation mechanisms. At low triaxialities the deformation is granular in nature, with dilation occurring within shear bands. Under higher imposed hydrostatic pressures, the deformation mechanism transitions to a more homogeneous incompressible mode. However, DVC analyses revealed that under all triaxialities there are regions with local dilatory and compaction responses, with the magnitude of dilation and the number of zones wherein dilation occurs decreasing with increasing triaxiality. Two numerical models are presented in order to clarify these mechanisms: (i) a periodic unit cell model comprising nearly rigid spherical particles in a porous metal matrix and (ii) a discrete element model comprising a large random aggregate of spheres connected by non-linear normal and tangential "springs". The periodic unit cell model captured the measured stress-strain response with reasonable accuracy but under-predicted the observed dilation at the lower triaxialities, because the kinematic constraints imposed by the skeleton of rigid particles were not accurately accounted for in this model. By contrast, the discrete element model captured the kinematics and predicted both the overall levels of dilation and the simultaneous presence of both local compaction and dilatory regions with the specimens. However, the levels of dilation in this model are dependent on the assumed contact law between the spheres. Moreover, since the matrix is not explicitly included in the analysis, this model cannot be used to predict the stress-strain responses. These analyses have revealed that the complete constitutive response of cermets depends both on the kinematic constraints imposed by the particle aggregate skeleton, and the constraints imposed by the metal matrix filling the interstitial spaces in that skeleton.

Comparison of fragments created by low- and hyper-velocity impacts

NASA Astrophysics Data System (ADS)

Hanada, T.; Liou, J.-C.

This paper summarizes two new satellite impact experiments. The objective of the experiments was to investigate the outcome of low- and hyper-velocity impacts on two identical target satellites. The first experiment was performed at a low-velocity of 1.5 km/s using a 40-g aluminum alloy sphere. The second experiment was performed at a hyper-velocity of 4.4 km/s using a 4-g aluminum alloy sphere. The target satellites were 15 cm × 15 cm × 15 cm in size and 800 g in mass. The ratios of impact energy to target mass for the two experiments were approximately the same. The target satellites were completely fragmented in both experiments, although there were some differences in the characteristics of the fragments. The projectile of the low-velocity impact experiment was partially fragmented while the projectile of the hyper-velocity impact experiment was completely fragmented beyond recognition. To date, approximately 1500 fragments from each impact experiment have been collected for detailed analysis. Each piece has been weighed, measured, and analyzed based on the analytic method used in the NASA Standard Breakup Model (2000 revision). These fragments account for about 95% of the target mass for both impact experiments. Preliminary analysis results will be presented in this paper.

Algebraic perturbation theory for dense liquids with discrete potentials

NASA Astrophysics Data System (ADS)

Adib, Artur B.

2007-06-01

A simple theory for the leading-order correction g1(r) to the structure of a hard-sphere liquid with discrete (e.g., square-well) potential perturbations is proposed. The theory makes use of a general approximation that effectively eliminates four-particle correlations from g1(r) with good accuracy at high densities. For the particular case of discrete perturbations, the remaining three-particle correlations can be modeled with a simple volume-exclusion argument, resulting in an algebraic and surprisingly accurate expression for g1(r) . The structure of a discrete “core-softened” model for liquids with anomalous thermodynamic properties is reproduced as an application.

Application of semiclassical and geometrical optics theories to resonant modes of a coated sphere.

PubMed

Bambino, Túlio M; Breitschaft, Ana Maria S; Barbosa, Valmar C; Guimarães, Luiz G

2003-03-01

This work deals with some aspects of the resonant scattering of electromagnetic waves by a metallic sphere covered by a dielectric layer, in the weak-absorption approximation. We carry out a geometrical optics treatment of the scattering and develop semiclassical formulas to determine the positions and widths of the system resonances. In addition, we show that the mean lifetime of broad resonances is strongly dependent on the polarization of the incident light.

Extinction efficiencies from DDA calculations solved for finite circular cylinders and disks

NASA Technical Reports Server (NTRS)

Withrow, J. R.; Cox, S. K.

1993-01-01

One of the most commonly noted uncertainties with respect to the modeling of cirrus clouds and their effect upon the planetary radiation balance is the disputed validity of the use of Mie scattering results as an approximation to the scattering results of the hexagonal plates and columns found in cirrus clouds. This approximation has historically been a kind of default, a result of the lack of an appropriate analytical solution of Maxwell's equations to particles other than infinite cylinders and spheroids. Recently, however, the use of such approximate techniques as the Discrete Dipole Approximation has made scattering solutions on such particles a computationally intensive but feasible possibility. In this study, the Discrete Dipole Approximation (DDA) developed by Flatau (1992) is used to find such solutions for homogeneous, circular cylinders and disks. This can serve to not only assess the validity of the current radiative transfer schemes which are available for the study of cirrus but also to extend the current approximation of equivalent spheres to an approximation of second order, homogeneous finite circular cylinders and disks. The results will be presented in the form of a single variable, the extinction efficiency.

Error Modeling of Multibaseline Optical Truss: Part 1: Modeling of System Level Performance

NASA Technical Reports Server (NTRS)

Milman, Mark H.; Korechoff, R. E.; Zhang, L. D.

2004-01-01

Global astrometry is the measurement of stellar positions and motions. These are typically characterized by five parameters, including two position parameters, two proper motion parameters, and parallax. The Space Interferometry Mission (SIM) will derive these parameters for a grid of approximately 1300 stars covering the celestial sphere to an accuracy of approximately 4uas, representing a two orders of magnitude improvement over the most precise current star catalogues. Narrow angle astrometry will be performed to a 1uas accuracy. A wealth of scientific information will be obtained from these accurate measurements encompassing many aspects of both galactic (and extragalactic science. SIM will be subject to a number of instrument errors that can potentially degrade performance. Many of these errors are systematic in that they are relatively static and repeatable with respect to the time frame and direction of the observation. This paper and its companion define the modeling of the, contributing factors to these errors and the analysis of how they impact SIM's ability to perform astrometric science.

Path Loss Prediction Over the Lunar Surface Utilizing a Modified Longley-Rice Irregular Terrain Model

NASA Technical Reports Server (NTRS)

Foore, Larry; Ida, Nathan

2007-01-01

This study introduces the use of a modified Longley-Rice irregular terrain model and digital elevation data representative of an analogue lunar site for the prediction of RF path loss over the lunar surface. The results are validated by theoretical models and past Apollo studies. The model is used to approximate the path loss deviation from theoretical attenuation over a reflecting sphere. Analysis of the simulation results provides statistics on the fade depths for frequencies of interest, and correspondingly a method for determining the maximum range of communications for various coverage confidence intervals. Communication system engineers and mission planners are provided a link margin and path loss policy for communication frequencies of interest.

Efficient swimming of an assembly of rigid spheres at low Reynolds number.

PubMed

Felderhof, B U

2015-08-01

The swimming of an assembly of rigid spheres immersed in a viscous fluid of infinite extent is studied in low-Reynolds-number hydrodynamics. The instantaneous swimming velocity and rate of dissipation are expressed in terms of the time-dependent displacements of sphere centers about their collective motion. For small-amplitude swimming with periodically oscillating displacements, optimization of the mean swimming speed at given mean power leads to an eigenvalue problem involving a velocity matrix and a power matrix. The corresponding optimal stroke permits generalization to large-amplitude motion in a model of spheres with harmonic interactions and corresponding actuating forces. The method allows straightforward calculation of the swimming performance of structures modeled as assemblies of interacting rigid spheres. A model of three collinear spheres with motion along the common axis is studied as an example.

Influence of Coupled Radiation and Ablation on the Aerothermodynamic Environment of Planetary Entry Vehicles

NASA Technical Reports Server (NTRS)

Johnston, Christopher O.; Gnoffo, Peter A.; Mazaheri, Alireza

2013-01-01

A review of recently published coupled radiation and ablation capabilities involving the simulation of hypersonic flowfields relevant to Earth, Mars, or Venus entry is presented. The three fundamental mechanisms of radiation coupling are identified as radiative cooling, precursor photochemistry, and ablation-radiation interaction. The impact of these mechanisms are shown to be significant for a 3 m radius sphere entering Earth at hypothetical Mars return conditions (approximately 15 km/s). To estimate the influence precursor absorption on the radiative flux for a wide range of conditions, a simplified approach is developed that requires only the non-precursor solution. Details of a developed coupled ablation approach, which is capable of treating both massively ablating flowfields in the sublimation regime and weakly ablating diffusion Climited oxidation cases, are presented. A review of the two primary uncoupled ablation approximations, identified as the blowing correction and film coefficient approximations, is made and their impact for Earth and Mars entries is shown to be significant for recession and convective heating predictions. Fully coupled ablation and radiation simulations are presented for the Mars return sphere throughout its entire trajectory. Applying to the Mars return sphere the Pioneer- Venus heritage carbon phenolic heatshield, which has properties available in the open literature, the differences between steady state ablation and coupling to a material response code are shown to be significant.

Luminosity distance in Swiss-cheese cosmology with randomized voids and galaxy halos

NASA Astrophysics Data System (ADS)

Flanagan, Éanna É.; Kumar, Naresh; Wasserman, Ira

2013-08-01

We study the fluctuations in luminosity distance due to gravitational lensing produced both by galaxy halos and large-scale voids. Voids are represented via a “Swiss-cheese” model consisting of a ΛCDM Friedmann-Robertson-Walker background from which a number of randomly distributed, spherical regions of comoving radius 35 Mpc are removed. A fraction of the removed mass is then placed on the shells of the spheres, in the form of randomly located halos. The halos are assumed to be nonevolving and are modeled with Navarro-Frenk-White profiles of a fixed mass. The remaining mass is placed in the interior of the spheres, either smoothly distributed or as randomly located halos. We compute the distribution of magnitude shifts using a variant of the method of Holz and Wald [Phys. Rev. D 58, 063501 (1998)], which includes the effect of lensing shear. In the two models we consider, the standard deviation of this distribution is 0.065 and 0.072 magnitudes and the mean is -0.0010 and -0.0013 magnitudes, for voids of radius 35 Mpc and the sources at redshift 1.5, with the voids chosen so that 90% of the mass is on the shell today. The standard deviation due to voids and halos is a factor ˜3 larger than that due to 35 Mpc voids alone with a 1 Mpc shell thickness, which we studied in our previous work. We also study the effect of the existence of evacuated voids, by comparing to a model where all the halos are randomly distributed in the interior of the sphere with none on its surface. This does not significantly change the variance but does significantly change the demagnification tail. To a good approximation, the variance of the distribution depends only on the mean column density of halos (halo mass divided by its projected area), the concentration parameter of the halos, and the fraction of the mass density that is in the form of halos (as opposed to smoothly distributed); it is independent of how the halos are distributed in space. We derive an approximate analytic formula for the variance that agrees with our numerical results to ≲20% out to z≃1.5, and that can be used to study the dependence on halo parameters.

Investigations of formation of quasi-static vortex-structures in granular bodies using DEM

NASA Astrophysics Data System (ADS)

Kozicki, Jan; Tejchman, Jacek

2017-06-01

The paper presents some two-dimensional simulation results of vortex-structures in cohesionless initially dense sand during quasi-static passive wall translation. The sand behaviour was simulated using the discrete element method (DEM). Sand grains were modelled by spheres with contact moments to approximately capture the irregular grain shape. In order to detect vortex-structures, the Helmholtz-Hodge decomposition of a flow displacement field from DEM calculations was used. This approach enabled us to distinguish both incompressibility and vorticity in the granular displacement field.

Structure of colloidosomes with tunable particle density: Simulation versus experiment

NASA Astrophysics Data System (ADS)

Fantoni, Riccardo; Salari, Johannes W. O.; Klumperman, Bert

2012-06-01

Colloidosomes are created in the laboratory from a Pickering emulsion of water droplets in oil. The colloidosomes have approximately the same diameter and by choosing (hairy) particles of different diameters it is possible to control the particle density on the droplets. The experiment is performed at room temperature. The radial distribution function of the assembly of (primary) particles on the water droplet is measured in the laboratory and in a computer experiment of a fluid model of particles with pairwise interactions on the surface of a sphere.

Collinear swimmer propelling a cargo sphere at low Reynolds number.

PubMed

Felderhof, B U

2014-11-01

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 a no-slip boundary condition, as derived by Oseen, is used to model the hydrodynamic interactions between the big sphere and the little spheres.

Remote measurement of material properties from radiation force induced vibration of an embedded sphere.

PubMed

Chen, Shigao; Fatemi, Mostafa; Greenleaf, James F

2002-09-01

A quantitative model is presented for a sphere vibrated by two ultrasound beams of frequency omega1 and omega2. Due to the interference of two sound beams, the radiation force has a dynamic component of frequency omega2-omega1. The radiation impedance and mechanical impedance of the sphere are then used to compute the vibration speed of the sphere. Vibration speed versus vibration frequency is measured by laser vibrometer on several spheres, both in water and in gel phantom. These experimental results are used to verify the model. This method can be used to estimate the material properties of the medium (e.g., shear modulus) surrounding the sphere.

Charging of a conducting sphere in a weakly ionized collisional plasma: Temporal dynamics and stationary state

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grach, V. S., E-mail: vsgrach@app.sci-nnov.ru; Garasev, M. A.

2015-07-15

We consider the interaction of a isolated conducting sphere with a collisional weakly ionized plasma in an external field. We assume that the plasma consists of two species of ions neglecting of electrons. We take into account charging of the sphere due to sedimentation of plasma ions on it, the field of the sphere charge and the space charge, as well as recombination and molecular diffusion. The nonstationary problem of interaction of the sphere with the surrounding plasma is solved numerically. The temporal dynamics of the sphere charge and plasma perturbations is analyzed, as well as the properties of themore » stationary state. It is shown that the duration of transient period is determined by the recombination time and by the reverse conductivity of ions. The temporal dynamics of the sphere charge and plasma perturbations is determined by the intensity of recombination processes relative to the influence of the space charge field and diffusion. The stationary absolute value of the sphere charge increases linearly with the external electric field, decreases with the relative intensity of recombination processes and increases in the presence of substantial diffusion. The scales of the perturbed region in the plasma are determined by the radius of the sphere, the external field, the effect of diffusion, and the relative intensity of recombination processes. In the limiting case of the absence of molecular diffusion and a strong external field, the properties of the stationary state coincide with those obtained earlier as a result of approximate solution.« less

Directional spectral emissivity measurement system

NASA Technical Reports Server (NTRS)

Halyo, Nesim (Inventor); Pandey, Dhirendra K. (Inventor)

1992-01-01

Apparatus and process for determining the emissivity of a test specimen including an integrated sphere having two concentric walls with a coolant circulating therebetween, and disposed within a chamber which may be under ambient, vacuum or inert gas conditions. A reference sample is disposed within the sphere with a monochromatic light source in optical alignment therewith. A pyrometer is in optical alignment with the test sample for obtaining continuous test sample temperature measurements during a test. An arcuate slit port is provided through the spaced concentric walls of the integrating sphere with a movable monochromatic light source extending through and movable along the arcuate slit port. A detector system extends through the integrating sphere for continuously detecting an integrated signal indicative of all radiation within its field of view, as a function of the emissivity of the test specimen at various temperatures and various angle position of the monochromatic light source. A furnace for heating the test sample to approximately 3000 K. and control mechanism for transferring the heated sample from the furnace to the test sample port in the integrating sphere is also contained within the chamber.

Corrected Four-Sphere Head Model for EEG Signals.

PubMed

Næss, Solveig; Chintaluri, Chaitanya; Ness, Torbjørn V; Dale, Anders M; Einevoll, Gaute T; Wójcik, Daniel K

2017-01-01

The EEG signal is generated by electrical brain cell activity, often described in terms of current dipoles. By applying EEG forward models we can compute the contribution from such dipoles to the electrical potential recorded by EEG electrodes. Forward models are key both for generating understanding and intuition about the neural origin of EEG signals as well as inverse modeling, i.e., the estimation of the underlying dipole sources from recorded EEG signals. Different models of varying complexity and biological detail are used in the field. One such analytical model is the four-sphere model which assumes a four-layered spherical head where the layers represent brain tissue, cerebrospinal fluid (CSF), skull, and scalp, respectively. While conceptually clear, the mathematical expression for the electric potentials in the four-sphere model is cumbersome, and we observed that the formulas presented in the literature contain errors. Here, we derive and present the correct analytical formulas with a detailed derivation. A useful application of the analytical four-sphere model is that it can serve as ground truth to test the accuracy of numerical schemes such as the Finite Element Method (FEM). We performed FEM simulations of the four-sphere head model and showed that they were consistent with the corrected analytical formulas. For future reference we provide scripts for computing EEG potentials with the four-sphere model, both by means of the correct analytical formulas and numerical FEM simulations.

Corrected Four-Sphere Head Model for EEG Signals

PubMed Central

Næss, Solveig; Chintaluri, Chaitanya; Ness, Torbjørn V.; Dale, Anders M.; Einevoll, Gaute T.; Wójcik, Daniel K.

2017-01-01

The EEG signal is generated by electrical brain cell activity, often described in terms of current dipoles. By applying EEG forward models we can compute the contribution from such dipoles to the electrical potential recorded by EEG electrodes. Forward models are key both for generating understanding and intuition about the neural origin of EEG signals as well as inverse modeling, i.e., the estimation of the underlying dipole sources from recorded EEG signals. Different models of varying complexity and biological detail are used in the field. One such analytical model is the four-sphere model which assumes a four-layered spherical head where the layers represent brain tissue, cerebrospinal fluid (CSF), skull, and scalp, respectively. While conceptually clear, the mathematical expression for the electric potentials in the four-sphere model is cumbersome, and we observed that the formulas presented in the literature contain errors. Here, we derive and present the correct analytical formulas with a detailed derivation. A useful application of the analytical four-sphere model is that it can serve as ground truth to test the accuracy of numerical schemes such as the Finite Element Method (FEM). We performed FEM simulations of the four-sphere head model and showed that they were consistent with the corrected analytical formulas. For future reference we provide scripts for computing EEG potentials with the four-sphere model, both by means of the correct analytical formulas and numerical FEM simulations. PMID:29093671

Prevention of unrecognized joint penetration during internal fixation of hip fractures: a geometric model based on Steinmetz Solid.

PubMed

Mao, Yujiang; Song, Jie; Wei, Jie; Wang, Manyi

2010-01-01

Unrecognized joint penetration (UJP) by screw penetration through the articular surface undetectable on routine anteroposterior (AP) and lateral radiographs can cause serious complications. We have developed a geometric model to analyze UJP, and methods for the prevention of the problem. A Steinmetz Solid (SS) is the overlapping portion between two identical, vertically intersecting cylinders. The AP and lateral radiographs of a femoral head (simplified as a sphere) are projections of two cylinder-shaped images. A screw that appears to be within the femoral head in fact only lies within the cylinder. A screw apparently within the femoral head on both AP and lateral images is only confined to the SS generated by two cylinders, but not necessarily confined to the femoral head itself. We have therefore analyzed UJP using a geometric model based on SS. The geometric basis of UJP lies in the fact that the SS is larger than the sphere (femoral head) with a volume ratio of 4: π. The theoretical risk of UJP for any screw therefore can be as high as 21.5% ((4-π)/4). In reality, screws are always carefully placed to ensure a distance between the screw's tip and the edge of femoral head (tip-to-edge distance, or TED). This TED effectively lowers the risk of UJP by reducing the size of the screw-confining SS. When the SS entirely fits into (internally tangential to) the femoral head, the risk of UJP approaches zero. A TED fulfilling this requirement can be regarded as safe (approximately 0.29 x femoral head radius). With a femoral head diameter of 5 cm, the safe TED is approximately 7 mm.

Efficient finite element modeling of radiation forces on elastic particles of arbitrary size and geometry.

PubMed

Glynne-Jones, Peter; Mishra, Puja P; Boltryk, Rosemary J; Hill, Martyn

2013-04-01

A finite element based method is presented for calculating the acoustic radiation force on arbitrarily shaped elastic and fluid particles. Importantly for future applications, this development will permit the modeling of acoustic forces on complex structures such as biological cells, and the interactions between them and other bodies. The model is based on a non-viscous approximation, allowing the results from an efficient, numerical, linear scattering model to provide the basis for the second-order forces. Simulation times are of the order of a few seconds for an axi-symmetric structure. The model is verified against a range of existing analytical solutions (typical accuracy better than 0.1%), including those for cylinders, elastic spheres that are of significant size compared to the acoustic wavelength, and spheroidal particles.

Musica Universalis or the Music of the Spheres

NASA Astrophysics Data System (ADS)

Birat, Jean-Pierre

2018-06-01

The Music of the Spheres was a model of the universe proposed by Pythagoras and Aristotle, which explained cosmology in terms of spheres to which the sun, the moon and the planets were pinned, while their motion was driven by something akin to music. Modern thinking, related to ecology and industrial ecology, has metaphorically breathed life back into this old model by speaking about spheres again: biosphere, geosphere, anthroposphere, technosphere, hydrosphere, cryosphere, atmosphere, etc. Sustainable development also speaks about its three pillars (economy, environment, society) represented in a Venn diagram as intersecting circles (or spheres). All these models differ from the models of physicists, as they are more conceptual diagrams than a representation of the world as it is. Thus, they remind us of the old Music of the Spheres model. They also stress connections, exchanges, equilibria between the spheres - or the lack of them -, like Pythagoras' music. The presentation will discuss these various approaches, see how they match to some extent, but also how they do not show a perfect fit. Analyzing what happens at the boundaries of the spheres, where they overlap or penetrate into each other, is a powerful way to analyze the connection between technology, society, life and ecosystems. It can also help discuss pollution, ecotoxicology and explore global solutions. This article was given as a keynote lecture at the EMERC 2017 (First International Conference on Energy and Material Efficiency), organized by ISIJ in Kobe, Japan, 11-13 October, 2017.

Particle connectedness and cluster formation in sequential depositions of particles: integral-equation theory.

PubMed

Danwanichakul, Panu; Glandt, Eduardo D

2004-11-15

We applied the integral-equation theory to the connectedness problem. The method originally applied to the study of continuum percolation in various equilibrium systems was modified for our sequential quenching model, a particular limit of an irreversible adsorption. The development of the theory based on the (quenched-annealed) binary-mixture approximation includes the Ornstein-Zernike equation, the Percus-Yevick closure, and an additional term involving the three-body connectedness function. This function is simplified by introducing a Kirkwood-like superposition approximation. We studied the three-dimensional (3D) system of randomly placed spheres and 2D systems of square-well particles, both with a narrow and with a wide well. The results from our integral-equation theory are in good accordance with simulation results within a certain range of densities.

Particle connectedness and cluster formation in sequential depositions of particles: Integral-equation theory

NASA Astrophysics Data System (ADS)

Danwanichakul, Panu; Glandt, Eduardo D.

2004-11-01

We applied the integral-equation theory to the connectedness problem. The method originally applied to the study of continuum percolation in various equilibrium systems was modified for our sequential quenching model, a particular limit of an irreversible adsorption. The development of the theory based on the (quenched-annealed) binary-mixture approximation includes the Ornstein-Zernike equation, the Percus-Yevick closure, and an additional term involving the three-body connectedness function. This function is simplified by introducing a Kirkwood-like superposition approximation. We studied the three-dimensional (3D) system of randomly placed spheres and 2D systems of square-well particles, both with a narrow and with a wide well. The results from our integral-equation theory are in good accordance with simulation results within a certain range of densities.

The Separate Spheres Model of Gendered Inequality.

PubMed

Miller, Andrea L; Borgida, Eugene

2016-01-01

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

The Separate Spheres Model of Gendered Inequality

PubMed Central

Miller, Andrea L.; Borgida, Eugene

2016-01-01

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

Structure of spherical electric double layers with fully asymmetric electrolytes: a systematic study by Monte Carlo simulations and density functional theory.

PubMed

Patra, Chandra N

2014-11-14

A systematic investigation of the spherical electric double layers with the electrolytes having size as well as charge asymmetry is carried out using density functional theory and Monte Carlo simulations. The system is considered within the primitive model, where the macroion is a structureless hard spherical colloid, the small ions as charged hard spheres of different size, and the solvent is represented as a dielectric continuum. The present theory approximates the hard sphere part of the one particle correlation function using a weighted density approach whereas a perturbation expansion around the uniform fluid is applied to evaluate the ionic contribution. The theory is in quantitative agreement with Monte Carlo simulation for the density and the mean electrostatic potential profiles over a wide range of electrolyte concentrations, surface charge densities, valence of small ions, and macroion sizes. The theory provides distinctive evidence of charge and size correlations within the electrode-electrolyte interface in spherical geometry.

Molecular origin of differences in hole and electron mobility in amorphous Alq3--a multiscale simulation study.

PubMed

Fuchs, Andreas; Steinbrecher, Thomas; Mommer, Mario S; Nagata, Yuki; Elstner, Marcus; Lennartz, Christian

2012-03-28

In order to determine the molecular origin of the difference in electron and hole mobilities of amorphous thin films of Alq(3) (meridional Alq(3) (tris(8-hydroxyquinoline) aluminium)) we performed multiscale simulations covering quantum mechanics, molecular mechanics and lattice models. The study includes realistic disordered morphologies, polarized site energies to describe diagonal disorder, quantum chemically calculated transfer integrals for the off-diagonal disorder, inner sphere reorganization energies and an approximative scheme for outer sphere reorganization energies. Intermolecular transfer rates were calculated via Marcus-theory and mobilities were simulated via kinetic Monte Carlo simulations and by a Master Equation approach. The difference in electron and hole mobility originates from the different localization of charge density in the radical anion (more delocalized) compared to the radical cation (more confined). This results in higher diagonal disorder for holes and less favourable overlap properties for the hole transfer integrals leading to an overall higher electron mobility.

Roto-orbital dynamics of a triaxial rigid body around a sphere. Relative equilibria and stability

NASA Astrophysics Data System (ADS)

Crespo, F.; Ferrer, S.

2018-06-01

We study the roto-orbital motion of a triaxial rigid body around a sphere, which is assumed to be much more massive than the triaxial body. The associated dynamics of this system, which consists of a normalized Hamiltonian with respect to the fast angles (partial averaging), is investigated making use of variables referred to the total angular momentum. The first order approximation of this model is integrable. We carry out the analysis of the relative equilibria, which hinges principally in the dihedral angle between the orbital and rotational planes and the ratio among the moments of inertia ρ = (B - A) / (2 C - B - A) . In particular, the dynamics of the body frame, though formally given by the classical Euler equations, experiences changes of stability in the principal directions related to the roto-orbital coupling. When ρ = 1 / 3 , we find a family of relative equilibria connected to the unstable equilibria of the free rigid body.

Remote measurement of material properties from radiation force induced vibration of an embedded sphere

NASA Astrophysics Data System (ADS)

Chen, Shigao; Fatemi, Mostafa; Greenleaf, James F.

2002-09-01

A quantitative model is presented for a sphere vibrated by two ultrasound beams of frequency omega1 and omega2. Due to the interference of two sound beams, the radiation force has a dynamic component of frequency omega]2-[omega1. The radiation impedance and mechanical impedance of the sphere are then used to compute the vibration speed of the sphere. Vibration speed versus vibration frequency is measured by laser vibrometer on several spheres, both in water and in gel phantom. These experimental results are used to verify the model. This method can be used to estimate the material properties of the medium (e.g., shear modulus) surrounding the sphere. copyright 2002 Acoustical Society of America.

The Kinetics of Crystallization of Colloids and Proteins: A Light Scattering Study

NASA Technical Reports Server (NTRS)

McClymer, Jim

2002-01-01

Hard-sphere colloidal systems serve as model systems for aggregation, nucleation, crystallization and gelation as well as interesting systems in their own right.There is strong current interest in using colloidal systems to form photonic crystals. A major scientific thrust of NASA's microgravity research is the crystallization of proteins for structural determination. The crystallization of proteins is a complicated process that requires a great deal of trial and error experimentation. In spite of a great deal of work, "better" protein crystals cannot always be grown in microgravity and conditions for crystallization are not well understood. Crystallization of colloidal systems interacting as hard spheres and with an attractive potential induced by entropic forces have been studied in a series of static light scattering experiments. Additionally, aggregation of a protein as a function of pH has been studied using dynamic light scattering. For our experiments we used PMMA (polymethylacrylate) spherical particles interacting as hard spheres, with no attractive potential. These particles have a radius of 304 nanometers, a density of 1.22 gm/ml and an index of refraction of 1.52. A PMMA colloidal sample at a volume fraction of approximately 54% was index matched in a solution of cycloheptyl bromide (CHB) and cis-decalin. The sample is in a glass cylindrical vial that is placed in an ALV static and dynamic light scattering goniometer system. The vial is immersed in a toluene bath for index matching to minimize flair. Vigorous shaking melts any colloidal crystals initially present. The sample is illuminated with diverging laser light (632.8 nanometers) from a 4x microscope objective placed so that the beam is approximately 1 cm in diameter at the sample location. The sample is rotated about its long axis at approximately 3.5 revolutions per minute (highest speed) as the colloidal crystal system is non-ergodic. The scattered light is detected at various angles using the ALV light detection optics, which is fed into an APD detector module and linked to a computer. The scattering angle (between 12 and 160 degrees), scattering angle step size (0.1 degree minimum) and acquisition time (minimum 3 s) is set by the user.

Eddy currents in the measurement of magnetic susceptibility of rocks

NASA Astrophysics Data System (ADS)

Ježek, Josef; Hrouda, František

2018-01-01

The in-phase and out-of-phase susceptibility of rocks is determined by the magnetic permeability of minerals, their viscous relaxation, and by eddy currents in electrically conductive minerals induced by the applied field. The last effect has been modelled by analytical solution of Maxwell equations for a conductive sphere immersed in a homogeneous, non-conductive medium with given permeability, in presence of an alternating field. The solution is a complex function of parameters describing the sphere (its size, conductivity and permeability), surrounding medium (permeability) and applied field (frequency). Without numerical evaluations, it is difficult to distinguish in-phase and out-of-phase (OPS) susceptibility. In this paper, approximate equations are derived for both susceptibility components, which depend only on the permeability contrast between the sphere and the surrounding medium, and the skin ratio, defined as the ratio between sphere radius and skin depth of the induced currents. These equations are used to obtain a systematic assessment of the role of electrical conductivity in determining the susceptibility of rock samples. The contribution of eddy currents to the susceptibility of diluted (<5%) magnetite particle dispersions is negligible at 1 kHz, but not at higher frequencies. Common rock-forming paramagnetic and diamagnetic minerals with weak electrical conductivity and magnetic permeability are characterized by negligible OPS at 1 kHz. Theoretically, measurable OPS and high phase angles can be produced by paramagnetic conductive minerals in certain combinations with a diamagnetic matrix. This can be excluded from practical point of view for paramagnetic minerals with susceptibilities >0.003 and conductivities not exceeding 5000 S/m.

Use of high temperature insulation for ceramic matrix composites in gas turbines

DOEpatents

Morrison, Jay Alan; Merrill, Gary Brian; Ludeman, Evan McNeil; Lane, Jay Edgar

2001-01-01

A ceramic composition for insulating components, made of ceramic matrix composites, of gas turbines is provided. The composition comprises a plurality of hollow oxide-based spheres of various dimensions, a phosphate binder, and at least one oxide filler powder, whereby the phosphate binder partially fills gaps between the spheres and the filler powders. The spheres are situated in the phosphate binder and the filler powders such that each sphere is in contact with at least one other sphere and the arrangement of spheres is such that the composition is dimensionally stable and chemically stable at a temperature of approximately 1600.degree. C. A stationary vane of a gas turbine comprising the composition of the present invention bonded to the outer surface of the vane is provided. A combustor comprising the composition bonded to the inner surface of the combustor is provided. A transition duct comprising the insulating coating bonded to the inner surface of the transition is provided. Because of abradable properties of the composition, a gas turbine blade tip seal comprising the composition also is provided. The composition is bonded to the inside surface of a shroud so that a blade tip carves grooves in the composition so as to create a customized seal for the turbine blade tip.

Studies of drag on the nanocomposite superhydrophobic surfaces

NASA Astrophysics Data System (ADS)

Brassard, Jean-Denis; Sarkar, D. K.; Perron, Jean

2015-01-01

The nanocomposite thin films of stearic acid (SA)-functionalized ZnO nanoparticles incorporated in epoxy polymer matrix have been achieved. The X-ray diffraction (XRD) studies show the formation of zinc stearate on ZnO nanoparticles as the confirmation of SA-functionalization of ZnO nanoparticles in the thin films. Morphological analyses reveal the presence of micro-holes with the presence of irregular nanoparticles. The measured root mean square (rms) roughness of the thin film is found to be 12 ± 1 μm with the adhesion of 5B on both glass and aluminum substrates. The wetting property shows that the surface of the film is superhydrophobic with the contact angle of water of 156 ± 4° having contact angle hysteresis (CAH) of 4 ± 2°. The average terminal velocity in the water of the as-received glass spheres and superhydrophobic spheres were found to be 0.66 ± 0.01 m/s and 0.72 ± 0.01 m/s respectively. Consequently, the calculated average coefficients of the surface drag of the as-received glass sphere and superhydrophobic glass sphere were 2.30 ± 0.01 and 1.93 ± 0.03, respectively. Hence, the drag reduction on the surface of superhydrophobic glass sphere is found to be approximately 16% lower than as-received glass sphere.

Enteric coated spheres produced by extrusion/spheronization provide effective gastric protection and efficient release of live therapeutic bacteria.

PubMed

de Barros, João M S; Lechner, Tabea; Charalampopoulos, Dimitrios; Khutoryanskiy, Vitaliy V; Edwards, Alexander D

2015-09-30

We present a novel but simple enteric coated sphere formulation containing probiotic bacteria (Lactobacillus casei). Oral delivery of live bacterial cells (LBC) requires live cells to survive firstly manufacturing processes and secondly GI microbicidal defenses including gastric acid. We incorporated live L. casei directly in the granulation liquid, followed by granulation, extrusion, spheronization, drying and spray coating to produce dried live probiotic spheres. A blend of MCC, calcium-crosslinked alginate, and lactose was developed that gave improved live cell survival during manufacturing, and gave excellent protection from gastric acid plus rapid release in intestinal conditions. No significant loss of viability was observed in all steps except drying, which resulted in approximately 1 log loss of viable cells. Eudragit coating was used to protect dried live cells from acid, and microcrystalline cellulose (MCC) was combined with sodium alginate to achieve efficient sphere disintegration leading to rapid and complete bacterial cell release in intestinal conditions. Viability and release of L. casei was evaluated in vitro in simulated GI conditions. Uncoated spheres gave partial acid protection, but enteric coated spheres effectively protected dried probiotic LBC from acid for 2h, and subsequently released all viable cells within 1h of transfer into simulated intestinal fluid. Copyright © 2015 Elsevier B.V. All rights reserved.

Elucidation of spin echo small angle neutron scattering correlation functions through model studies.

PubMed

Shew, Chwen-Yang; Chen, Wei-Ren

2012-02-14

Several single-modal Debye correlation functions to approximate part of the overall Debey correlation function of liquids are closely examined for elucidating their behavior in the corresponding spin echo small angle neutron scattering (SESANS) correlation functions. We find that the maximum length scale of a Debye correlation function is identical to that of its SESANS correlation function. For discrete Debye correlation functions, the peak of SESANS correlation function emerges at their first discrete point, whereas for continuous Debye correlation functions with greater width, the peak position shifts to a greater value. In both cases, the intensity and shape of the peak of the SESANS correlation function are determined by the width of the Debye correlation functions. Furthermore, we mimic the intramolecular and intermolecular Debye correlation functions of liquids composed of interacting particles based on a simple model to elucidate their competition in the SESANS correlation function. Our calculations show that the first local minimum of a SESANS correlation function can be negative and positive. By adjusting the spatial distribution of the intermolecular Debye function in the model, the calculated SESANS spectra exhibit the profile consistent with that of hard-sphere and sticky-hard-sphere liquids predicted by more sophisticated liquid state theory and computer simulation. © 2012 American Institute of Physics

Facile synthesis and microwave absorbability of C@Ni–NiO core–shell hybrid solid sphere and multi-shelled NiO hollow sphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Hongjing, E-mail: wuhongjing@mail.nwpu.edu.cn; Wu, Guanglei, E-mail: wuguanglei@mail.xjtu.edu.cn; Wu, Qiaofeng

2014-11-15

We reported the preparation of C@Ni–NiO core–shell hybrid solid spheres or multi-shelled NiO hollow spheres by combining a facile hydrothermal route with a calcination process in H{sub 2} or air atmosphere, respectively. The synthesized C@Ni–NiO core–shell solid spheres with diameters of approximately 2–6 μm were in fact built from dense NiO nanoparticles coated by random two-dimensional metal Ni nanosheets without any visible pores. The multi-shelled NiO hollow spheres were built from particle-like ligaments and there are a lot of pores with size of several nanometers on the surface. Combined Raman spectra with X-ray photoelectron spectra (XPS), it suggested that themore » defects in the samples play a limited role in the dielectric loss. Compared with the other samples, the permeability of the samples calcined in H{sub 2} and air was increased slightly and the natural resonance frequency shifted to higher frequency (7, 11 and 14 GHz, respectively), leading to an enhancement of microwave absorption property. For the sample calcined in H{sub 2}, an optimal reflection loss less than − 10 was obtained at 7 GHz with a matching thickness of 5.0 mm. Our study demonstrated the potential application of C@Ni–NiO core–shell hybrid solid sphere or multi-shelled NiO hollow sphere as a more efficient electromagnetic (EM) wave absorber. - Highlights: • C@Ni–NiO core–shell hybrid solid sphere was synthesized by a facile method. • Multi-shelled NiO hollow sphere was synthesized by a facile method. • It suggested that the defects in the samples play a limited role in dielectric loss. • The permeability of the samples calcined in H{sub 2} and air was increased. • Microwave absorbability of C@Ni–NiO core–shell hybrid solid sphere was investigated.« less

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

NASA Astrophysics Data System (ADS)

Urakami, Naohito; Imai, Masayuki

2003-07-01

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

Asymptotic orderings and approximations of the Master kinetic equation for large hard spheres systems

NASA Astrophysics Data System (ADS)

Tessarotto, Massimo; Asci, Claudio

2017-05-01

In this paper the problem is posed of determining the physically-meaningful asymptotic orderings holding for the statistical description of a large N-body system of hard spheres, i.e., formed by N ≡1/ε ≫ 1 particles, which are allowed to undergo instantaneous and purely elastic unary, binary or multiple collisions. Starting point is the axiomatic treatment recently developed [Tessarotto et al., 2013-2016] and the related discovery of an exact kinetic equation realized by Master equation which advances in time the 1-body probability density function (PDF) for such a system. As shown in the paper the task involves introducing appropriate asymptotic orderings in terms of ε for all the physically-relevant parameters. The goal is that of identifying the relevant physically-meaningful asymptotic approximations applicable for the Master kinetic equation, together with their possible relationships with the Boltzmann and Enskog kinetic equations, and holding in appropriate asymptotic regimes. These correspond either to dilute or dense systems and are formed either by small-size or finite-size identical hard spheres, the distinction between the various cases depending on suitable asymptotic orderings in terms of ε.

CONSISTENCY AND THE FIFTH VIRIAL COEFFICIENT FOR A HARD-SPHERE GAS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cole, G.H.A.

1962-03-15

The modified superposition approximation g(/sup 3/)(r,s,t) = g(.syo 2)(r/ sup 2/g(/sup 2/)(s)g(/sup 2/)(t)STAl + X/sub 1/n + X/sub 2/n/sup 2/!(where g/sup (3)/si the triplet distribution, g(/sup 2/) the pair distribution, n the number density, and (r,s,t) are the particle separation distances) is used in conjunction with the Born-Green-Yvon equation of the classical theory of fluids in the calculation of the fifth virial coefficient E for a gas of hard spheres. The values of E derived directly from the virial theorem and alternatively from compressibility arguments are reconciled through a suitable choice of X/sub 2/. On the assumption X/sub i/ =more » constant it is found for hard spheres that X/sub 1/ = 0.1014b and X/sub 2/ = -0.0424b/sub 2/ (b = four times a molecular volume) ensures consistency as far as the fifth virial coefficient. The consistent value of E under this approximation is +0.0242b/sup 4/. The validity of the arguments is considered. (auth)« less

Dynamical systems model and discrete element simulations of a tapped granular column

NASA Astrophysics Data System (ADS)

Rosato, A. D.; Blackmore, D.; Tricoche, X. M.; Urban, K.; Zuo, L.

2013-06-01

We present an approximate dynamical systems model for the mass center trajectory of a tapped column of N uniform, inelastic, spheres (diameter d), in which collisional energy loss is governed by the Walton-Braun linear loading-unloading soft interaction. Rigorous analysis of the model, akin to the equations for the motion of a single bouncing ball on a vibrating plate, reveals a parameter γ≔2aω2(1+e)/g that gauges the dynamical regimes and their transitions. In particular, we find bifurcations from periodic to chaotic dynamics that depend on frequency ω, amplitude a/d of the tap. Dynamics predicted by the model are also qualitatively observed in discrete element simulations carried out over a broad range of the tap parameters.

A DIM model for sodium cluster-ions interacting with a charged conducting sphere

NASA Astrophysics Data System (ADS)

Kuntz, P. J.

A diatomics-in-molecules (DIM) model for the energy, shape and charge distribution of metal cluster ions in the presence of a charged insulated conducting sphere is presented. The electrostatic interaction between the sphere and the cluster-ion is introduced in a self-consistent manner which allows the sphere to be polarized by the ion and the ion by the sphere. This interaction appears in the diagonal elements of the model Hamiltonian matrix in such a way that the lowest eigenvalue includes the correct electrostatic energy for the charge distribution in the ground state. The model is applied to the calculation of fusion barriers for Na+2 and Na+3 ions. When both the charge distribution and the geometric configuration of the cluster-ion are allowed to relax freely, the energy as a function of distance from the sphere is nearly the same as that calculated from the electrostatic energy alone, which implies that details of the molecular structure of the cluster-ion can be neglected in calculating fusion barriers from charge polarization alone. That the fusion barriers lie sufficiently far away from the sphere so that the molecule does not dissociate under the influence of the Coulomb interaction confirms that it is meaningful to speak of two separate entities at the barrier position.

The unstaggered extension to GFDL's FV3 dynamical core on the cubed-sphere

NASA Astrophysics Data System (ADS)

Chen, X.; Lin, S. J.; Harris, L.

2017-12-01

Finite-volume schemes have become popular for atmospheric transport since they provide intrinsic mass conservation to constituent species. Many CFD codes use unstaggered discretizations for finite volume methods with an approximate Riemann solver. However, this approach is inefficient for geophysical flows due to the complexity of the Riemann solver. We introduce a Low Mach number Approximate Riemann Solver (LMARS) simplified using assumptions appropriate for atmospheric flows: the wind speed is much slower than the sound speed, weak discontinuities, and locally uniform sound wave velocity. LMARS makes possible a Riemann-solver-based dynamical core comparable in computational efficiency to many current dynamical cores. We will present a 3D finite-volume dynamical core using LMARS in a cubed-sphere geometry with a vertically Lagrangian discretization. Results from standard idealized test cases will be discussed.

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

NASA Astrophysics Data System (ADS)

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

2010-12-01

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

Structure and phase behavior of a confined nanodroplet composed of the flexible chain molecules.

PubMed

Kim, Soon-Chul; Kim, Eun-Young; Seong, Baek-Seok

2011-04-28

A polymer density functional theory has been employed for investigating the structure and phase behaviors of the chain polymer, which is modelled as the tangentially connected sphere chain with an attractive interaction, inside the nanosized pores. The excess free energy of the chain polymer has been approximated as the modified fundamental measure-theory for the hard spheres, the Wertheim's first-order perturbation for the chain connectivity, and the mean-field approximation for the van der Waals contribution. For the value of the chemical potential corresponding to a stable liquid phase in the bulk system and a metastable vapor phase, the flexible chain molecules undergo the liquid-vapor transition as the pore size is reduced; the vapor is the stable phase at small volume, whereas the liquid is the stable phase at large volume. The wide liquid-vapor coexistence curve, which explains the wide range of metastable liquid-vapor states, is observed at low temperature. The increase of temperature and decrease of pore size result in a narrowing of liquid-vapor coexistence curves. The increase of chain length leads to a shift of the liquid-vapor coexistence curve towards lower values of chemical potential. The coexistence curves for the confined phase diagram are contained within the corresponding bulk liquid-vapor coexistence curve. The equilibrium capillary phase transition occurs at a higher chemical potential than in the bulk phase.

Analysis for Heat Transfer in a High Current-Passing Carbon Nanosphere Using Nontraditional Thermal Transport Model.

PubMed

Hol C Y; Chen, B C; Tsai, Y H; Ma, C; Wen, M Y

2015-11-01

This paper investigates the thermal transport in hollow microscale and nanoscale spheres subject to electrical heat source using nontraditional thermal transport model. Working as supercapacitor electrodes, carbon hollow micrometer- and nanometer-sized spheres needs excellent heat transfer characteristics to maintain high specific capacitance, long cycle life, and high power density. In the nanoscale regime, the prediction of heat transfer from the traditional heat conduction equation based on Fourier's law deviates from the measured data. Consequently, the electrical heat source-induced heat transfer characteristics in hollow micrometer- and nanometer-sized spheres are studied using nontraditional thermal transport model. The effects of parameters on heat transfer in the hollow micrometer- and nanometer-sized spheres are discussed in this study. The results reveal that the heat transferred into the spherical interior, temperature and heat flux in the hollow sphere decrease with the increasing Knudsen number when the radius of sphere is comparable to the mean free path of heat carriers.

Effect of heterogeneity and shape on optical properties of urban dust based on three-dimensional modeling of individual particles

NASA Astrophysics Data System (ADS)

Conny, Joseph M.; Ortiz-Montalvo, Diana L.

2017-09-01

We show the effect of composition heterogeneity and shape on the optical properties of urban dust particles based on the three-dimensional spatial and optical modeling of individual particles. Using scanning electron microscopy/energy-dispersive X-ray spectroscopy (SEM/EDX) and focused ion beam (FIB) tomography, spatial models of particles collected in Los Angeles and Seattle accounted for surface features, inclusions, and voids, as well as overall composition and shape. Using voxel data from the spatial models and the discrete dipole approximation method, we report extinction efficiency, asymmetry parameter, and single-scattering albedo (SSA). Test models of the particles involved (1) the particle's actual morphology as a single homogeneous phase and (2) simple geometric shapes (spheres, cubes, and tetrahedra) depicting composition homogeneity or heterogeneity (with multiple spheres). Test models were compared with a reference model, which included the particle's actual morphology and heterogeneity based on SEM/EDX and FIB tomography. Results show particle shape to be a more important factor for determining extinction efficiency than accounting for individual phases in a particle, regardless of whether absorption or scattering dominated. In addition to homogeneous models with the particles' actual morphology, tetrahedral geometric models provided better extinction accuracy than spherical or cubic models. For iron-containing heterogeneous particles, the asymmetry parameter and SSA varied with the composition of the iron-containing phase, even if the phase was <10% of the particle volume. For particles containing loosely held phases with widely varying refractive indexes (i.e., exhibiting "severe" heterogeneity), only models that account for heterogeneity may sufficiently determine SSA.

Transition from one revolving cluster to two revolving clusters in the ground-state rotational bands of nuclei in the lanthanon region.

PubMed

Pauling, L

1991-02-01

Whereas 234(92)U142 and other actinon nuclei have ground-state bands that indicate that each nucleus consists of a sphere and a single revolving cluster with constant composition and with only a steady increase in the moment of inertia with increase in J, the angular-momentum quantum number, many of the lanthanon ground-state bands show discontinuities, usually with an initial slightly or strongly curved segment followed by one or two nearly straight segments. The transition to nearly straight segments is interpreted as a change in structure from one revolving cluster to two revolving clusters. The proton-neutron compositions of the clusters and the central sphere are assigned, leading to values of the radius of revolution. The approximation of the two-cluster sequences to linearity is attributed to the very small values of the quadrupole polarizability of the central sphere. Values of the nucleon numbers of clusters and spheres, of the radius of revolution, and of promotion energy are discussed.

A resonance shift prediction based on the Boltzmann-Ehrenfest principle for cylindrical cavities with a rigid sphere.

PubMed

Santillan, Arturo O; Cutanda-Henríquez, Vicente

2008-11-01

An investigation on the resonance frequency shift for a plane-wave mode in a cylindrical cavity produced by a rigid sphere is reported in this paper. This change of the resonance frequency has been previously considered as a cause of oscillational instabilities in single-mode acoustic levitation devices. It is shown that the use of the Boltzmann-Ehrenfest principle of adiabatic invariance allows the derivation of an expression for the resonance frequency shift in a simpler and more direct way than a method based on a Green's function reported in literature. The position of the sphere can be any point along the axis of the cavity. Obtained predictions of the resonance frequency shift with the deduced equation agree quite well with numerical simulations based on the boundary element method. The results are also confirmed by experiments. The equation derived from the Boltzmann-Ehrenfest principle appears to be more general, and for large spheres, it gives a better approximation than the equation previously reported.

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

NASA Astrophysics Data System (ADS)

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

2013-12-01

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

Solvation structure of the halides from x-ray absorption spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Antalek, Matthew; Hedman, Britt; Sarangi, Ritimukta, E-mail: ritis@slac.stanford.edu

2016-07-28

Three-dimensional models for the aqueous solvation structures of chloride, bromide, and iodide are reported. K-edge extended X-ray absorption fine structure (EXAFS) and Minuit X-ray absorption near edge (MXAN) analyses found well-defined single shell solvation spheres for bromide and iodide. However, dissolved chloride proved structurally distinct, with two solvation shells needed to explain its strikingly different X-ray absorption near edge structure (XANES) spectrum. Final solvation models were as follows: iodide, 8 water molecules at 3.60 ± 0.13 Å and bromide, 8 water molecules at 3.40 ± 0.14 Å, while chloride solvation included 7 water molecules at 3.15 ± 0.10 Å, andmore » a second shell of 7 water molecules at 4.14 ± 0.30 Å. Each of the three derived solvation shells is approximately uniformly disposed about the halides, with no global asymmetry. Time-dependent density functional theory calculations simulating the chloride XANES spectra following from alternative solvation spheres revealed surprising sensitivity of the electronic state to 6-, 7-, or 8-coordination, implying a strongly bounded phase space for the correct structure during an MXAN fit. MXAN analysis further showed that the asymmetric solvation predicted from molecular dynamics simulations using halide polarization can play no significant part in bulk solvation. Classical molecular dynamics used to explore chloride solvation found a 7-water solvation shell at 3.12 (−0.04/+0.3) Å, supporting the experimental result. These experiments provide the first fully three-dimensional structures presenting to atomic resolution the aqueous solvation spheres of the larger halide ions.« less

Radiation characteristics and effective optical properties of dumbbell-shaped cyanobacterium Synechocystis sp.

NASA Astrophysics Data System (ADS)

Heng, Ri-Liang; Pilon, Laurent

2016-05-01

This study presents experimental measurements of the radiation characteristics of unicellular freshwater cyanobacterium Synechocystis sp. during their exponential growth in F medium. Their scattering phase function at 633 nm average spectral absorption and scattering cross-sections between 400 and 750 nm were measured. In addition, an inverse method was used for retrieving the spectral effective complex index of refraction of overlapping or touching bispheres and quadspheres from their absorption and scattering cross-sections. The inverse method combines a genetic algorithm and a forward model based on Lorenz-Mie theory, treating bispheres and quadspheres as projected area and volume-equivalent coated spheres. The inverse method was successfully validated with numerically predicted average absorption and scattering cross-sections of suspensions consisting of bispheres and quadspheres, with realistic size distributions, using the T-matrix method. It was able to retrieve the monomers' complex index of refraction with size parameter up to 11, relative refraction index less than 1.3, and absorption index less than 0.1. Then, the inverse method was applied to retrieve the effective spectral complex index of refraction of Synechocystis sp. approximated as randomly oriented aggregates consisting of two overlapping homogeneous spheres. Both the measured absorption cross-section and the retrieved absorption index featured peaks at 435 and 676 nm corresponding to chlorophyll a, a peak at 625 nm corresponding to phycocyanin, and a shoulder around 485 nm corresponding to carotenoids. These results can be used to optimize and control light transfer in photobioreactors. The inverse method and the equivalent coated sphere model could be applied to other optically soft particles of similar morphologies.

Mass transport in polyelectrolyte solutions

NASA Astrophysics Data System (ADS)

Schipper, F. J. M.; Leyte, J. C.

1999-02-01

The self-diffusion coefficients of the three components of a salt-free heavy-water solution of polymethacrylic acid, completely neutralized with tetra-methylammonium hydroxide, were measured over a broad concentration range. Three concentration regions were observed for the self-diffusion of both the polyions and the counterions. At polyion concentrations below 0.01 mol monomer kg-1, the dilute concentration regime for the polymer, the polyion self-diffusion coefficient approaches the self-diffusion coefficient of a freely diffusing rod upon dilution. At polyelectrolyte concentrations above 0.1 mol monomer kg-1, the self-diffusion coefficients of the solvent, the counterions and the polymer decreased with concentration, suggesting that this decrease is due to a topological constraint on the motions of the components. In the intermediate-concentration region, the self-diffusion coefficients of the polyions and the counterions are independent of the concentration. The polyion dynamic behaviour is, in the intermediate- and high-concentration regions, reasonably well described by that of a hard sphere, with a radius of 3.7 nm. A correct prediction for the solvent dynamics is given by the obstruction effect of this hard sphere on the solvent. The relative counterion self-diffusion coefficient is predicted almost quantitatively over the entire concentration range with the Poisson-Boltzmann-Smoluchowski model for the spherical cell, provided that the sphere radius and the number of charges are chosen appropriately (approximately the number of charges in a persistence length). Using this model, the dependence of the counterion self-diffusion coefficient on the ionic strength, polyion concentration and counterion radius is calculated quantitatively over a large concentration range.

Side chain flexibility and the pore dimensions in the GABAA receptor

NASA Astrophysics Data System (ADS)

Rossokhin, Alexey V.; Zhorov, Boris S.

2016-07-01

Permeation of ions through open channels and their accessibility to pore-targeting drugs depend on the pore cross-sectional dimensions, which are known only for static X-ray and cryo-EM structures. Here, we have built homology models of the closed, open and desensitized α1β2γ2 GABAA receptor (GABAAR). The models are based, respectively, on the X-ray structure of α3 glycine receptor (α3 GlyR), cryo-EM structure of α1 GlyR and X-ray structure of β3 GABAAR. We employed Monte Carlo energy minimizations to explore how the pore lumen may increase due to repulsions of flexible side chains from a variable-diameter electroneutral atom (an expanding sphere) pulled through the pore. The expanding sphere computations predicted that the pore diameter averaged along the permeation pathway is larger by approximately 3 Å than that computed for the models with fixed sidechains. Our models predict three major pore constrictions located at the levels of -2', 9' and 20' residues. Residues around the -2' and 9' rings are known to form the desensitization and activation gates of GABAAR. Our computations predict that the 20' ring may also serve as GABAAR gate whose physiological role is unclear. The side chain flexibility of residues -2', 9' and 20' and hence the dimensions of the constrictions depend on the GABAAR functional state.

Interaction of a shock wave with multiple spheres suspended in different arrangements

NASA Astrophysics Data System (ADS)

Zhang, Li-Te; Sui, Zhen-Zhen; Shi, Hong-Hui

2018-03-01

In this study, the unsteady drag force, Fd, drag coefficient, Cd, and the relevant dynamic behaviors of waves caused by the interaction between a planar incident shock wave and a multi-sphere model are investigated by using imbedded accelerometers and a high-speed Schlieren system. The shock wave is produced in a horizontal 200 mm inner diameter circular shock tube with a 2000 mm × 200 mm × 200 mm transparent test section. The time history of Cd is obtained based on band-block and low-pass Fast Fourier Transformation filtering combined with Savitzky-Golay polynomial smoothing for the measured acceleration. The effects of shock Mach number, Ms, geometry of multi-sphere model, nondimensional distance between sphere centers, H, and channel blockage are analyzed. We find that all time histories of Cd have a similar double-peak shaped main structure. It is due to wave reflection, diffraction, interference, and convergence at different positions of the spheres. The peak Fd increases, whereas the peak Cd decreases monotonically with increasing Ms. The increase of shock strength due to shock focusing by upstream spheres increases the peak Fd of downstream spheres. Both the increase in sphere number and the decrease in distance between spheres promote wave interference between neighboring spheres. As long as the wave interference times are shorter than the peak times, the peak Fd and Cd are higher compared to a single sphere.

Supersymmetric gauged matrix models from dimensional reduction on a sphere

NASA Astrophysics Data System (ADS)

Closset, Cyril; Ghim, Dongwook; Seong, Rak-Kyeong

2018-05-01

It was recently proposed that N = 1 supersymmetric gauged matrix models have a duality of order four — that is, a quadrality — reminiscent of infrared dualities of SQCD theories in higher dimensions. In this note, we show that the zero-dimensional quadrality proposal can be inferred from the two-dimensional Gadde-Gukov-Putrov triality. We consider two-dimensional N = (0, 2) SQCD compactified on a sphere with the half-topological twist. For a convenient choice of R-charge, the zero-mode sector on the sphere gives rise to a simple N = 1 gauged matrix model. Triality on the sphere then implies a triality relation for the supersymmetric matrix model, which can be completed to the full quadrality.

Monte Carlo Criticality Analysis of Simple Geometrics COntaining Tungsten Rhenium Alloys Engrained with Uranium Dioxide and Uranium Mononitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jonathan A. Webb; Indrajit Charit

2011-08-01

The critical mass and dimensions of simple geometries containing highly enriched uraniumdioxide (UO2) and uraniummononitride (UN) encapsulated in tungsten-rhenium alloys are determined using MCNP5 criticality calculations. Spheres as well as cylinders with length to radius ratios of 1.82 are computationally built to consist of 60 vol.% fuel and 40 vol.% metal matrix. Within the geometries the uranium is enriched to 93 wt.% uranium-235 and the rhenium content within the metal alloy was modeled over a range of 0 to 30 at.%. The spheres containing UO2 were determined to have a critical radius of 18.29 cm to 19.11 cm and amore » critical mass ranging from 366 kg to 424 kg. The cylinders containing UO2 were found to have a critical radius ranging from 17.07 cm to 17.844 cm with a corresponding critical mass of 406 kg to 471 kg. Spheres engrained with UN were determined to have a critical radius ranging from 14.82 cm to 15.19 cm and a critical mass between 222 kg and 242 kg. Cylinders which were engrained with UN were determined to have a critical radius ranging from 13.811 cm to 14.155 cm with a corresponding critical mass of 245 kg to 267 kg. The critical geometries were also computationally submerged in a neutronaically infinite medium of fresh water to determine the effects of rhenium addition on criticality accidents due to water submersion. The monte carlo analysis demonstrated that rhenium addition of up to 30 at.% can reduce the excess reactivity due to water submersion by up to $5.07 for UO2 fueled cylinders, $3.87 for UO2 fueled spheres and approximately $3.00 for UN fueled spheres and cylinders.« less

The influence of particle shape on dielectric enhancement in metal-insulator composites

NASA Astrophysics Data System (ADS)

Doyle, W. T.; Jacobs, I. S.

1992-04-01

Disordered suspensions of conducting particles exhibit substantial permittivity enhancements beyond the predictions of the Clausius-Mossotti equation and other purely dipolar approximations. The magnitude of the enhancement depends upon the shape of the particles. A recently developed effective cluster model for spherical particles [Phys. Rev. B 42, 9319 (1990)] that treats a disordered suspension as a mixture, or mesosuspension, of isolated spheres and close-packed spherical clusters of arbitrary size is in excellent agreement with experiments on well-stirred suspensions of spheres over the entire accessible range of volume loading. In this paper, the effective cluster model is extended to be applicable to disordered suspensions of arbitrarily shaped conducting particles. Two physical parameters are used to characterize a general suspension: the angular average polarizability of an isolated particle, and the volume loading at closest packing of the suspension. Multipole interactions within the clusters are treated exactly. External particle-shape-dependent interactions between clusters and isolated particles are treated in the dipole approximation in two ways: explicitly, using the Clausius-Mossotti equation, and implicitly, using the Wiener equation. Both versions of the model are used to find the permittivity of a monodisperse suspension of conducting spheroids, for which the model parameters can be determined independently. The two versions are in good agreement when the axial ratio of the particles is not extreme. The Clausius-Mossotti version of the model yields a mesoscopic analogue of the dielectric virial expansion. It is limited to small volume loadings when the particles have an extremely nonspherical shape. The Wiener equation version of the model holds at all volume loadings for particles of arbitrary shape. Comparison of the two versions of the model leads to a simple physical interpretation of Wiener's equation. The models are compared with experiments of Kelly, Stenoien, and Isbell [J. Appl. Phys. 24, 258 (1953)] on aluminum and zinc particles in paraffin, with Nasuhoglu's experiments on iron particles in oil [Commun. Fac. Sci. Univ. Ankara 4, 108 (1952)], and with new X-band and Kα-band permittivity measurements on Ni-Cr alloy particles in a polyurethane binder.

Simple relationship between the virial-route hypernetted-chain and the compressibility-route Percus-Yevick values of the fourth virial coefficient.

PubMed

Santos, Andrés; Manzano, Gema

2010-04-14

As is well known, approximate integral equations for liquids, such as the hypernetted chain (HNC) and Percus-Yevick (PY) theories, are in general thermodynamically inconsistent in the sense that the macroscopic properties obtained from the spatial correlation functions depend on the route followed. In particular, the values of the fourth virial coefficient B(4) predicted by the HNC and PY approximations via the virial route differ from those obtained via the compressibility route. Despite this, it is shown in this paper that the value of B(4) obtained from the virial route in the HNC theory is exactly three halves the value obtained from the compressibility route in the PY theory, irrespective of the interaction potential (whether isotropic or not), the number of components, and the dimensionality of the system. This simple relationship is confirmed in one-component systems by analytical results for the one-dimensional penetrable-square-well model and the three-dimensional penetrable-sphere model, as well as by numerical results for the one-dimensional Lennard-Jones model, the one-dimensional Gaussian core model, and the three-dimensional square-well model.

Experimental determination of the dynamics of an acoustically levitated sphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pérez, Nicolás, E-mail: nico@fisica.edu.uy; Andrade, Marco A. B.; Canetti, Rafael

2014-11-14

Levitation of solids and liquids by ultrasonic standing waves is a promising technique to manipulate materials without contact. When a small particle is introduced in certain areas of a standing wave field, the acoustic radiation force pushes the particle to the pressure node. This movement is followed by oscillations of the levitated particle. Aiming to investigate the particle oscillations in acoustic levitation, this paper presents the experimental and numerical characterization of the dynamic behavior of a levitated sphere. To obtain the experimental response, a small sphere is lifted by the acoustic radiation force. After the sphere lift, it presents amore » damped oscillatory behavior, which is recorded by a high speed camera. To model this behavior, a mass-spring-damper system is proposed. In this model, the acoustic radiation force that acts on the sphere is theoretically predicted by the Gor'kov theory and the viscous forces are modeled by two damping terms, one term proportional to the square of the velocity and another term proportional to the particle velocity. The proposed model was experimentally verified by using different values of sound pressure amplitude. The comparison between numerical and experimental results shows that the model can accurately describe the oscillatory behavior of the sphere in an acoustic levitator.« less

Experimental determination of the dynamics of an acoustically levitated sphere

NASA Astrophysics Data System (ADS)

Pérez, Nicolás; Andrade, Marco A. B.; Canetti, Rafael; Adamowski, Julio C.

2014-11-01

Levitation of solids and liquids by ultrasonic standing waves is a promising technique to manipulate materials without contact. When a small particle is introduced in certain areas of a standing wave field, the acoustic radiation force pushes the particle to the pressure node. This movement is followed by oscillations of the levitated particle. Aiming to investigate the particle oscillations in acoustic levitation, this paper presents the experimental and numerical characterization of the dynamic behavior of a levitated sphere. To obtain the experimental response, a small sphere is lifted by the acoustic radiation force. After the sphere lift, it presents a damped oscillatory behavior, which is recorded by a high speed camera. To model this behavior, a mass-spring-damper system is proposed. In this model, the acoustic radiation force that acts on the sphere is theoretically predicted by the Gor'kov theory and the viscous forces are modeled by two damping terms, one term proportional to the square of the velocity and another term proportional to the particle velocity. The proposed model was experimentally verified by using different values of sound pressure amplitude. The comparison between numerical and experimental results shows that the model can accurately describe the oscillatory behavior of the sphere in an acoustic levitator.

Clinician accessible tools for GUI computational models of transcranial electrical stimulation: BONSAI and SPHERES.

PubMed

Truong, Dennis Q; Hüber, Mathias; Xie, Xihe; Datta, Abhishek; Rahman, Asif; Parra, Lucas C; Dmochowski, Jacek P; Bikson, Marom

2014-01-01

Computational models of brain current flow during transcranial electrical stimulation (tES), including transcranial direct current stimulation (tDCS) and transcranial alternating current stimulation (tACS), are increasingly used to understand and optimize clinical trials. We propose that broad dissemination requires a simple graphical user interface (GUI) software that allows users to explore and design montages in real-time, based on their own clinical/experimental experience and objectives. We introduce two complimentary open-source platforms for this purpose: BONSAI and SPHERES. BONSAI is a web (cloud) based application (available at neuralengr.com/bonsai) that can be accessed through any flash-supported browser interface. SPHERES (available at neuralengr.com/spheres) is a stand-alone GUI application that allow consideration of arbitrary montages on a concentric sphere model by leveraging an analytical solution. These open-source tES modeling platforms are designed go be upgraded and enhanced. Trade-offs between open-access approaches that balance ease of access, speed, and flexibility are discussed. Copyright © 2014 Elsevier Inc. All rights reserved.

Acoustical tweezers using single spherically focused piston, X-cut, and Gaussian beams.

PubMed

Mitri, Farid G

2015-10-01

Partial-wave series expansions (PWSEs) satisfying the Helmholtz equation in spherical coordinates are derived for circular spherically focused piston (i.e., apodized by a uniform velocity amplitude normal to its surface), X-cut (i.e., apodized by a velocity amplitude parallel to the axis of wave propagation), and Gaussian (i.e., apodized by a Gaussian distribution of the velocity amplitude) beams. The Rayleigh-Sommerfeld diffraction integral and the addition theorems for the Legendre and spherical wave functions are used to obtain the PWSEs assuming weakly focused beams (with focusing angle α ⩽ 20°) in the Fresnel-Kirchhoff (parabolic) approximation. In contrast with previous analytical models, the derived expressions allow computing the scattering and acoustic radiation force from a sphere of radius a without restriction to either the Rayleigh (a ≪ λ, where λ is the wavelength of the incident radiation) or the ray acoustics (a ≫λ) regimes. The analytical formulations are valid for wavelengths largely exceeding the radius of the focused acoustic radiator, when the viscosity of the surrounding fluid can be neglected, and when the sphere is translated along the axis of wave propagation. Computational results illustrate the analysis with particular emphasis on the sphere's elastic properties and the axial distance to the center of the concave surface, with close connection of the emergence of negative trapping forces. Potential applications are in single-beam acoustical tweezers, acoustic levitation, and particle manipulation.

Speeding up spin-component-scaled third-order pertubation theory with the chain of spheres approximation: the COSX-SCS-MP3 method

NASA Astrophysics Data System (ADS)

Izsák, Róbert; Neese, Frank

2013-07-01

The 'chain of spheres' approximation, developed earlier for the efficient evaluation of the self-consistent field exchange term, is introduced here into the evaluation of the external exchange term of higher order correlation methods. Its performance is studied in the specific case of the spin-component-scaled third-order Møller--Plesset perturbation (SCS-MP3) theory. The results indicate that the approximation performs excellently in terms of both computer time and achievable accuracy. Significant speedups over a conventional method are obtained for larger systems and basis sets. Owing to this development, SCS-MP3 calculations on molecules of the size of penicillin (42 atoms) with a polarised triple-zeta basis set can be performed in ∼3 hours using 16 cores of an Intel Xeon E7-8837 processor with a 2.67 GHz clock speed, which represents a speedup by a factor of 8-9 compared to the previously most efficient algorithm. Thus, the increased accuracy offered by SCS-MP3 can now be explored for at least medium-sized molecules.

A classical density functional theory for the asymmetric restricted primitive model of ionic liquids

NASA Astrophysics Data System (ADS)

Lu, Hongduo; Nordholm, Sture; Woodward, Clifford E.; Forsman, Jan

2018-05-01

A new three-parameter (valency, ion size, and charge asymmetry) model, the asymmetric restricted primitive model (ARPM) of ionic liquids, has recently been proposed. Given that ionic liquids generally are composed of monovalent species, the ARPM effectively reduces to a two-parameter model. Monte Carlo (MC) simulations have demonstrated that the ARPM is able to reproduce key properties of room temperature ionic liquids (RTILs) in bulk and at charged surfaces. The relatively modest complexity of the model raises the possibility, which is explored here, that a classical density functional theory (DFT) could resolve its properties. This is relevant because it might generate great improvements in terms of both numerical efficiency and understanding in the continued research of RTILs and their applications. In this report, a DFT for rod-like molecules is proposed as an approximate theoretical tool for an ARPM fluid. Borrowing data on the ion pair fraction from a single bulk simulation, the ARPM is modelled as a mixture of dissociated ions and connected ion pairs. We have specifically studied an ARPM where the hard-sphere diameter is 5 Å, with the charge located 1 Å from the hard-sphere centre. We focus on fluid structure and electrochemical behaviour of this ARPM fluid, into which a model electrode is immersed. The latter is modelled as a perfect conductor, and surface polarization is handled by the method of image charges. Approximate methods, which were developed in an earlier study, to take image interactions into account, are also incorporated in the DFT. We make direct numerical comparisons between DFT predictions and corresponding simulation data. The DFT theory is implemented both in the normal mean field form with respect to the electrostatic interactions and in a correlated form based on hole formation by both steric repulsions and ion-ion Coulomb interactions. The results clearly show that ion-ion correlations play a very important role in the screening of the charged surfaces by our ARPM ionic liquid. We have studied electrostatic potentials and ion density profiles as well the differential capacitance. The mean-field DFT fails to reproduce these properties, but the inclusion of ion-ion correlation by a simple approximate treatment yields quite reasonable agreement with the corresponding simulation results. An interesting finding is that there appears to be a surface phase transition at relatively low surface charge which is readily explored by DFT, but seen also in the MC simulations at somewhat higher asymmetry.

3D Space Radiation Transport in a Shielded ICRU Tissue Sphere

NASA Technical Reports Server (NTRS)

Wilson, John W.; Slaba, Tony C.; Badavi, Francis F.; Reddell, Brandon D.; Bahadori, Amir A.

2014-01-01

A computationally efficient 3DHZETRN code capable of simulating High Charge (Z) and Energy (HZE) and light ions (including neutrons) under space-like boundary conditions with enhanced neutron and light ion propagation was recently developed for a simple homogeneous shield object. Monte Carlo benchmarks were used to verify the methodology in slab and spherical geometry, and the 3D corrections were shown to provide significant improvement over the straight-ahead approximation in some cases. In the present report, the new algorithms with well-defined convergence criteria are extended to inhomogeneous media within a shielded tissue slab and a shielded tissue sphere and tested against Monte Carlo simulation to verify the solution methods. The 3D corrections are again found to more accurately describe the neutron and light ion fluence spectra as compared to the straight-ahead approximation. These computationally efficient methods provide a basis for software capable of space shield analysis and optimization.

Acoustical radiation torque and force for spheres and Bessel beam extinction efficiency

NASA Astrophysics Data System (ADS)

Marston, Philip L.; Zhang, Likun

2014-11-01

The scattering of optical and acoustical beams is relevant to the levitation and manipulation of drops. Here we examine theoretical developments in the acoustical case. We previously showed how the optical theorem for extinction can be extended to invariant beams. The example of a sphere in a Bessel beam facilitates the direct comparison with a circular disc computed using Babinet's principle and the Kirchhoff approximation. In related work, by considering traveling or standing wave first-order vortex beams we previously showed that the radiation torque is the ratio of the absorbed power and the radian acoustic frequency. By modifying the scattering to account for the viscosity of the surrounding fluid in the analysis of the absorbed power, approximations for radiation torque and force are obtained at long wavelengths in special cases and these can be compared with results published elsewhere.

Human Prostate Sphere-Forming Cells Represent a Subset of Basal Epithelial Cells Capable of Glandular Regeneration in Vivo

PubMed Central

Garraway, Isla P; Sun, Wenyi; Tran, Chau P; Perner, Sven; Zhang, Bao; Goldstein, Andrew S; Hahm, Scott A; Haider, Maahum; Head, Christian S; Reiter, Robert E; Rubin, Mark A; Witte, Owen N

2010-01-01

BACKGROUND Prostate stem/progenitor cells function in glandular development and maintenance. They may be targets for tumor initiation, so characterization of these cells may have therapeutic implications. Cells from dissociated tissues that form spheres in vitro often represent stem/progenitor cells. A subset of human prostate cells that form prostaspheres were evaluated for self-renewal and tissue regeneration capability in the present study. METHODS Prostaspheres were generated from 59 prostatectomy specimens. Lineage marker expression and TMPRSS-ERG status was determined via immunohistochemistry and fluorescence in situ hybridization (FISH). Subpopulations of prostate epithelial cells were isolated by cell sorting and interrogated for sphere-forming activity. Tissue regeneration potential was assessed by combining sphere-forming cells with rat urogenital sinus mesenchyme (rUGSM) subcutaneously in immunocompromised mice. RESULTS Prostate tissue specimens were heterogeneous, containing both benign and malignant (Gleason 3–5) glands. TMPRSS-ERG fusion was found in approximately 70% of cancers examined. Prostaspheres developed from single cells at a variable rate (0.5–4%) and could be serially passaged. A basal phenotype (CD44+CD49f+CK5+p63+CK8−AR−PSA−) was observed among sphere-forming cells. Subpopulations of prostate cells expressing tumor-associated calcium signal transducer 2 (Trop2), CD44, and CD49f preferentially formed spheres. In vivo implantation of sphere-forming cells and rUGSM regenerated tubular structures containing discreet basal and luminal layers. The TMPRSS-ERG fusion was absent in prostaspheres derived from fusion-positive tumor tissue, suggesting a survival/growth advantage of benign prostate epithelial cells. CONCLUSION Human prostate sphere-forming cells self-renew, have tissue regeneration capability, and represent a subpopulation of basal cells. Prostate 70: 491–501, 2010. © 2009 Wiley-Liss, Inc. PMID:19938015

A discrete fibre dispersion method for excluding fibres under compression in the modelling of fibrous tissues.

PubMed

Li, Kewei; Ogden, Ray W; Holzapfel, Gerhard A

2018-01-01

Recently, micro-sphere-based methods derived from the angular integration approach have been used for excluding fibres under compression in the modelling of soft biological tissues. However, recent studies have revealed that many of the widely used numerical integration schemes over the unit sphere are inaccurate for large deformation problems even without excluding fibres under compression. Thus, in this study, we propose a discrete fibre dispersion model based on a systematic method for discretizing a unit hemisphere into a finite number of elementary areas, such as spherical triangles. Over each elementary area, we define a representative fibre direction and a discrete fibre density. Then, the strain energy of all the fibres distributed over each elementary area is approximated based on the deformation of the representative fibre direction weighted by the corresponding discrete fibre density. A summation of fibre contributions over all elementary areas then yields the resultant fibre strain energy. This treatment allows us to exclude fibres under compression in a discrete manner by evaluating the tension-compression status of the representative fibre directions only. We have implemented this model in a finite-element programme and illustrate it with three representative examples, including simple tension and simple shear of a unit cube, and non-homogeneous uniaxial extension of a rectangular strip. The results of all three examples are consistent and accurate compared with the previously developed continuous fibre dispersion model, and that is achieved with a substantial reduction of computational cost. © 2018 The Author(s).

Experimental study of the oscillation of spheres in an acoustic levitator.

PubMed

Andrade, Marco A B; Pérez, Nicolás; Adamowski, Julio C

2014-10-01

The spontaneous oscillation of solid spheres in a single-axis acoustic levitator is experimentally investigated by using a high speed camera to record the position of the levitated sphere as a function of time. The oscillations in the axial and radial directions are systematically studied by changing the sphere density and the acoustic pressure amplitude. In order to interpret the experimental results, a simple model based on a spring-mass system is applied in the analysis of the sphere oscillatory behavior. This model requires the knowledge of the acoustic pressure distribution, which was obtained numerically by using a linear finite element method (FEM). Additionally, the linear acoustic pressure distribution obtained by FEM was compared with that measured with a laser Doppler vibrometer. The comparison between numerical and experimental pressure distributions shows good agreement for low values of pressure amplitude. When the pressure amplitude is increased, the acoustic pressure distribution becomes nonlinear, producing harmonics of the fundamental frequency. The experimental results of the spheres oscillations for low pressure amplitudes are consistent with the results predicted by the simple model based on a spring-mass system.

Molecular dynamics computer simulation of permeation in solids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pohl, P.I.; Heffelfinger, G.S.; Fisler, D.K.

1997-12-31

In this work the authors simulate permeation of gases and cations in solid models using molecular mechanics and a dual control volume grand canonical molecular dynamics technique. The molecular sieving nature of microporous zeolites are discussed and compared with that for amorphous silica made by sol-gel methods. One mesoporous and one microporous membrane model are tested with Lennard-Jones gases corresponding to He, H{sub 2}, Ar and CH{sub 4}. The mesoporous membrane model clearly follows a Knudsen diffusion mechanism, while the microporous model having a hard-sphere cutoff pore diameter of {approximately}3.4 {angstrom} demonstrates molecular sieving of the methane ({sigma} = 3.8more » {angstrom}) but anomalous behavior for Ar ({sigma} = 3.4 {angstrom}). Preliminary results of Ca{sup +} diffusion in calcite and He/H{sub 2} diffusion in polyisobutylene are also presented.« less

METHOD AND APPARATUS FOR DETERMINING CHARGED PARTICLE MOTION

DOEpatents

Kerns, Q.A.

1959-08-01

An analog system for determining the motion of charged particles in three dimensional electrical fields is described. A model electrode structure is formed and potentials are applied to the electrodes to provide an analog of the field which is to be studied. To simulate charged particles within the model, conducting spheres are placed at points from which particle motion is to be traced. To free the spheres from gravitational attraction in order that they will be electrostatically accelerated through the model, the apparatus is suspended and dropped. During the pericd that the model is dropping the spheres move through the electrcde structure with a motion corresponding to that of particles in the real system. The model is photographed in the course of falling so that the instantaneous position of the spheres within the simulated field at selected times may be observed and measured. The device thus gives data of particles in the real system. The model is photographed in the course of falling so that the instantaneous position of the spheres within the simulated field at selected times may be observed and measured. The device thus gives data which frequently can otherwise be obtained only with a digital computer.

Polydisperse sphere packing in high dimensions, a search for an upper critical dimension

NASA Astrophysics Data System (ADS)

Morse, Peter; Clusel, Maxime; Corwin, Eric

2012-02-01

The recently introduced granocentric model for polydisperse sphere packings has been shown to be in good agreement with experimental and simulational data in two and three dimensions. This model relies on two effective parameters that have to be estimated from experimental/simulational results. The non-trivial values obtained allow the model to take into account the essential effects of correlations in the packing. Once these parameters are set, the model provides a full statistical description of a sphere packing for a given polydispersity. We investigate the evolution of these effective parameters with the spatial dimension to see if, in analogy with the upper critical dimension in critical phenomena, there exists a dimension above which correlations become irrelevant and the model parameters can be fixed a priori as a function of polydispersity. This would turn the model into a proper theory of polydisperse sphere packings at that upper critical dimension. We perform infinite temperature quench simulations of frictionless polydisperse sphere packings in dimensions 2-8 using a parallel algorithm implemented on a GPGPU. We analyze the resulting packings by implementing an algorithm to calculate the additively weighted Voronoi diagram in arbitrary dimension.

Modeling of light scattering by icy bodies

NASA Astrophysics Data System (ADS)

Kolokolova, L.; Mackowski, D.; Pitman, K.; Verbiscer, A.; Buratti, B.; Momary, T.

2014-07-01

As a result of ground-based, space-based, and in-situ spacecraft mission observations, a great amount of photometric, polarimetric, and spectroscopic data of icy bodies (satellites of giant planets, Kuiper Belt objects, comet nuclei, and icy particles in cometary comae and rings) has been accumulated. These data have revealed fascinating light-scattering phenomena, such as the opposition surge resulting from coherent backscattering and shadow hiding and the negative polarization associated with them. Near-infrared (NIR) spectra of these bodies are especially informative as the depth, width, and shape of the absorption bands of ice are sensitive not only to the ice abundance but also to the size of icy grains. Numerous NIR spectra obtained by Cassini's Visual and Infrared Mapping Spectrometer (VIMS) have been used to map the microcharacteristics of the icy satellites [1] and rings of Saturn [2]. VIMS data have also permitted a study of the opposition surge for icy satellites of Saturn [3], showing that coherent backscattering affects not only brightness and polarization of icy bodies but also their spectra [4]. To study all of the light-scattering phenomena that affect the photopolarimetric and spectroscopic characteristics of icy bodies, including coherent backscattering, requires computer modeling that rigorously considers light scattering by a large number of densely packed small particles that form either layers (in the case of regolith) or big clusters (ring and comet particles) . Such opportunity has appeared recently with a development of a new version MSTM4 of the Multi-Sphere T-Matrix code [5]. Simulations of reflectance and absorbance spectra of a ''target'' (particle layer or cluster) require that the dimensions of the target be significantly larger than the wavelength, sphere radius, and layer thickness. For wavelength-sized spheres and packing fractions typical of regolith, targets can contain dozens of thousands of spheres that, with the original MSTM code, would require enormous computer RAM and CPU. MSTM4 adopts a discrete Fourier convolution (DFC), implemented using a fast Fourier transform (FFT), for the evaluation of the exciting field. This approach is very similar to that used in the discrete-dipole approximation (DDA) codes, with the difference that it considers multipole nature of the translation operators, and does not require that the sphere origins be located on a regular lattice. The MSTM4 code not only allows us to consider a larger number of constituent particles but also is about 100 times faster in wall-clock time than the original version of the MSTM code. Example of MSTM4 modeling is shown in the Figure.

Solutions for the conductivity of multi-coated spheres and spherically symmetric inclusion problems

NASA Astrophysics Data System (ADS)

Pham, Duc Chinh

2018-02-01

Variational results on the macroscopic conductivity (thermal, electrical, etc.) of the multi-coated sphere assemblage have been used to derive the explicit expression of the respective field (thermal, electrical, etc.) within the spheres in d dimensions (d=2,3). A differential substitution approach has been developed to construct various explicit expressions or determining equations for the effective spherically symmetric inclusion problems, which include those with radially variable conductivity, different radially variable transverse and normal conductivities, and those involving imperfect interfaces, in d dimensions. When the volume proportion of the outermost spherical shell increases toward 1, one obtains the respective exact results for the most important specific cases: the dilute solutions for the compound inhomogeneities suspended in a major matrix phase. Those dilute solution results are also needed for other effective medium approximation schemes.

Phononic crystals of spherical particles: A tight binding approach

NASA Astrophysics Data System (ADS)

Mattarelli, M.; Secchi, M.; Montagna, M.

2013-11-01

The vibrational dynamics of a fcc phononic crystal of spheres is studied and compared with that of a single free sphere, modelled either by a continuous homogeneous medium or by a finite cluster of atoms. For weak interaction among the spheres, the vibrational dynamics of the phononic crystal is described by shallow bands, with low degree of dispersion, corresponding to the acoustic spheroidal and torsional modes of the single sphere. The phonon displacements are therefore related to the vibrations of a sphere, as the electron wave functions in a crystal are related to the atomic wave functions in a tight binding model. Important dispersion is found for the two lowest phonon bands, which correspond to zero frequency free translation and rotation of a free sphere. Brillouin scattering spectra are calculated at some values of the exchanged wavevectors of the light, and compared with those of a single sphere. With weak interaction between particles, given the high acoustic impedance mismatch in dry systems, the density of phonon states consist of sharp bands separated by large gaps, which can be well accounted for by a single particle model. Based on the width of the frequency gaps, tunable with the particle size, and on the small number of dispersive acoustic phonons, such systems may provide excellent materials for application as sound or heat filters.

Periodic homogenization and consistent estimates of transport parameters through sphere and polyhedron packings in the whole porosity range.

PubMed

Boutin, Claude; Geindreau, Christian

2010-09-01

This paper presents a study of transport parameters (diffusion, dynamic permeability, thermal permeability, trapping constant) of porous media by combining the homogenization of periodic media (HPM) and the self-consistent scheme (SCM) based on a bicomposite spherical pattern. The link between the HPM and SCM approaches is first established by using a systematic argument independent of the problem under consideration. It is shown that the periodicity condition can be replaced by zero flux and energy through the whole surface of the representative elementary volume. Consequently the SCM solution can be considered as a geometrical approximation of the local problem derived through HPM for materials such that the morphology of the period is "close" to the SCM pattern. These results are then applied to derive the estimates of the effective diffusion, the dynamic permeability, the thermal permeability and the trapping constant of porous media. These SCM estimates are compared with numerical HPM results obtained on periodic arrays of spheres and polyhedrons. It is shown that SCM estimates provide good analytical approximations of the effective parameters for periodic packings of spheres at porosities larger than 0.6, while the agreement is excellent for periodic packings of polyhedrons in the whole range of porosity.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Joseph Berkmans, A.; Jagannatham, M.; Priyanka, S.

Highlights: • Polymer wastes are converted into ultrafine and nano carbon tubes and spheres. • Simple process with a minimal processing time. • It is a catalyst free and solvent free approach. • This process forms branched ultrafine carbon tubules with nano channels. - Abstract: Upcycling polymer wastes into useful, and valuable carbon based materials, is a challenging process. We report a novel catalyst-free and solvent-free technique for the formation of nano channeled ultrafine carbon tubes (NCUFCTs) and multiwalled carbon nanotubes (MWCNTs) from polyethylene terephthalate (PET) wastes, using rotating cathode arc discharge technique. The soot obtain from the anode containsmore » ultrafine and nano-sized solid carbon spheres (SCS) with a mean diameter of 221 nm and 100 nm, respectively, formed at the lower temperature region of the anode where the temperature is approximately 1700 °C. The carbon spheres are converted into long “Y” type branched and non-branched NCUFCTs and MWCNTs at higher temperature regions where the temperature is approximately 2600 °C, with mean diameters of 364 nm and 95 nm, respectively. Soot deposited on the cathode is composed of MWCNTs with a mean diameter of 20 nm and other nanoparticles. The tubular structures present in the anode are longer, bent and often coiled with lesser graphitization compared to the nanotubes in the soot on the cathode.« less

A differential equation for the Generalized Born radii.

PubMed

Fogolari, Federico; Corazza, Alessandra; Esposito, Gennaro

2013-06-28

The Generalized Born (GB) model offers a convenient way of representing electrostatics in complex macromolecules like proteins or nucleic acids. The computation of atomic GB radii is currently performed by different non-local approaches involving volume or surface integrals. Here we obtain a non-linear second-order partial differential equation for the Generalized Born radius, which may be solved using local iterative algorithms. The equation is derived under the assumption that the usual GB approximation to the reaction field obeys Laplace's equation. The equation admits as particular solutions the correct GB radii for the sphere and the plane. The tests performed on a set of 55 different proteins show an overall agreement with other reference GB models and "perfect" Poisson-Boltzmann based values.

The synchrotron-self-Compton process in spherical geometries. I - Theoretical framework

NASA Technical Reports Server (NTRS)

Band, D. L.; Grindlay, J. E.

1985-01-01

Both spatial and spectral accuracies are stressed in the present method for the calculation of the synchrotron-self-Compton model in spherical geometries, especially in the partially opaque regime of the synchrotron spectrum of inhomogeneous sources that can span a few frequency decades and contribute a significant portion of the scattered flux. A formalism is developed that permits accurate calculation of incident photon density throughout an optically thin sphere. An approximation to the Klein-Nishina cross section is used to model the effects of variable electron and incident photon cutoffs, as well as the decrease in the cross section at high energies. General results are derived for the case of inhomogeneous sources with power law profiles in both electron density and magnetic field.

Dynamically Consistent Shallow-Atmosphere Equations with a Complete Coriolis force

NASA Astrophysics Data System (ADS)

Tort, Marine; Dubos, Thomas; Bouchut, François; Zeitlin, Vladimir

2014-05-01

Dynamically Consistent Shallow-Atmosphere Equations with a Complete Coriolis force Marine Tort1, Thomas Dubos1, François Bouchut2 & Vladimir Zeitlin1,3 1 Laboratoire of Dynamical Meteorology, Univ. P. and M. Curie, Ecole Normale Supérieure, and Ecole Polytechnique, FRANCE 2 Université Paris-Est, Laboratoire d'Analyse et de Mathématiques Appliquées, FRANCE 3 Institut Universitaire de France Atmospheric and oceanic motion are usually modeled within the shallow-fluid approximation, which simplifies the 3D spherical geometry. For dynamical consistency, i.e. to ensure conservation laws for potential vorticity, energy and angular momentum, the horizontal component of the Coriolis force is neglected. Here new equation sets combining consistently a simplified shallow-fluid geometry with a complete Coriolis force is presented. The derivation invokes Hamilton's principle of least action with an approximate Lagrangian capturing the small increase with height of the solid-body entrainment velocity due to planetary rotation. A three-dimensional compressible model and a one-layer shallow-water model are obtained. The latter extends previous work done on the f-plane and β-plane. Preliminary numerical results confirm the accuracy of the 3D model within the range of parameters for which the equations are relevant. These new models could be useful to incorporate a full Coriolis force into existing numerical models and to disentangle the effects of the shallow-atmosphere approximation from those of the traditional approximation. Related papers: Tort M., Dubos T., Bouchut F. and Zeitlin V. Consistent shallow-water equations on the rotating sphere with complete Coriolis force and topography. J. Fluid Mech. (under revisions) Tort M. and Dubos T. Dynamically consistent shallow-atmosphere equations with a complete Coriolis force. Q.J.R. Meteorol. Soc. (DOI: 10.1002/qj.2274)

The Discrepancy between Einstein Mass and Dynamical Mass for SIS and Power-law Mass Models

NASA Astrophysics Data System (ADS)

Li, Rui; Wang, Jiancheng; Shu, Yiping; Xu, Zhaoyi

2018-03-01

We investigate the discrepancy between the two-dimensional projected lensing mass and the dynamical mass for an ensemble of 97 strong gravitational lensing systems discovered by the Sloan Lens ACS Survey, the BOSS Emission-Line Lens Survey (BELLS), and the BELLS for GALaxy-Lyα EmitteR sYstems Survey. We fit the lensing data to obtain the Einstein mass and use the velocity dispersion of the lensing galaxies provided by the Sloan Digital Sky Survey to get the projected dynamical mass within the Einstein radius by assuming the power-law mass approximation. The discrepancy is found to be obvious and quantified by Bayesian analysis. For the singular isothermal sphere mass model, we obtain that the Einstein mass is 20.7% more than the dynamical mass, and the discrepancy increases with the redshift of the lensing galaxies. For the more general power-law mass model, the discrepancy still exists within a 1σ credible region. We suspect the main reason for this discrepancy is mass contamination, including all invisible masses along the line of sight. In addition, the measurement errors and the approximation of the mass models could also contribute to the discrepancy.

Diffusiophoretic self-propulsion for partially catalytic spherical colloids.

PubMed

de Graaf, Joost; Rempfer, Georg; Holm, Christian

2015-04-01

Colloidal spheres with a partial platinum surface coating perform autophoretic motion when suspended in hydrogen peroxide solution. We present a theoretical analysis of the self-propulsion velocity of these particles using a continuum multi-component, self-diffusiophoretic model. With this model as a basis, we show how the slip-layer approximation can be derived and in which limits it holds. First, we consider the differences between the full multi-component model and the slip-layer approximation. Then the slip model is used to demonstrate and explore the sensitive nature of the particle's velocity on the details of the molecule-surface interaction. We find a strong asymmetry in the dependence of the colloid's velocity as a function of the level of catalytic coating, when there is a different interaction between the solute and solvent molecules and the inert and catalytic part of the colloid, respectively. The direction of motion can even be reversed by varying the level of the catalytic coating. Finally, we investigate the robustness of these results with respect to variations in the reaction rate near the edge between the catalytic and inert parts of the particle. Our results are of significant interest to the interpretation of experimental results on the motion of self-propelled particles.

The Backscattering Phase Function for a Sphere with a Two-Scale Relief of Rough Surface

NASA Astrophysics Data System (ADS)

Klass, E. V.

2017-12-01

The backscattering of light from spherical surfaces characterized by one and two-scale roughness reliefs has been investigated. The analysis is performed using the three-dimensional Monte-Carlo program POKS-RG (geometrical-optics approximation), which makes it possible to take into account the roughness of objects under study by introducing local geometries of different levels. The geometric module of the program is aimed at describing objects by equations of second-order surfaces. One-scale roughness is set as an ensemble of geometric figures (convex or concave halves of ellipsoids or cones). The two-scale roughness is modeled by convex halves of ellipsoids, with surface containing ellipsoidal pores. It is shown that a spherical surface with one-scale convex inhomogeneities has a flatter backscattering phase function than a surface with concave inhomogeneities (pores). For a sphere with two-scale roughness, the dependence of the backscattering intensity is found to be determined mostly by the lower-level inhomogeneities. The influence of roughness on the dependence of the backscattering from different spatial regions of spherical surface is analyzed.

Effective conductivity of suspensions of hard spheres by Brownian motion simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chan Kim, I.; Torquato, S.

1991-02-15

A generalized Brownian motion simulation technique developed by Kim and Torquato (J. Appl. Phys. {bold 68}, 3892 (1990)) is applied to compute exactly'' the effective conductivity {sigma}{sub {ital e}} of heterogeneous media composed of regular and random distributions of hard spheres of conductivity {sigma}{sub 2} in a matrix of conductivity {sigma}{sub 1} for virtually the entire volume fraction range and for several values of the conductivity ratio {alpha}={sigma}{sub 2}/{sigma}{sub 1}, including superconducting spheres ({alpha}={infinity}) and perfectly insulating spheres ({alpha}=0). A key feature of the procedure is the use of {ital first}-{ital passage}-{ital time} equations in the two homogeneous phases andmore » at the two-phase interface. The method is shown to yield {sigma}{sub {ital e}} accurately with a comparatively fast execution time. The microstructure-sensitive analytical approximation of {sigma}{sub {ital e}} for dispersions derived by Torquato (J. Appl. Phys. {bold 58}, 3790 (1985)) is shown to be in excellent agreement with our data for random suspensions for the wide range of conditions reported here.« less

Integrating spheres for improved skin photodynamic therapy

NASA Astrophysics Data System (ADS)

Glennie, Diana L.; Farrell, Thomas J.; Hayward, Joseph E.; Patterson, Michael S.

2010-09-01

The prescribed radiant exposures for photodynamic therapy (PDT) of superficial skin cancers are chosen empirically to maximize the success of the treatment while minimizing adverse reactions for the majority of patients. They do not take into account the wide range of tissue optical properties for human skin, contributing to relatively low treatment success rates. Additionally, treatment times can be unnecessarily long for large treatment areas if the laser power is not sufficient. Both of these concerns can be addressed by the incorporation of an integrating sphere into the irradiation apparatus. The light fluence rate can be increased by as much as 100%, depending on the tissue optical properties. This improvement can be determined in advance of treatment by measuring the reflectance from the tissue through a side port on the integrating sphere, allowing for patient-specific treatment times. The sphere is also effective at improving beam flatness, and reducing the penumbra, creating a more uniform light field. The side port reflectance measurements are also related to the tissue transport albedo, enabling an approximation of the penetration depth, which is useful for real-time light dosimetry.

Tuning the phase diagram of colloid-polymer mixtures via Yukawa interactions

NASA Astrophysics Data System (ADS)

González García, Álvaro; Tuinier, Remco

2016-12-01

Theory that predicts the phase behavior of interacting Yukawa spheres in a solution containing nonadsorbing polymer is presented. Our approach accounts for multiple overlap of depletion zones. It is found that additional Yukawa interactions beyond hard core interactions strongly affect the location and presence of coexistence regions and phase states. The theoretical phase diagrams are compared with Monte Carlo simulations. The agreement between the two approaches supports the validity of the theoretical approximations made and confirms that, by choosing the parameters of the interaction potentials, tuning of the binodals is possible. The critical end point characterizes the phase diagram topology. It is demonstrated how an additional Yukawa interaction shifts this point with respect to the hard sphere case. Provided a certain depletant-to-colloid size ratio for which a stable colloidal gas-liquid phase coexistence takes place for hard spheres, added direct interactions turn this into a metastable gas-liquid equilibrium. The opposite case, the induction of a stable gas-liquid coexistence where only fluid-solid was present for hard spheres, is also reported.

The single-scattering properties of black carbon aggregates determined from the geometric-optics surface-wave approach and the T-matrix method

NASA Astrophysics Data System (ADS)

Takano, Y.; Liou, K. N.; Kahnert, M.; Yang, P.

2013-08-01

The single-scattering properties of eight black carbon (BC, soot) fractal aggregates, composed of primary spheres from 7 to 600, computed by the geometric-optics surface-wave (GOS) approach coupled with the Rayleigh-Gans-Debye (RGD) adjustment for size parameters smaller than approximately 2, are compared with those determined from the superposition T-matrix method. We show that under the condition of random orientation, the results from GOS/RGD are in general agreement with those from T-matrix in terms of the extinction and absorption cross-sections, the single-scattering co-albedo, and the asymmetry factor. When compared with the specific absorption (m2/g) measured in the laboratory, we illustrate that using the observed radii of primary spheres ranging from 3.3 to 25 nm, the theoretical values determined from GOS/RGD for primary sphere numbers of 100-600 are within the range of measured values. The GOS approach can be effectively applied to aggregates composed of a large number of primary spheres (e.g., >6000) and large size parameters (≫2) in terms of computational efforts.

Test of simple fluid theories for the Lennard-Jones system

NASA Astrophysics Data System (ADS)

Malijevský, A.; Labik, S.

1988-03-01

A test is made of a new version of the reference-hypernetted chain approximation (RHNC) with minimized free energy proposed by Lado, Foiles and Ashcroft. An accurate relationship is used for the bridge function of the reference hard spheres. The calculated values of the compressibility factor and the internal energy are compared with simulation data, with results of the exponential approximation of Andersen et al., and with results of the Madden-Fitts approximation. The RHNC provides the most reliable results over wide ranges of reduced temperatures and densities.

Thermodynamic perturbation theory for fused sphere hard chain fluids using nonadditive interactions

NASA Astrophysics Data System (ADS)

Abu-Sharkh, Basel F.; Sunaidi, Abdallah; Hamad, Esam Z.

2004-03-01

A model is developed for the equation of state of fused chains based on Wertheim thermodynamic perturbation theory and nonadditive size interactions. The model also assumes that the structure (represented by the radial distribution function) of the fused chain fluid is the same as that of the touching hard sphere chain fluid. The model is completely based on spherical additive and nonadditive size interactions. The model has the advantage of offering good agreement with simulation data while at the same time being independent of fitted parameters. The model is most accurate for short chains, small values of Δ (slightly fused spheres) and at intermediate (liquidlike) densities.

Formation of Ordered Arrays of Proteins on Surfaces

NASA Technical Reports Server (NTRS)

Lenhoff, A. M.

1996-01-01

Van der Waals (dispersion) forces contribute to interactions of proteins with other molecules or with surfaces, but because of the structural complexity of protein molecules, the magnitude of these effects is usually estimated based on idealized models of the molecular geometry, e.g., spheres or spheroids. The calculations reported here seek to account for both the geometric irregularity of protein molecules and the material properties of the interacting media. While the latter are found to fall in the generally accepted range, the molecular shape is shown to cause the magnitudes of the interactions to differ significantly from those calculated using idealized models, with important consequences. First, the roughness of the molecular surface leads to much lower average interaction energies for both protein-protein and protein-surface cases relative to calculations in which the protein molecule is approximated as a sphere. These results indicate that a form of steric stabilization may be an important effect in protein solutions. Underlying this behavior is appreciable orientational dependence, one reflection of which is that molecules of complementary shape are found to exhibit very strong attractive dispersion interactions. Although this has been widely discussed previously in the context of molecular recognition processes, the broader implications of these phenomena may also be important at larger molecular separations, e.g., in the dynamics of aggregation, precipitation and crystal growth.

Van der Waals Interactions Involving Proteins

NASA Technical Reports Server (NTRS)

Roth, Charles M.; Neal, Brian L.; Lenhoff, Abraham M.

1996-01-01

Van der Waals (dispersion) forces contribute to interactions of proteins with other molecules or with surfaces, but because of the structural complexity of protein molecules, the magnitude of these effects is usually estimated based on idealized models of the molecular geometry, e.g., spheres or spheroids. The calculations reported here seek to account for both the geometric irregularity of protein molecules and the material properties of the interacting media. Whereas the latter are found to fall in the generally accepted range, the molecular shape is shown to cause the magnitudes of the interactions to differ significantly from those calculated using idealized models. with important consequences. First, the roughness of the molecular surface leads to much lower average interaction energies for both protein-protein and protein-surface cases relative to calculations in which the protein molecule is approximated as a sphere. These results indicate that a form of steric stabilization may be an important effect in protein solutions. Underlying this behavior is appreciable orientational dependence, one reflection of which is that molecules of complementary shape are found to exhibit very strong attractive dispersion interactions. Although this has been widely discussed previously in the context of molecular recognition processes, the broader implications of these phenomena may also be important at larger molecular separations, e.g., in the dynamics of aggregation, precipitation, and crystal growth.

Cosmology, Cosmomicrophysics and Gravitation Properties of the Gravitational Lens Mapping in the Vicinity of a Cusp Caustic

NASA Astrophysics Data System (ADS)

Alexandrov, A. N.; Zhdanov, V. I.; Koval, S. M.

We derive approximate formulas for the coordinates and magnification of critical images of a point source in a vicinity of a cusp caustic arising in the gravitational lens mapping. In the lowest (zero-order) approximation, these formulas were obtained in the classical work by Schneider&Weiss (1992) and then studied by a number of authors; first-order corrections in powers of the proximity parameter were treated by Congdon, Keeton and Nordgren. We have shown that the first-order corrections are solely due to the asymmetry of the cusp. We found expressions for the second-order corrections in the case of general lens potential and for an arbitrary position of the source near a symmetric cusp. Applications to a lensing galaxy model represented by a singular isothermal sphere with an external shear y are studied and the role of the second-order corrections is demonstrated.

On the geometry dependence of differential pathlength factor for near-infrared spectroscopy. I. Steady-state with homogeneous medium

PubMed Central

Piao, Daqing; Barbour, Randall L.; Graber, Harry L.; Lee, Daniel C.

2015-01-01

Abstract. This work analytically examines some dependences of the differential pathlength factor (DPF) for steady-state photon diffusion in a homogeneous medium on the shape, dimension, and absorption and reduced scattering coefficients of the medium. The medium geometries considered include a semi-infinite geometry, an infinite-length cylinder evaluated along the azimuthal direction, and a sphere. Steady-state photon fluence rate in the cylinder and sphere geometries is represented by a form involving the physical source, its image with respect to the associated extrapolated half-plane, and a radius-dependent term, leading to simplified formula for estimating the DPFs. With the source-detector distance and medium optical properties held fixed across all three geometries, and equal radii for the cylinder and sphere, the DPF is the greatest in the semi-infinite and the smallest in the sphere geometry. When compared to the results from finite-element method, the DPFs analytically estimated for 10 to 25 mm source–detector separations on a sphere of 50 mm radius with μa=0.01  mm−1 and μs′=1.0  mm−1 are on average less than 5% different. The approximation for sphere, generally valid for a diameter ≥20 times of the effective attenuation pathlength, may be useful for rapid estimation of DPFs in near-infrared spectroscopy of an infant head and for short source–detector separation. PMID:26465613

Effect of curvature on the backscattering from leaves

NASA Technical Reports Server (NTRS)

Sarabandi, K.; Senior, T. B. A.; Ulaby, F. T.

1988-01-01

Using a model previously developed for the backscattering cross section of a planar leaf at X-band frequencies and above, the effect of leaf curvature is examined. For normal incidence on a rectangular section of a leaf curved in one and two dimensions, an integral expression for the backscattered field is evaluated numerically and by a stationary phase approximation, leading to a simple analytical expression for the cross section reduction produced by the curvature. Numerical results based on the two methods are virtually identical, and in excellent agreement with measured data for rectangular sections of coleus leaves applied to the surfaces of styrofoam cylinders and spheres of different radii.

Effect of curvature on the backscattering from a leaf

NASA Technical Reports Server (NTRS)

Sarabandi, K.; Senior, T. B. A.; Ulaby, F. T.

1988-01-01

Using a model previously developed for the backscattering cross section of a planar leaf at X-band frequencies and above, the effect of leaf curvature is examined. For normal incidence on a rectangular section of a leaf curved in one and two dimensions, an integral expression for the backscattered field is evaluated numerically and by a stationary phase approximation, leading to a simple analytical expression for the cross-section reduction produced by the curvature. Numerical results based on the two methods are virtually identical, and in excellent agreement with measured data for rectangular sections of coleus leaves applied to the surfaces of styrofoam cylinders and spheres of different radii.

Three-sphere low-Reynolds-number swimmer with a cargo container.

PubMed

Golestanian, R

2008-01-01

A recently introduced model for an autonomous swimmer at low Reynolds number that is comprised of three spheres connected by two arms is considered when one of the spheres has a large radius. The Stokes hydrodynamic flow associated with the swimming strokes and net motion of this system can be studied analytically using the Stokes Green's function of a point force in front of a sphere of arbitrary radius R provided by Oseen. The swimming velocity is calculated, and shown to scale as 1/R3 with the radius of the sphere.

A Monte Carlo model for the internal dosimetry of choroid plexuses in nuclear medicine procedures.

PubMed

Amato, Ernesto; Cicone, Francesco; Auditore, Lucrezia; Baldari, Sergio; Prior, John O; Gnesin, Silvano

2018-05-01

Choroid plexuses are vascular structures located in the brain ventricles, showing specific uptake of some diagnostic and therapeutic radiopharmaceuticals currently under clinical investigation, such as integrin-binding arginine-glycine-aspartic acid (RGD) peptides. No specific geometry for choroid plexuses has been implemented in commercially available software for internal dosimetry. The aims of the present study were to assess the dependence of absorbed dose to the choroid plexuses on the organ geometry implemented in Monte Carlo simulations, and to propose an analytical model for the internal dosimetry of these structures for 18 F, 64 Cu, 67 Cu, 68 Ga, 90 Y, 131 I and 177 Lu nuclides. A GAMOS Monte Carlo simulation based on direct organ segmentation was taken as the gold standard to validate a second simulation based on a simplified geometrical model of the choroid plexuses. Both simulations were compared with the OLINDA/EXM sphere model. The gold standard and the simplified geometrical model gave similar dosimetry results (dose difference < 3.5%), indicating that the latter can be considered as a satisfactory approximation of the real geometry. In contrast, the sphere model systematically overestimated the absorbed dose compared to both Monte Carlo models (range: 4-50% dose difference), depending on the isotope energy and organ mass. Therefore, the simplified geometric model was adopted to introduce an analytical approach for choroid plexuses dosimetry in the mass range 2-16 g. The proposed model enables the estimation of the choroid plexuses dose by a simple bi-parametric function, once the organ mass and the residence time of the radiopharmaceutical under investigation are provided. Copyright © 2018 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Core-Shell Particles as Building Blocks for Systems with High Duality Symmetry

NASA Astrophysics Data System (ADS)

Rahimzadegan, Aso; Rockstuhl, Carsten; Fernandez-Corbaton, Ivan

2018-05-01

Material electromagnetic duality symmetry requires a system to have equal electric and magnetic responses. Intrinsically dual materials that meet the duality conditions at the level of the constitutive relations do not exist in many frequency bands. Nevertheless, discrete objects like metallic helices and homogeneous dielectric spheres can be engineered to approximate the dual behavior. We exploit the extra degrees of freedom of a core-shell dielectric sphere in a particle optimization procedure. The duality symmetry of the resulting particle is more than 1 order of magnitude better than previously reported nonmagnetic objects. We use T -matrix-based multiscattering techniques to show that the improvement is transferred onto the duality symmetry of composite objects when the core-shell particle is used as a building block instead of homogeneous spheres. These results are relevant for the fashioning of systems with high duality symmetry, which are required for some technologically important effects.

Near-field radiative heat transfer in scanning thermal microscopy computed with the boundary element method

NASA Astrophysics Data System (ADS)

Nguyen, K. L.; Merchiers, O.; Chapuis, P.-O.

2017-11-01

We compute the near-field radiative heat transfer between a hot AFM tip and a cold substrate. This contribution to the tip-sample heat transfer in Scanning Thermal Microscopy is often overlooked, despite its leading role when the tip is out of contact. For dielectrics, we provide power levels exchanged as a function of the tip-sample distance in vacuum and spatial maps of the heat flux deposited into the sample which indicate the near-contact spatial resolution. The results are compared to analytical expressions of the Proximity Flux Approximation. The numerical results are obtained by means of the Boundary Element Method (BEM) implemented in the SCUFF-EM software, and require first a thorough convergence analysis of the progressive implementation of this method to the thermal emission by a sphere, the radiative transfer between two spheres, and the radiative exchange between a sphere and a finite substrate.

One-step formation of TiO2 hollow spheres via a facile microwave-assisted process for photocatalytic activity

NASA Astrophysics Data System (ADS)

Mohamad Alosfur, Firas K.; Ridha, Noor J.; Hafizuddin Haji Jumali, Mohammad; Radiman, S.

2018-04-01

Mesoporous TiO2 hollow spherical nanostructures with high surface areas were successfully prepared using a microwave method. The prepared hollow spheres had a size range between 200 and 500 nm. The spheres consisted of numerous smaller TiO2 nanoparticles with an average diameter of 8 nm. The particles had an essentially mesoporous structure, with a pore size in the range of 2-50 nm. The results confirmed that the synthesised of anatase TiO2 nanoparticles with specific surface area approximately 172.3 m2 g-1. The effect of ultraviolet and visible light irradiation and catalyst dosage on the TiO2 photocatalytic activity was studied by measuring the degradation rate of methylene blue. The maximum dye degradation performances with low catalyst loading (30 mg) were 99% and 63.4% using the same duration of ultraviolet and visible light irradiation, respectively (120 min).

Capillary Pressure of a Liquid Between Uniform Spheres Arranged in a Square-Packed Layer

NASA Technical Reports Server (NTRS)

Alexader, J. Iwan D.; Slobozhanin, Lev A.; Collicott, Steven H.

2004-01-01

The capillary pressure in the pores defined by equidimensional close-packed spheres is analyzed numerically. In the absence of gravity the menisci shapes are constructed using Surface Evolver code. This permits calculation the free surface mean curvature and hence the capillary pressure. The dependences of capillary pressure on the liquid volume constructed here for a set of contact angles allow one to determine the evolution of basic capillary characteristics under quasi-static infiltration and drainage. The maximum pressure difference between liquid and gas required for a meniscus passing through a pore is calculated and compared with that for hexagonal packing and with approximate solution given by Mason and Morrow [l]. The lower and upper critical liquid volumes that determine the stability limits for the equilibrium capillary liquid in contact with square packed array of spheres are tabulated for a set of contact angles.

Viscous constraints on predator:food size ratios in microscale feeding

NASA Astrophysics Data System (ADS)

Jabbarzadeh, Mehdi; Fu, Henry

2014-11-01

Small organisms such as protists or copepods may try to capture food by manipulating food with cilia, limbs, or feeding appendages. At these small scales, viscous flow may complicate the ability of a feeding appendage to closely approach a food particle. As a simplified but tractable model of such feeding approach, we consider the problem of two spheres approaching in a Stokes fluid. The first ``feeding'' sphere, which represents a body part or feeding appendage, is pushed with a constant force towards a force-free ``food'' sphere. When the feeding sphere reaches within a cutoff distance of the food sphere we assume that nonhydrodynamic interactions lead to capture. We examine approach for a range of size ratios between the feeding and food sphere. To investigate the approach efficiency, we examine the time required for the feeding sphere to capture the food sphere, as well as how far the feeding sphere must move before it captures the food sphere. We also examine the effect of varying the cutoff distance for capture. We find that hydrodynamic interactions strongly affect the results when the size of the spheres is comparable. We describe what relative sizes between feeding sphere and food particles may be most effective for food capture.

Sound scattering by several zooplankton groups. II. Scattering models.

PubMed

Stanton, T K; Chu, D; Wiebe, P H

1998-01-01

Mathematical scattering models are derived and compared with data from zooplankton from several gross anatomical groups--fluidlike, elastic shelled, and gas bearing. The models are based upon the acoustically inferred boundary conditions determined from laboratory backscattering data presented in part I of this series [Stanton et al., J. Acoust. Soc. Am. 103, 225-235 (1998)]. The models use a combination of ray theory, modal-series solution, and distorted wave Born approximation (DWBA). The formulations, which are inherently approximate, are designed to include only the dominant scattering mechanisms as determined from the experiments. The models for the fluidlike animals (euphausiids in this case) ranged from the simplest case involving two rays, which could qualitatively describe the structure of target strength versus frequency for single pings, to the most complex case involving a rough inhomogeneous asymmetrically tapered bent cylinder using the DWBA-based formulation which could predict echo levels over all angles of incidence (including the difficult region of end-on incidence). The model for the elastic shelled body (gastropods in this case) involved development of an analytical model which takes into account irregularities and discontinuities of the shell. The model for gas-bearing animals (siphonophores) is a hybrid model which is composed of the summation of the exact solution to the gas sphere and the approximate DWBA-based formulation for arbitrarily shaped fluidlike bodies. There is also a simplified ray-based model for the siphonophore. The models are applied to data involving single pings, ping-to-ping variability, and echoes averaged over many pings. There is reasonable qualitative agreement between the predictions and single ping data, and reasonable quantitative agreement between the predictions and variability and averages of echo data.

Mineralogy of approximately 1-10 Micrometer Iron Spheres Within 3.4 Ga Rocks (Towers Formation, Warrawoona Group, Northwestern Australia)

NASA Technical Reports Server (NTRS)

Morris, P. A.; Wentworth, Susan J.; Thomas-Keprta, Kathie L.; Allen, Carlton C.; Schwandt, Craig S.; McKay, David S.; Westall, Frances; Bell, Mary Sue; Gibson, Everett K.

2000-01-01

Iron-bearing spherules in Archean Warrawoona rocks are composed of hematite and goethite. They are clearly syngenetic with the rock but their origin, whether biological or abiogenic, is not yet known.

Sliding friction of nanocomposite WC1-x/C coatings: transfer film and its influence on tribology.

PubMed

Liu, Y; Gubisch, M; Spiess, L; Schaefer, J A

2009-06-01

The transfer film on steel spheres formed in reciprocating sliding against nanocomposite coatings based on nanocrystalline WC1-x in amorphous carbon matrix is characterized and correlated with the tribological properties measured by a precision microtribometer. With the presence of transfer film, a coefficient of friction approximately 0.13 and a depth wear rate approximately 0.35 x 10(-10) m/N.Pass were obtained. The central zone of the transfer film covering approximately 25% of the Hertz contact area is intact while cracks and wear debris are found in the vast peripheral area. It is also heavily oxidized due to the absence of carbon, which is located at the peripherals and acts as lubricants. We propose that the oxidation of WC and adhesion of the oxides to the surface of sphere is the main mechanism for the buildup of the transfer films. With the thickening of the film, the internal stress increases. Under the shear stress, spalling and cracking of the transfer film take place. The overall tribological performance of the coatings is therefore a competing process of buildup and spalling of transfer films.

Mean and Fluctuating Force Distribution in a Random Array of Spheres

NASA Astrophysics Data System (ADS)

Akiki, Georges; Jackson, Thomas; Balachandar, Sivaramakrishnan

2015-11-01

This study presents a numerical study of the force distribution within a cluster of mono-disperse spherical particles. A direct forcing immersed boundary method is used to calculate the forces on individual particles for a volume fraction range of [0.1, 0.4] and a Reynolds number range of [10, 625]. The overall drag is compared to several drag laws found in the literature. As for the fluctuation of the hydrodynamic streamwise force among individual particles, it is shown to have a normal distribution with a standard deviation that varies with the volume fraction only. The standard deviation remains approximately 25% of the mean streamwise force on a single sphere. The force distribution shows a good correlation between the location of two to three nearest upstream and downstream neighbors and the magnitude of the forces. A detailed analysis of the pressure and shear forces contributions calculated on a ghost sphere in the vicinity of a single particle in a uniform flow reveals a mapping of those contributions. The combination of the mapping and number of nearest neighbors leads to a first order correction of the force distribution within a cluster which can be used in Lagrangian-Eulerian techniques. We also explore the possibility of a binary force model that systematically accounts for the effect of the nearest neighbors. This work was supported by the National Science Foundation (NSF OISE-0968313) under Partnership for International Research and Education (PIRE) in Multiphase Flows at the University of Florida.

Specific surface area of overlapping spheres in the presence of obstructions

NASA Astrophysics Data System (ADS)

Jenkins, D. R.

2013-02-01

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

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

PubMed

Jenkins, D R

2013-02-21

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

Improved biovolume estimation of Microcystis aeruginosa colonies: A statistical approach.

PubMed

Alcántara, I; Piccini, C; Segura, A M; Deus, S; González, C; Martínez de la Escalera, G; Kruk, C

2018-05-27

The Microcystis aeruginosa complex (MAC) clusters many of the most common freshwater and brackish bloom-forming cyanobacteria. In monitoring protocols, biovolume estimation is a common approach to determine MAC colonies biomass and useful for prediction purposes. Biovolume (μm 3 mL -1 ) is calculated multiplying organism abundance (orgL -1 ) by colonial volume (μm 3 org -1 ). Colonial volume is estimated based on geometric shapes and requires accurate measurements of dimensions using optical microscopy. A trade-off between easy-to-measure but low-accuracy simple shapes (e.g. sphere) and time costly but high-accuracy complex shapes (e.g. ellipsoid) volume estimation is posed. Overestimations effects in ecological studies and management decisions associated to harmful blooms are significant due to the large sizes of MAC colonies. In this work, we aimed to increase the precision of MAC biovolume estimations by developing a statistical model based on two easy-to-measure dimensions. We analyzed field data from a wide environmental gradient (800 km) spanning freshwater to estuarine and seawater. We measured length, width and depth from ca. 5700 colonies under an inverted microscope and estimated colonial volume using three different recommended geometrical shapes (sphere, prolate spheroid and ellipsoid). Because of the non-spherical shape of MAC the ellipsoid resulted in the most accurate approximation, whereas the sphere overestimated colonial volume (3-80) especially for large colonies (MLD higher than 300 μm). Ellipsoid requires measuring three dimensions and is time-consuming. Therefore, we constructed different statistical models to predict organisms depth based on length and width. Splitting the data into training (2/3) and test (1/3) sets, all models resulted in low training (1.41-1.44%) and testing average error (1.3-2.0%). The models were also evaluated using three other independent datasets. The multiple linear model was finally selected to calculate MAC volume as an ellipsoid based on length and width. This work contributes to achieve a better estimation of MAC volume applicable to monitoring programs as well as to ecological research. Copyright © 2017. Published by Elsevier B.V.

Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duignan, Timothy T.; Baer, Marcel D.; Schenter, Gregory K.

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 coarse grained models of electrolyte solution. Here, we provide rigorous 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 (DFT-MD) and isolate the effects of charge and cavitation,more » comparing to the Born (linear response) model. We show that using uncorrected Ewald summation leads to highly unphysical values for the 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 (CHA) 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. We would like to thank Thomas Beck, Shawn Kathmann, Richard Remsing and John Weeks for helpful discussions. Computing resources were generously allocated by PNNL's Institutional Computing program. This research also used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. TTD, GKS, and CJM were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. MDB was supported by MS3 (Materials Synthesis and Simulation Across Scales) Initiative, a Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated by Battelle for the U.S. Department of Energy.« less

Alkaline transition of pseudoazurin Met16X mutant proteins: protein stability influenced by the substitution of Met16 in the second sphere coordination.

PubMed

Abdelhamid, Rehab F; Obara, Yuji; Kohzuma, Takamitsu

2008-01-01

Several blue copper proteins are known to change the active site structure at alkaline pH (alkaline transition). Spectroscopic studies of Met16Phe, Met16Tyr, Met16Trp, and Met16Val pseudoazurin variants were performed to investigate the second sphere role through alkaline transition. The visible electronic absorption and resonance Raman spectra of Met16Phe, Met16Tyr, and Met16Trp variants showed the increasing of axial component at pH approximately 11 like wild-type PAz. The visible electronic absorption and far-UV CD spectra of Met16Val demonstrated that the destabilization of the protein structure was triggered at pH>11. Resonance Raman (RR) spectra of PAz showed that the intensity-weighted averaged Cu-S(Cys) stretching frequency was shifted to higher frequency region at pH approximately 11. The higher frequency shift of Cu-S(Cys) bond is implied the stronger Cu-S(Cys) bond at alkaline transition pH approximately 11. The visible electronic absorption and far-UV CD spectra of Met16X PAz revealed that the Met16Val variant is denatured at pH>11, but Met16Phe, Met16Tyr, and Met16Trp mutant proteins are not denatured even at pH>11. These observations suggest that Met16 is important to maintain the protein structure through the possible weak interaction between methionine -SCH3 part and coordinated histidine imidazole moiety. The introduction of pi-pi interaction in the second coordination sphere may be contributed to the enhancement of protein structure stability.

NOTE: An innovative phantom for quantitative and qualitative investigation of advanced x-ray imaging technologies

NASA Astrophysics Data System (ADS)

Chiarot, C. B.; Siewerdsen, J. H.; Haycocks, T.; Moseley, D. J.; Jaffray, D. A.

2005-11-01

Development, characterization, and quality assurance of advanced x-ray imaging technologies require phantoms that are quantitative and well suited to such modalities. This note reports on the design, construction, and use of an innovative phantom developed for advanced imaging technologies (e.g., multi-detector CT and the numerous applications of flat-panel detectors in dual-energy imaging, tomosynthesis, and cone-beam CT) in diagnostic and image-guided procedures. The design addresses shortcomings of existing phantoms by incorporating criteria satisfied by no other single phantom: (1) inserts are fully 3D—spherically symmetric rather than cylindrical; (2) modules are quantitative, presenting objects of known size and contrast for quality assurance and image quality investigation; (3) features are incorporated in ideal and semi-realistic (anthropomorphic) contexts; and (4) the phantom allows devices to be inserted and manipulated in an accessible module (right lung). The phantom consists of five primary modules: (1) head, featuring contrast-detail spheres approximate to brain lesions; (2) left lung, featuring contrast-detail spheres approximate to lung modules; (3) right lung, an accessible hull in which devices may be placed and manipulated; (4) liver, featuring conrast-detail spheres approximate to metastases; and (5) abdomen/pelvis, featuring simulated kidneys, colon, rectum, bladder, and prostate. The phantom represents a two-fold evolution in design philosophy—from 2D (cylindrically symmetric) to fully 3D, and from exclusively qualitative or quantitative to a design accommodating quantitative study within an anatomical context. It has proven a valuable tool in investigations throughout our institution, including low-dose CT, dual-energy radiography, and cone-beam CT for image-guided radiation therapy and surgery.

On the "Optimal" Choice of Trial Functions for Modelling Potential Fields

NASA Astrophysics Data System (ADS)

Michel, Volker

2015-04-01

There are many trial functions (e.g. on the sphere) available which can be used for the modelling of a potential field. Among them are orthogonal polynomials such as spherical harmonics and radial basis functions such as spline or wavelet basis functions. Their pros and cons have been widely discussed in the last decades. We present an algorithm, the Regularized Functional Matching Pursuit (RFMP), which is able to choose trial functions of different kinds in order to combine them to a stable approximation of a potential field. One main advantage of the RFMP is that the constructed approximation inherits the advantages of the different basis systems. By including spherical harmonics, coarse global structures can be represented in a sparse way. However, the additional use of spline basis functions allows a stable handling of scattered data grids. Furthermore, the inclusion of wavelets and scaling functions yields a multiscale analysis of the potential. In addition, ill-posed inverse problems (like a downward continuation or the inverse gravimetric problem) can be regularized with the algorithm. We show some numerical examples to demonstrate the possibilities which the RFMP provides.

Nonlocal torque operators in ab initio theory of the Gilbert damping in random ferromagnetic alloys

NASA Astrophysics Data System (ADS)

Turek, I.; Kudrnovský, J.; Drchal, V.

2015-12-01

We present an ab initio theory of the Gilbert damping in substitutionally disordered ferromagnetic alloys. The theory rests on introduced nonlocal torques which replace traditional local torque operators in the well-known torque-correlation formula and which can be formulated within the atomic-sphere approximation. The formalism is sketched in a simple tight-binding model and worked out in detail in the relativistic tight-binding linear muffin-tin orbital method and the coherent potential approximation (CPA). The resulting nonlocal torques are represented by nonrandom, non-site-diagonal, and spin-independent matrices, which simplifies the configuration averaging. The CPA-vertex corrections play a crucial role for the internal consistency of the theory and for its exact equivalence to other first-principles approaches based on the random local torques. This equivalence is also illustrated by the calculated Gilbert damping parameters for binary NiFe and FeCo random alloys, for pure iron with a model atomic-level disorder, and for stoichiometric FePt alloys with a varying degree of L 10 atomic long-range order.

Techniques of Global analysis applied to gravitation theories: A cosmological black hole?

NASA Technical Reports Server (NTRS)

Debney, G.

1977-01-01

An elementary model of freely falling observers and emitters within a black hole's radius is examined to determine the redshift spectrum reaching a typical observer. The model is independent of scale, the fundamental unit being the radius (mass) of the black hole. The observers/emitters all follow the same kinds of trajectories: radially inward and starting from rest at spatial infinity. The test-particle role is assumed throughout; i.e., the observers/emitters do not themselves contribute to the gravitational field of the system. By means of redshift formulas and luminosity distance to the emitters, a picture of actual redshifts and blueshifts, with their intensities, emerges for an observer within the black hole's radius. No luminosity distances greater than approximately one-half the radius are considered in this particular study; nevertheless, redshifts and blueshifts up to approximately 0.6 are seen in portions of the observer's celestial sphere. An exotic application can be made, as a curiosity, to a black hole the size of the universe, resulting in a particular anisotropic "cosmology."

Parallelization of combinatorial search when solving knapsack optimization problem on computing systems based on multicore processors

NASA Astrophysics Data System (ADS)

Rahman, P. A.

2018-05-01

This scientific paper deals with the model of the knapsack optimization problem and method of its solving based on directed combinatorial search in the boolean space. The offered by the author specialized mathematical model of decomposition of the search-zone to the separate search-spheres and the algorithm of distribution of the search-spheres to the different cores of the multi-core processor are also discussed. The paper also provides an example of decomposition of the search-zone to the several search-spheres and distribution of the search-spheres to the different cores of the quad-core processor. Finally, an offered by the author formula for estimation of the theoretical maximum of the computational acceleration, which can be achieved due to the parallelization of the search-zone to the search-spheres on the unlimited number of the processor cores, is also given.

Hydrodynamic capture of microswimmers into sphere-bound orbits.

PubMed

Takagi, Daisuke; Palacci, Jérémie; Braunschweig, Adam B; Shelley, Michael J; Zhang, Jun

2014-03-21

Self-propelled particles can exhibit surprising non-equilibrium behaviors, and how they interact with obstacles or boundaries remains an important open problem. Here we show that chemically propelled micro-rods can be captured, with little change in their speed, into close orbits around solid spheres resting on or near a horizontal plane. We show that this interaction between sphere and particle is short-range, occurring even for spheres smaller than the particle length, and for a variety of sphere materials. We consider a simple model, based on lubrication theory, of a force- and torque-free swimmer driven by a surface slip (the phoretic propulsion mechanism) and moving near a solid surface. The model demonstrates capture, or movement towards the surface, and yields speeds independent of distance. This study reveals the crucial aspects of activity–driven interactions of self-propelled particles with passive objects, and brings into question the use of colloidal tracers as probes of active matter.

Hollow boron nitride nanospheres as boron reservoir for prostate cancer treatment

PubMed Central

Li, Xia; Wang, Xiupeng; Zhang, Jun; Hanagata, Nobutaka; Wang, Xuebin; Weng, Qunhong; Ito, Atsuo; Bando, Yoshio; Golberg, Dmitri

2017-01-01

High global incidence of prostate cancer has led to a focus on prevention and treatment strategies to reduce the impact of this disease in public health. Boron compounds are increasingly recognized as preventative and chemotherapeutic agents. However, systemic administration of soluble boron compounds is hampered by their short half-life and low effectiveness. Here we report on hollow boron nitride (BN) spheres with controlled crystallinity and boron release that decrease cell viability and increase prostate cancer cell apoptosis. In vivo experiments on subcutaneous tumour mouse models treated with BN spheres demonstrated significant suppression of tumour growth. An orthotopic tumour growth model was also utilized and further confirmed the in vivo anti-cancer efficacy of BN spheres. Moreover, the administration of hollow BN spheres with paclitaxel leads to synergetic effects in the suppression of tumour growth. The work demonstrates that hollow BN spheres may function as a new agent for prostate cancer treatment. PMID:28059072

Elastic spheres can walk on water.

PubMed

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

2016-02-04

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

Elastic spheres can walk on water

PubMed Central

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

2016-01-01

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

Reduced-Order Direct Numerical Simulation of Solute Transport in Porous Media

NASA Astrophysics Data System (ADS)

Mehmani, Yashar; Tchelepi, Hamdi

2017-11-01

Pore-scale models are an important tool for analyzing fluid dynamics in porous materials (e.g., rocks, soils, fuel cells). Current direct numerical simulation (DNS) techniques, while very accurate, are computationally prohibitive for sample sizes that are statistically representative of the porous structure. Reduced-order approaches such as pore-network models (PNM) aim to approximate the pore-space geometry and physics to remedy this problem. Predictions from current techniques, however, have not always been successful. This work focuses on single-phase transport of a passive solute under advection-dominated regimes and delineates the minimum set of approximations that consistently produce accurate PNM predictions. Novel network extraction (discretization) and particle simulation techniques are developed and compared to high-fidelity DNS simulations for a wide range of micromodel heterogeneities and a single sphere pack. Moreover, common modeling assumptions in the literature are analyzed and shown that they can lead to first-order errors under advection-dominated regimes. This work has implications for optimizing material design and operations in manufactured (electrodes) and natural (rocks) porous media pertaining to energy systems. This work was supported by the Stanford University Petroleum Research Institute for Reservoir Simulation (SUPRI-B).

Swimming of an assembly of rigid spheres at low Reynolds number.

PubMed

Felderhof, B U

2014-11-01

A matrix formulation is derived for the calculation of the swimming speed and the power required for swimming of an assembly of rigid spheres immersed in a viscous fluid of infinite extent. The spheres may have arbitrary radii and may interact with elastic forces. The analysis is based on the Stokes mobility matrix of the set of spheres, defined in low Reynolds number hydrodynamics. For small amplitude, swimming optimization of the swimming speed at given power leads to an eigenvalue problem. The method allows straightforward calculation of the swimming performance of structures modeled as assemblies of interacting rigid spheres.

Phase diagrams of Janus fluids with up-down constrained orientations

NASA Astrophysics Data System (ADS)

Fantoni, Riccardo; Giacometti, Achille; Maestre, Miguel Ángel G.; Santos, Andrés

2013-11-01

A class of binary mixtures of Janus fluids formed by colloidal spheres with the hydrophobic hemispheres constrained to point either up or down are studied by means of Gibbs ensemble Monte Carlo simulations and simple analytical approximations. These fluids can be experimentally realized by the application of an external static electrical field. The gas-liquid and demixing phase transitions in five specific models with different patch-patch affinities are analyzed. It is found that a gas-liquid transition is present in all the models, even if only one of the four possible patch-patch interactions is attractive. Moreover, provided the attraction between like particles is stronger than between unlike particles, the system demixes into two subsystems with different composition at sufficiently low temperatures and high densities.

Analytical expressions for the correlation function of a hard sphere dimer fluid

NASA Astrophysics Data System (ADS)

Kim, Soonho; Chang, Jaeeon; Kim, Hwayong

A closed form expression is given for the correlation function of a hard sphere dimer fluid. A set of integral equations is obtained from Wertheim's multidensity Ornstein-Zernike integral equation theory with Percus-Yevick approximation. Applying the Laplace transformation method to the integral equations and then solving the resulting equations algebraically, the Laplace transforms of the individual correlation functions are obtained. By the inverse Laplace transformation, the radial distribution function (RDF) is obtained in closed form out to 3D (D is the segment diameter). The analytical expression for the RDF of the hard dimer should be useful in developing the perturbation theory of dimer fluids.

Analytical expression for the correlation function of a hard sphere chain fluid

NASA Astrophysics Data System (ADS)

Chang, Jaeeon; Kim, Hwayong

A closed form expression is given for the correlation function of flexible hard sphere chain fluid. A set of integral equations obtained from Wertheim's multidensity Ornstein-Zernike integral equation theory with the polymer Percus-Yevick ideal chain approximation is considered. Applying the Laplace transformation method to the integral equations and then solving the resulting equations algebraically, the Laplace transforms of individual correlation functions are obtained. By inverse Laplace transformation the inter- and intramolecular radial distribution functions (RDFs) are obtained in closed forms up to 3D(D is segment diameter). These analytical expressions for the RDFs would be useful in developing the perturbation theory of chain fluids.

Time-resolved polarization imaging by pump-probe (stimulated emission) fluorescence microscopy.

PubMed Central

Buehler, C; Dong, C Y; So, P T; French, T; Gratton, E

2000-01-01

We report the application of pump-probe fluorescence microscopy in time-resolved polarization imaging. We derived the equations governing the pump-probe stimulated emission process and characterized the pump and probe laser power levels for signal saturation. Our emphasis is to use this novel methodology to image polarization properties of fluorophores across entire cells. As a feasibility study, we imaged a 15-microm orange latex sphere and found that there is depolarization that is possibly due to energy transfer among fluorescent molecules inside the sphere. We also imaged a mouse fibroblast labeled with CellTracker Orange CMTMR (5-(and-6)-(((4-chloromethyl)benzoyl)amino)tetramethyl-rhodamine). We observed that Orange CMTMR complexed with gluthathione rotates fast, indicating the relatively low fluid-phase viscosity of the cytoplasmic microenvironment as seen by Orange CMTMR. The measured rotational correlation time ranged from approximately 30 to approximately 150 ps. This work demonstrates the effectiveness of stimulated emission measurements in acquiring high-resolution, time-resolved polarization information across the entire cell. PMID:10866979

LOLA Project Artists

NASA Image and Video Library

1965-08-10

Artists used paintbrushes and airbrushes to recreate the lunar surface on each of the four models comprising the LOLA simulator. Project LOLA or Lunar Orbit and Landing Approach was a simulator built at Langley to study problems related to landing on the lunar surface. It was a complex project that cost nearly 2 million dollars. James Hansen wrote: This simulator was designed to provide a pilot with a detailed visual encounter with the lunar surface the machine consisted primarily of a cockpit, a closed-circuit TV system, and four large murals or scale models representing portions of the lunar surface as seen from various altitudes. The pilot in the cockpit moved along a track past these murals which would accustom him to the visual cues for controlling a spacecraft in the vicinity of the moon. Unfortunately, such a simulation--although great fun and quite aesthetic--was not helpful because flight in lunar orbit posed no special problems other than the rendezvous with the LEM, which the device did not simulate. Not long after the end of Apollo, the expensive machine was dismantled. (p. 379) Ellis J. White described the simulator as follows: Model 1 is a 20-foot-diameter sphere mounted on a rotating base and is scaled 1 in. 9 miles. Models 2,3, and 4 are approximately 15x40 feet scaled sections of model 1. Model 4 is a scaled-up section of the Crater Alphonsus and the scale is 1 in. 200 feet. All models are in full relief except the sphere. -- Published in James R. Hansen, Spaceflight Revolution: NASA Langley Research Center From Sputnik to Apollo, (Washington: NASA, 1995), p. 379 Ellis J. White, Discussion of Three Typical Langley Research Center Simulation Programs, Paper presented at the Eastern Simulation Council (EAI s Princeton Computation Center), Princeton, NJ, October 20, 1966.

LOLA Project

NASA Image and Video Library

1964-10-28

Artists used paintbrushes and airbrushes to recreate the lunar surface on each of the four models comprising the LOLA simulator. Project LOLA or Lunar Orbit and Landing Approach was a simulator built at Langley to study problems related to landing on the lunar surface. It was a complex project that cost nearly $2 million dollars. James Hansen wrote: "This simulator was designed to provide a pilot with a detailed visual encounter with the lunar surface; the machine consisted primarily of a cockpit, a closed-circuit TV system, and four large murals or scale models representing portions of the lunar surface as seen from various altitudes. The pilot in the cockpit moved along a track past these murals which would accustom him to the visual cues for controlling a spacecraft in the vicinity of the moon. Unfortunately, such a simulation--although great fun and quite aesthetic--was not helpful because flight in lunar orbit posed no special problems other than the rendezvous with the LEM, which the device did not simulate. Not long after the end of Apollo, the expensive machine was dismantled." (p. 379) Ellis J. White further described LOLA in his paper "Discussion of Three Typical Langley Research Center Simulation Programs," "Model 1 is a 20-foot-diameter sphere mounted on a rotating base and is scaled 1 in. = 9 miles. Models 2,3, and 4 are approximately 15x40 feet scaled sections of model 1. Model 4 is a scaled-up section of the Crater Alphonsus and the scale is 1 in. = 200 feet. All models are in full relief except the sphere." -- Published in James R. Hansen, Spaceflight Revolution, NASA SP-4308, p. 379; Ellis J. White, "Discussion of Three Typical Langley Research Center Simulation Programs," Paper presented at the Eastern Simulation Council (EAI's Princeton Computation Center), Princeton, NJ, October 20, 1966.

Recycle polymer characterization and adhesion modeling

NASA Astrophysics Data System (ADS)

Holbery, James David

Contaminants from paper product producers that adversely affect fiber yield have been collected from mills located in three North American geographic regions. Samples have been fractionated using a modified solvent extraction process and subsequently quantitatively characterized and it was found that agglomerates were comprised of the following: approximately 30% extractable polymeric material, 25--35% fiber, 12--15% inorganic material, 15% non-extractable high molecular-weight polyethylene or cross-linked polymers, and 2--4% starch residue. Three representative polymers, paraffin, low-molecular weight polyethylene, and a commercial hot-melt adhesive were selected for further analysis to model the attractive and repulsive behavior using Scanning Probe Microscopy in an aqueous cell. Scanning force probes were characterized using an original technique utilizing a nano-indentation apparatus that is non-destructive and is accurate to within 10% for probes with force constants as low as 1 N/m. Surface force measurements were performed between a Poly (Styrene/30% Butyl Methacrylate) sphere and substrates produced from paraffin, polyethylene, and a commercial hot-melt adhesive in solutions ranging in NaF ionic concentrations from 0.001M to 1M. Reasonable theoretical agreement with experimental data has been shown between a combined model applying van der Waals force contributions using the Derjaguin approximation and electrostatic contributions as predicted by a Debye-Huckel linearization of the Poisson-Boltzmann equation utilizing Hamaker constants derived from critical surface energies determined from Zisman and Lifshitz-van der Waals energy approaches. This model has been applied to measured data and indicates the strength of adhesion for the hot-melt to be 0.14 nN while that of paraffin is 1.9 nN and polyethylene 2.8 nN. Paraffin and polyethylene are 13.5 and 20 times greater in attraction than the hot-melt adhesive. Hot-melt adhesive repulsion is predicted to be 220 pN while for paraffin it is 9.1 nN and polyethylene 12.2 nN, a factor of 41 and 55 greater for paraffin and polyethylene, respectively. Decay lengths for repulsion is fit to be 2.3 nm for hotmelt indicating, approximately one-third that of paraffin and polyethylene. Johnson-Kendall-Roberts contact mechanic theory for viscoelastic materials has been applied with reasonable accuracy, particularly in experiments performed in solutions, to model the approach snap-in magnitude and detachment forces between sphere and substrate. Two representative commercial agglomeration formulations have been analyzed to determine the impact on adhesion and detachment forces although at room temperature, no measurable effect was identified.

Modelling mass diffusion for a multi-layer sphere immersed in a semi-infinite medium: application to drug delivery.

PubMed

Carr, Elliot J; Pontrelli, Giuseppe

2018-04-12

We present a general mechanistic model of mass diffusion for a composite sphere placed in a large ambient medium. The multi-layer problem is described by a system of diffusion equations coupled via interlayer boundary conditions such as those imposing a finite mass resistance at the external surface of the sphere. While the work is applicable to the generic problem of heat or mass transfer in a multi-layer sphere, the analysis and results are presented in the context of drug kinetics for desorbing and absorbing spherical microcapsules. We derive an analytical solution for the concentration in the sphere and in the surrounding medium that avoids any artificial truncation at a finite distance. The closed-form solution in each concentric layer is expressed in terms of a suitably-defined inverse Laplace transform that can be evaluated numerically. Concentration profiles and drug mass curves in the spherical layers and in the external environment are presented and the dependency of the solution on the mass transfer coefficient at the surface of the sphere analyzed. Copyright © 2018 Elsevier Inc. All rights reserved.

Spectral analysis of the Earth's topographic potential via 2D-DFT: a new data-based degree variance model to degree 90,000

NASA Astrophysics Data System (ADS)

Rexer, Moritz; Hirt, Christian

2015-09-01

Classical degree variance models (such as Kaula's rule or the Tscherning-Rapp model) often rely on low-resolution gravity data and so are subject to extrapolation when used to describe the decay of the gravity field at short spatial scales. This paper presents a new degree variance model based on the recently published GGMplus near-global land areas 220 m resolution gravity maps (Geophys Res Lett 40(16):4279-4283, 2013). We investigate and use a 2D-DFT (discrete Fourier transform) approach to transform GGMplus gravity grids into degree variances. The method is described in detail and its approximation errors are studied using closed-loop experiments. Focus is placed on tiling, azimuth averaging, and windowing effects in the 2D-DFT method and on analytical fitting of degree variances. Approximation errors of the 2D-DFT procedure on the (spherical harmonic) degree variance are found to be at the 10-20 % level. The importance of the reference surface (sphere, ellipsoid or topography) of the gravity data for correct interpretation of degree variance spectra is highlighted. The effect of the underlying mass arrangement (spherical or ellipsoidal approximation) on the degree variances is found to be crucial at short spatial scales. A rule-of-thumb for transformation of spectra between spherical and ellipsoidal approximation is derived. Application of the 2D-DFT on GGMplus gravity maps yields a new degree variance model to degree 90,000. The model is supported by GRACE, GOCE, EGM2008 and forward-modelled gravity at 3 billion land points over all land areas within the SRTM data coverage and provides gravity signal variances at the surface of the topography. The model yields omission errors of 9 mGal for gravity (1.5 cm for geoid effects) at scales of 10 km, 4 mGal (1 mm) at 2-km scales, and 2 mGal (0.2 mm) at 1-km scales.

Bulk properties of two-phase disordered media. I. Cluster expansion for the effective dielectric constant of dispersions of penetrable spheres

NASA Astrophysics Data System (ADS)

Torquato, S.

1984-12-01

We derive a cluster expansion for the effective dielectric constant ɛ* of a dispersion of equal-sized spheres distributed with arbitrary degree of impenetrability. The degree of impenetrability is characterized by some parameter λ whose value varies between zero (in the case of randomly centered spheres, i.e., fully penetrable spheres) and unity (in the instance of totally impenetrable spheres). This generalizes the results of Felderhof, Ford, and Cohen who obtain a cluster expansion for ɛ* for the specific case of a dispersion of totally impenetrable spheres, i.e., the instance λ=1. We describe the physical significance of the contributions to the average polarization of the two-phase system which arise from inclusion-overlap effects. Using these results, we obtain a density expansion for ɛ*, which is exact through second order in the number density ρ, and give the physical interpretations of all of the cluster integrals that arise here. The use of a certain family of equilibrium sphere distributions is suggested in order to systematically study the effects of details of the microstructure on ɛ* through second order in ρ. We show, furthermore, that the second-order term can be written as a sum of the contribution from a reference system of totally impenetrable spheres and an excess contribution, which only involves effects due to overlap of pairs of inclusions. We also obtain an expansion for ɛ* which is exact through second order in φ2, where φ2 is the sphere volume fraction. We evaluate, for concreteness, some of the integrals that arise in this study, for arbitrary λ, in the permeable-sphere model and in the penetrable concentric-shell model introduced in this study.

Simulation and study of stratified flows around finite bodies

NASA Astrophysics Data System (ADS)

Gushchin, V. A.; Matyushin, P. V.

2016-06-01

The flows past a sphere and a square cylinder of diameter d moving horizontally at the velocity U in a linearly density-stratified viscous incompressible fluid are studied. The flows are described by the Navier-Stokes equations in the Boussinesq approximation. Variations in the spatial vortex structure of the flows are analyzed in detail in a wide range of dimensionless parameters (such as the Reynolds number Re = Ud/ ν and the internal Froude number Fr = U/( Nd), where ν is the kinematic viscosity and N is the buoyancy frequency) by applying mathematical simulation (on supercomputers of Joint Supercomputer Center of the Russian Academy of Sciences) and three-dimensional flow visualization. At 0.005 < Fr < 100, the classification of flow regimes for the sphere (for 1 < Re < 500) and for the cylinder (for 1 < Re < 200) is improved. At Fr = 0 (i.e., at U = 0), the problem of diffusion-induced flow past a sphere leading to the formation of horizontal density layers near the sphere's upper and lower poles is considered. At Fr = 0.1 and Re = 50, the formation of a steady flow past a square cylinder with wavy hanging density layers in the wake is studied in detail.

Modelling of backscatter from vegetation layers

NASA Technical Reports Server (NTRS)

Van Zyl, J. J.; Engheta, N.; Papas, C. H.; Elachi, C.; Zebker, H.

1985-01-01

A simple way to build up a library of models which may be used to distinguish between the different types of vegetation and ground surfaces by means of their backscatter properties is presented. The curve of constant power received by the antenna (Gamma sphere) is calculated for the given Stokes Scattering Operator, and model parameters are adopted of the most similar library model Gamma sphere. Results calculated for a single scattering model resembling coniferous trees are compared with the Gamma spheres of a model resembling tropical region trees. The polarization which would minimize the effect of either the ground surface or the vegetation layer can be calculated and used to analyze the backscatter from the ground surface/vegetation layer combination, and enhance the power received from the desired part of the combination.

A Finite Element Model to Predict the Effect of Porosity on Elastic Modulus in Low-Porosity Materials

NASA Astrophysics Data System (ADS)

Morrissey, Liam S.; Nakhla, Sam

2018-07-01

The effect of porosity on elastic modulus in low-porosity materials is investigated. First, several models used to predict the reduction in elastic modulus due to porosity are compared with a compilation of experimental data to determine their ranges of validity and accuracy. The overlapping solid spheres model is found to be most accurate with the experimental data and valid between 3 and 10 pct porosity. Next, a FEM is developed with the objective of demonstrating that a macroscale plate with a center hole can be used to model the effect of microscale porosity on elastic modulus. The FEM agrees best with the overlapping solid spheres model and shows higher accuracy with experimental data than the overlapping solid spheres model.

Ginzburg criterion for ionic fluids: the effect of Coulomb interactions.

PubMed

Patsahan, O

2013-08-01

The effect of the Coulomb interactions on the crossover between mean-field and Ising critical behavior in ionic fluids is studied using the Ginzburg criterion. We consider the charge-asymmetric primitive model supplemented by short-range attractive interactions in the vicinity of the gas-liquid critical point. The model without Coulomb interactions exhibiting typical Ising critical behavior is used to calibrate the Ginzburg temperature of the systems comprising electrostatic interactions. Using the collective variables method, we derive a microscopic-based effective Hamiltonian for the full model. We obtain explicit expressions for all the relevant Hamiltonian coefficients within the framework of the same approximation, i.e., the one-loop approximation. Then we consistently calculate the reduced Ginzburg temperature t(G) for both the purely Coulombic model (a restricted primitive model) and the purely nonionic model (a hard-sphere square-well model) as well as for the model parameters ranging between these two limiting cases. Contrary to the previous theoretical estimates, we obtain the reduced Ginzburg temperature for the purely Coulombic model to be about 20 times smaller than for the nonionic model. For the full model including both short-range and long-range interactions, we show that t(G) approaches the value found for the purely Coulombic model when the strength of the Coulomb interactions becomes sufficiently large. Our results suggest a key role of Coulomb interactions in the crossover behavior observed experimentally in ionic fluids as well as confirm the Ising-like criticality in the Coulomb-dominated ionic systems.

Suppression of insolation heating induced by electromagnetic scatteringdue to fine spheres

NASA Astrophysics Data System (ADS)

Horie, J.; Mikada, H.; Goto, T.; Takekawa, J.; Manaka, Y.; Taniguchi, K.; Ashida, Y.

2013-12-01

The 2011 off the Pacific coast of Tohoku Earthquake, i.e., the greatest earthquake in the Japanese history, and the successive disaster at the Fukushima Daiichi Nuclear Power Plant have caused a fatal electric power shortage problem in summer in 2011. It is of key importance to reduce electricity demand and to save the energy. About one third of the total electricity demand at the peak consumption in summer is for the air-conditioning in the household and office sectors in Japan. It is, therefore, necessary to think deliberately of the reduction of electric power demand for air-conditioning. In fact, the temperature of materials rises when they are exposed to the sunlight (insolation heating) in particular in summer and the air-conditioning would become necessary for restoring the comfort in insolated housings. The energy for the air-conditioning is spent to pump out the heat changed in the materials of the insolated housings and would be proportional to the temperature to lower down. It is, therefore, clear that the reduction of the energy for the air-conditioning would strongly depend on relaxation of temperature rise or the insulation of insolated materials. Insolation heating could be suppressed when the materials are coated with paint admixed with fine silica spheres (insulating paint). By coating buildings' walls and roofs with such paint, the temperature of interior rooms could be kept lower without air-conditioning. These insulation effects are well known and have been utilized in the past, but have hardly been analyzed theoretically yet. Theoretical analysis would greatly enhance the effects of the suppression of insolation heating. In preceding studies, Ohkawa et al.(2009; 2011) and Mikada et al.(2011) focused on the electromagnetic wave scattering induced by fine spheres and developed the analytical method using superposition of scattered waves from each sphere (the first Born approximation), and indicated that the size of the spheres is one of the parameters affecting the light intensity transmitted through the paint. However, the rigorous results, not using such approximation or considering other parameters than the size of spheres, are still unknown. Such rigorous solution is necessary to find the best structure of the paint for insulating phenomena. In this study, we consider fine spheres randomly distributed in a paint layer coating a material, and analyze its scattering characteristics using the Monte Carlo ray tracing method based on the Mie theory. Three layers (air, paint and iron) are first assumed and a number of photons incident on the paint layer. The optical paths of photons are successively traced. We use their ratio between the number of reflected and transmitted photons and their phases in order toestimate the intensity of near-infrared sunlight that reaches the material (transmission intensity). As a result, it is found that the sphere radius should be less than 0.5 μm and the refractive index of sphere is less than 1.45 if we want to decrease the transmission intensity to less than about 0.1. We conclude that the introduction of the Monte Carlo simulation has led us to a quantitative analysis of the insulation effects caused by electromagnetic scattering and to find the optimum size and material of spheres to be admixed with paint.

Development of response models for the Earth Radiation Budget Experiment (ERBE) sensors. Part 2: Analysis of the ERBE integrating sphere ground calibration

NASA Technical Reports Server (NTRS)

Halyo, Nesim; Taylor, Deborah B.

1987-01-01

An explicit solution of the spectral radiance leaving an arbitrary point on the wall of a spherical cavity with diffuse reflectivity is obtained. The solution is applicable to spheres with an arbitrary number of openings of any size and shape, an arbitrary number of light sources with possible non-diffuse characteristics, a non-uniform sphere wall temperature distribution, non-uniform and non-diffuse sphere wall emissivity and non-uniform but diffuse sphere wall spectral reflectivity. A general measurement equation describing the output of a sensor with a given field of view, angular and spectral response measuring the sphere output is obtained. The results are applied to the Earth Radiation Budget Experiment (ERBE) integrating sphere. The sphere wall radiance uniformity, loading effects and non-uniform wall temperature effects are investigated. It is shown that using appropriate interpretation and processing, a high-accuracy short-wave calibration of the ERBE sensors can be achieved.

Converging shock flows for a Mie-Grüneisen equation of state

NASA Astrophysics Data System (ADS)

Ramsey, Scott D.; Schmidt, Emma M.; Boyd, Zachary M.; Lilieholm, Jennifer F.; Baty, Roy S.

2018-04-01

Previous work has shown that the one-dimensional (1D) inviscid compressible flow (Euler) equations admit a wide variety of scale-invariant solutions (including the famous Noh, Sedov, and Guderley shock solutions) when the included equation of state (EOS) closure model assumes a certain scale-invariant form. However, this scale-invariant EOS class does not include even simple models used for shock compression of crystalline solids, including many broadly applicable representations of Mie-Grüneisen EOS. Intuitively, this incompatibility naturally arises from the presence of multiple dimensional scales in the Mie-Grüneisen EOS, which are otherwise absent from scale-invariant models that feature only dimensionless parameters (such as the adiabatic index in the ideal gas EOS). The current work extends previous efforts intended to rectify this inconsistency, by using a scale-invariant EOS model to approximate a Mie-Grüneisen EOS form. To this end, the adiabatic bulk modulus for the Mie-Grüneisen EOS is constructed, and its key features are used to motivate the selection of a scale-invariant approximation form. The remaining surrogate model parameters are selected through enforcement of the Rankine-Hugoniot jump conditions for an infinitely strong shock in a Mie-Grüneisen material. Finally, the approximate EOS is used in conjunction with the 1D inviscid Euler equations to calculate a semi-analytical Guderley-like imploding shock solution in a metal sphere and to determine if and when the solution may be valid for the underlying Mie-Grüneisen EOS.

Elastic two-sphere swimmer in Stokes flow

NASA Astrophysics Data System (ADS)

Nasouri, Babak; Khot, Aditi; Elfring, Gwynn J.

2017-04-01

Swimming at low Reynolds number in Newtonian fluids is only possible through nonreciprocal body deformations due to the kinematic reversibility of the Stokes equations. We consider here a model swimmer consisting of two linked spheres, wherein one sphere is rigid and the other an incompressible neo-Hookean solid. The two spheres are connected by a rod that changes its length periodically. We show that the deformations of the body are nonreciprocal despite the reversible actuation and hence the elastic two-sphere swimmer propels forward. Our results indicate that even weak elastic deformations of a body can affect locomotion and may be exploited in designing artificial microswimmers.

Efficient distance calculation using the spherically-extended polytope (s-tope) model

NASA Technical Reports Server (NTRS)

Hamlin, Gregory J.; Kelley, Robert B.; Tornero, Josep

1991-01-01

An object representation scheme which allows for Euclidean distance calculation is presented. The object model extends the polytope model by representing objects as the convex hull of a finite set of spheres. An algorithm for calculating distances between objects is developed which is linear in the total number of spheres specifying the two objects.

Greenhouse effect: temperature of a metal sphere surrounded by a glass shell and heated by sunlight

NASA Astrophysics Data System (ADS)

Nguyen, Phuc H.; Matzner, Richard A.

2012-01-01

We study the greenhouse effect on a model satellite consisting of a tungsten sphere surrounded by a thin spherical, concentric glass shell, with a small gap between the sphere and the shell. The system sits in vacuum and is heated by sunlight incident along the z-axis. This development is a generalization of the simple treatment of the greenhouse effect given by Kittel and Kroemer (1980 Thermal Physics (San Francisco: Freeman)) and can serve as a very simple model demonstrating the much more complex Earth greenhouse effect. Solution of the model problem provides an excellent pedagogical tool at the Junior/Senior undergraduate level.

Computing the apparent centroid of radar targets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, C.E.

1996-12-31

A high-frequency multibounce radar scattering code was used as a simulation platform for demonstrating an algorithm to compute the ARC of specific radar targets. To illustrate this simulation process, several targets models were used. Simulation results for a sphere model were used to determine the errors of approximation associated with the simulation; verifying the process. The severity of glint induced tracking errors was also illustrated using a model of an F-15 aircraft. It was shown, in a deterministic manner, that the ARC of a target can fall well outside its physical extent. Finally, the apparent radar centroid simulation based onmore » a ray casting procedure is well suited for use on most massively parallel computing platforms and could lead to the development of a near real-time radar tracking simulation for applications such as endgame fuzing, survivability, and vulnerability analyses using specific radar targets and fuze algorithms.« less

On the Effect of Sphere-Overlap on Super Coarse-Grained Models of Protein Assemblies

NASA Astrophysics Data System (ADS)

Degiacomi, Matteo T.

2018-05-01

Ion mobility mass spectrometry (IM/MS) can provide structural information on intact protein complexes. Such data, including connectivity and collision cross sections (CCS) of assemblies' subunits, can in turn be used as a guide to produce representative super coarse-grained models. These models are constituted by ensembles of overlapping spheres, each representing a protein subunit. A model is considered plausible if the CCS and sphere-overlap levels of its subunits fall within predetermined confidence intervals. While the first is determined by experimental error, the latter is based on a statistical analysis on a range of protein dimers. Here, we first propose a new expression to describe the overlap between two spheres. Then we analyze the effect of specific overlap cutoff choices on the precision and accuracy of super coarse-grained models. Finally, we propose a method to determine overlap cutoff levels on a per-case scenario, based on collected CCS data, and show that it can be applied to the characterization of the assembly topology of symmetrical homo-multimers. [Figure not available: see fulltext.

A spherical model for orientation and spatial-frequency tuning in a cortical hypercolumn.

PubMed Central

Bressloff, Paul C; Cowan, Jack D

2003-01-01

A theory is presented of the way in which the hypercolumns in primary visual cortex (V1) are organized to detect important features of visual images, namely local orientation and spatial-frequency. Given the existence in V1 of dual maps for these features, both organized around orientation pinwheels, we constructed a model of a hypercolumn in which orientation and spatial-frequency preferences are represented by the two angular coordinates of a sphere. The two poles of this sphere are taken to correspond, respectively, to high and low spatial-frequency preferences. In Part I of the paper, we use mean-field methods to derive exact solutions for localized activity states on the sphere. We show how cortical amplification through recurrent interactions generates a sharply tuned, contrast-invariant population response to both local orientation and local spatial frequency, even in the case of a weakly biased input from the lateral geniculate nucleus (LGN). A major prediction of our model is that this response is non-separable with respect to the local orientation and spatial frequency of a stimulus. That is, orientation tuning is weaker around the pinwheels, and there is a shift in spatial-frequency tuning towards that of the closest pinwheel at non-optimal orientations. In Part II of the paper, we demonstrate that a simple feed-forward model of spatial-frequency preference, unlike that for orientation preference, does not generate a faithful representation when amplified by recurrent interactions in V1. We then introduce the idea that cortico-geniculate feedback modulates LGN activity to generate a faithful representation, thus providing a new functional interpretation of the role of this feedback pathway. Using linear filter theory, we show that if the feedback from a cortical cell is taken to be approximately equal to the reciprocal of the corresponding feed-forward receptive field (in the two-dimensional Fourier domain), then the mismatch between the feed-forward and cortical frequency representations is eliminated. We therefore predict that cortico-geniculate feedback connections innervate the LGN in a pattern determined by the orientation and spatial-frequency biases of feed-forward receptive fields. Finally, we show how recurrent cortical interactions can generate cross-orientation suppression. PMID:14561324

Infrared astronomical satellite (IRAS) catalogs and atlases. Volume 1: Explanatory supplement

NASA Technical Reports Server (NTRS)

Beichman, C. A. (Editor); Neugebauer, G. (Editor); Habing, H. J. (Editor); Clegg, P. E. (Editor); Chester, Thomas J. (Editor)

1988-01-01

The Infrared Astronomical Satellite (IRAS) was launched on January 26, 1983. During its 300-day mission, IRAS surveyed over 96 pct of the celestial sphere at four infrared wavelengths, centered approximately at 12, 25, 60, and 100 microns. Volume 1 describes the instrument, the mission, and data reduction.

A Sensitivity Study on the Effects of Particle Chemistry, Asphericity and Size on the Mass Extinction Efficiency of Mineral Dust in the Earth's Atmosphere: From the Near to Thermal IR

NASA Technical Reports Server (NTRS)

Hansell, R. A., Jr.; Reid, J. S.; Tsay, S. C.; Roush, T. L.; Kalashnikova, O. V.

2011-01-01

To determine a plausible range of mass extinction efficiencies (MEE) of terrestrial atmospheric dust from the near to thermal IR, sensitivity analyses are performed over an extended range of dust microphysical and chemistry perturbations. The IR values are subsequently compared to those in the near-IR, to evaluate spectral relationships in their optical properties. Synthesized size distributions consistent with measurements, model particle size, while composition is defined by the refractive indices of minerals routinely observed in dust, including the widely used OPAC/Hess parameterization. Single-scattering properties of representative dust particle shapes are calculated using the T-matrix, Discrete Dipole Approximation and Lorenz-Mie light-scattering codes. For the parameterizations examined, MEE ranges from nearly zero to 1.2 square meters per gram, with the higher values associated with non-spheres composed of quartz and gypsum. At near-IR wavelengths, MEE for non-spheres generally exceeds those for spheres, while in the thermal IR, shape-induced changes in MEE strongly depend on volume median diameter (VMD) and wavelength, particularly for MEE evaluated at the mineral resonant frequencies. MEE spectral distributions appear to follow particle geometry and are evidence for shape dependency in the optical properties. It is also shown that non-spheres best reproduce the positions of prominent absorption peaks found in silicates. Generally, angular particles exhibit wider and more symmetric MEE spectral distribution patterns from 8-10 micrometers than those with smooth surfaces, likely due to their edge-effects. Lastly, MEE ratios allow for inferring dust optical properties across the visible-IR spectrum. We conclude the MEE of dust aerosol are significant for the parameter space investigated, and are a key component for remote sensing applications and the study of direct aerosol radiative effects.

Hyperfine coupling constants on inner-sphere water molecules of Gd(III)-based MRI contrast agents.

PubMed

Esteban-Gómez, David; de Blas, Andrés; Rodríguez-Blas, Teresa; Helm, Lothar; Platas-Iglesias, Carlos

2012-11-12

Herein we present a theoretical investigation of the hyperfine coupling constants (HFCCs) on the inner-sphere water molecules of [Gd(H(2)O)(8)](3+) and different Gd(III)-based magnetic resonance imaging contrast agents such as [Gd(DOTA)(H(2)O)](-), [Gd(DTPA)(H(2)O)](2-), [Gd(DTPA-BMA)(H(2)O)] and [Gd(HP-DO3A)(H(2)O)]. DFT calculations performed on the [Gd(H(2)O)(8)](3+) model system show that both hybrid-GGA functionals (BH&HLYP, B3PW91 and PBE1PBE) and the hybrid meta-GGA functional TPSSh provide (17)O HFCCs in close agreement with the experimental data. The use of all-electron relativistic approaches based on the DKH2 approximation and the use of relativistic effective core potentials (RECP) provide results of essentially the same quality. The accurate calculation of HFCCs on the [Gd(DOTA)(H(2)O)](-), [Gd(DTPA)(H(2)O)](2-), [Gd(DTPA-BMA)(H(2)O)] and [Gd(HP-DO3A)(H(2)O)] complexes requires an adequate description of solvent effects. This was achieved by using a mixed cluster/continuum approach that includes explicitly two second-sphere water molecules. The calculated isotropic (17)O HFCCs (A(iso)) fall within the range 0.40-0.56 MHz, and show deviations from the corresponding experimental values typically lower than 0.05 MHz. The A(iso) values are significantly affected by the distance between the oxygen atom of the coordinated water molecule and the Gd(III) ion, as well as by the orientation of the water molecule plane with respect to the Gd-O vector. (1)H HFCCs of coordinated water molecules and (17)O HFCCs of second-sphere water molecules take values close to zero. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Stem/progenitor cells derived from the cochlear sensory epithelium give rise to spheres with distinct morphologies and features.

PubMed

Diensthuber, Marc; Oshima, Kazuo; Heller, Stefan

2009-06-01

Nonmammalian vertebrates regenerate lost sensory hair cells by means of asymmetric division of supporting cells. Inner ear or lateral line supporting cells in birds, amphibians, and fish consequently serve as bona fide stem cells resulting in high regenerative capacity of hair cell-bearing organs. Hair cell regeneration does not happen in the mammalian cochlea, but cells with proliferative capacity can be isolated from the neonatal cochlea. These cells have the ability to form clonal floating colonies, so-called spheres, when cultured in nonadherent conditions. We noticed that the sphere population derived from mouse cochlear sensory epithelium cells was heterogeneous, consisting of morphologically distinct sphere types, hereby classified as solid, transitional, and hollow. Cochlear sensory epithelium-derived stem/progenitor cells initially give rise to small solid spheres, which subsequently transition into hollow spheres, a change that is accompanied by epithelial differentiation of the majority of sphere cells. Only solid spheres, and to a lesser extent, transitional spheres, appeared to harbor self-renewing stem cells, whereas hollow spheres could not be consistently propagated. Solid spheres contained significantly more rapidly cycling Pax-2-expressing presumptive otic progenitor cells than hollow spheres. Islet-1, which becomes upregulated in nascent sensory patches, was also more abundant in solid than in hollow spheres. Likewise, hair cell-like cells, characterized by the expression of multiple hair cell markers, differentiated in significantly higher numbers in cell populations derived from solid spheres. We conclude that cochlear sensory epithelium cell populations initially give rise to small solid spheres that have self-renewing capacity before they subsequently convert into hollow spheres, a process that is accompanied by loss of stemness and reduced ability to spontaneously give rise to hair cell-like cells. Solid spheres might, therefore, represent the most suitable sphere type for cell-based assays or animal model transplantation studies aimed at development of cell replacement therapies.

Structure and thermodynamics of a simple fluid

NASA Astrophysics Data System (ADS)

Stell, G.; Weis, J. J.

1980-02-01

Monte Carlo results are found for a simple fluid with a pair potential consisting of a hard-sphere core and a Lennard-Jones attractive tail. They are compared with several of the most promising recent theoretical treatments of simple fluids, all of which involve the decomposition of the pair potential into a hard-sphere-core term and an attractive-tail term. This direct comparison avoids the use of a second perturbation scheme associated with softening the core, which would introduce an ambiguity in the significance of the differences found between the theoretical and Monte Carlo results. The study includes the optimized random-phase approximation (ORPA) and exponential (EXP) approximations of Andersen and Chandler, an extension of the latter approximation to nodal order three (the N3 approximation), the linear-plus-square (LIN + SQ) approximation of Høye and Stell, the renormalized hypernetted chain (RHNC) approximation of Lado, and the quadratic (QUAD) approximation suggested by second-order self-consistent Γ ordering, the lowest order of which is identical to the ORPA. As anticipated on the basis of earlier studies, it is found that the EXP approximation yields radial distribution functions and structure factors of excellent overall accuracy in the liquid state, where the RHNC results are also excellent and the EXP, QUAD, and LIN + SQ results prove to be virtually indistinguishable from one another. For all the approximations, however, the thermodynamics from the compressibility relation are poor and the virial-theorem results are not uniformly reliable. Somewhat more surprisingly, it is found that the EXP results yield a negative structure factor S(k) for very small k in the liquid state and poor radial distribution functions at low densities. The RHNC results are nowhere worse than the EXP results and in some states (e.g., at low densities) much better. In contrast, the N3 results are better in some respects than the EXP results but worse in others. The authors briefly comment on the RHNC and EXP approximations applied to the full Lennard-Jones potential, for which the EXP approximation appears somewhat improved in the liquid state as a result of the softening of the potential core.

A Maneuvering Flight Noise Model for Helicopter Mission Planning

NASA Technical Reports Server (NTRS)

Greenwood, Eric; Rau, Robert; May, Benjamin; Hobbs, Christopher

2015-01-01

A new model for estimating the noise radiation during maneuvering flight is developed in this paper. The model applies the Quasi-Static Acoustic Mapping (Q-SAM) method to a database of acoustic spheres generated using the Fundamental Rotorcraft Acoustics Modeling from Experiments (FRAME) technique. A method is developed to generate a realistic flight trajectory from a limited set of waypoints and is used to calculate the quasi-static operating condition and corresponding acoustic sphere for the vehicle throughout the maneuver. By using a previously computed database of acoustic spheres, the acoustic impact of proposed helicopter operations can be rapidly predicted for use in mission-planning. The resulting FRAME-QS model is applied to near-horizon noise measurements collected for the Bell 430 helicopter undergoing transient pitch up and roll maneuvers, with good agreement between the measured data and the FRAME-QS model.

Chemistry Simulations using the MERRA-2 Reanalysis with the GMI CTM and Replay in Support of the Atmospheric Composition Community

NASA Technical Reports Server (NTRS)

Oman, Luke D.; Strahan, Susan E.

2017-01-01

Simulations using reanalysis meteorological fields have long been used to understand the causes of atmospheric composition change in the recent past. Using the new MERRA-2 reanalysis, we are conducting chemistry simulations to create products covering 1980-2016 for the atmospheric composition community. These simulations use the Global Modeling Initiative (GMI) chemical mechanism in two different models: the GMI Chemical Transport Model (CTM) and the GEOS-5 model in Replay mode. Replay mode means an integration of the GEOS-5 general circulation model that is incrementally adjusted each time step toward the MERRA-2 reanalysis. The GMI CTM is a 1 deg x 1.25 deg simulation and the MERRA-2 GMI Replay simulation uses the native MERRA-2 grid of approximately 1/2 deg horizontal resolution on the cubed sphere. A specialized set of transport diagnostics is included in both runs to better understand trace gas transport and its variability in the recent past.

Doxycycline delivery from PLGA microspheres prepared by a modified solvent removal method.

PubMed

Patel, Roshni S; Cho, Daniel Y; Tian, Cheng; Chang, Amy; Estrellas, Kenneth M; Lavin, Danya; Furtado, Stacia; Mathiowitz, Edith

2012-01-01

We report on the development of a modified solvent removal method for the encapsulation of hydrophilic drugs within poly(lactic-co-glycolic acid) (PLGA). Using a water/oil/oil double emulsion, hydrophilic doxycycline was encapsulated within PLGA spheres with particle diameters ranging from approximately 600 nm to 19 µm. Encapsulation efficiencies of up to 74% were achieved for theoretical loadings from 1% to 10% (w/w), with biphasic release over 85 days with nearly complete release at the end of this time course. About 1% salt was added to the formulations to examine its effects on doxycycline release; salt modulated release only by increasing the magnitude of initial release without altering kinetics. Fourier transform infrared spectroscopy indicated no characteristic differences between doxycycline-loaded and control spheres. Differential scanning calorimetry and X-ray diffraction suggest that there may be a molecular dispersion of the doxycycline within the spheres and the doxycycline may be in an amorphous state, which could explain the slow, prolonged release of the drug.

Negative optical spin torque wrench of a non-diffracting non-paraxial fractional Bessel vortex beam

NASA Astrophysics Data System (ADS)

Mitri, F. G.

2016-10-01

An absorptive Rayleigh dielectric sphere in a non-diffracting non-paraxial fractional Bessel vortex beam experiences a spin torque. The axial and transverse radiation spin torque components are evaluated in the dipole approximation using the radiative correction of the electric field. Particular emphasis is given on the polarization as well as changing the topological charge α and the half-cone angle of the beam. When α is zero, the axial spin torque component vanishes. However, when α becomes a real positive number, the vortex beam induces left-handed (negative) axial spin torque as the sphere shifts off-axially from the center of the beam. The results show that a non-diffracting non-paraxial fractional Bessel vortex beam is capable of inducing a spin reversal of an absorptive Rayleigh sphere placed arbitrarily in its path. Potential applications are yet to be explored in particle manipulation, rotation in optical tweezers, optical tractor beams, and the design of optically-engineered metamaterials to name a few areas.

The shape of CMB temperature and polarization peaks on the sphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marcos-Caballero, A.; Fernández-Cobos, R.; Martínez-González, E.

2016-04-01

We present a theoretical study of CMB temperature peaks, including its effect over the polarization field, and allowing nonzero eccentricity. The formalism is developed in harmonic space and using the covariant derivative on the sphere, which guarantees that the expressions obtained are completely valid at large scales (i.e., no flat approximation). The expected patterns induced by the peak, either in temperature or polarization, are calculated, as well as their covariances. It is found that the eccentricity introduces a quadrupolar dependence in the peak shape, which is proportional to a complex bias parameter b {sub ε}, characterizing the peak asymmetry andmore » orientation. In addition, the one-point statistics of the variables defining the peak on the sphere is reviewed, finding some differences with respect to the flat case for large peaks. Finally, we present a mechanism to simulate constrained CMB maps with a particular peak on the field, which is an interesting tool for analysing the statistical properties of the peaks present in the data.« less

Acoustic scattering by arbitrary distributions of disjoint, homogeneous cylinders or spheres.

PubMed

Hesford, Andrew J; Astheimer, Jeffrey P; Waag, Robert C

2010-05-01

A T-matrix formulation is presented to compute acoustic scattering from arbitrary, disjoint distributions of cylinders or spheres, each with arbitrary, uniform acoustic properties. The generalized approach exploits the similarities in these scattering problems to present a single system of equations that is easily specialized to cylindrical or spherical scatterers. By employing field expansions based on orthogonal harmonic functions, continuity of pressure and normal particle velocity are directly enforced at each scatterer using diagonal, analytic expressions to eliminate the need for integral equations. The effect of a cylinder or sphere that encloses all other scatterers is simulated with an outer iterative procedure that decouples the inner-object solution from the effect of the enclosing object to improve computational efficiency when interactions among the interior objects are significant. Numerical results establish the validity and efficiency of the outer iteration procedure for nested objects. Two- and three-dimensional methods that employ this outer iteration are used to measure and characterize the accuracy of two-dimensional approximations to three-dimensional scattering of elevation-focused beams.

Sedimentation of a sphere in a fluid channel

NASA Astrophysics Data System (ADS)

Pitois, Olivier; Fritz, Christelle; Pasol, Laurentiu; Vignes-Adler, Michèle

2009-10-01

We studied both experimentally and numerically the sedimentation velocity of small solid particles through liquid channels merging at the intersection of three soap films. The wall mobility induces a nontrivial behavior for the particle drag coefficient, providing particular transport properties that are not observed for channels with rigid walls. It is shown that for sufficiently small particles, slow and fast motions are observed for the particle along the channel, depending on the particle position within the channel cross section and the sphere/channel size ratio. The velocity corresponding to fast motions can be as high as twice the Stokes velocity in an unbounded fluid. Moreover, the fast motions are not observed anymore when the size ratio exceeds a critical value, which has been found to be approximately equal to 0.5. As another major difference with the solid wall channel, the sphere velocity does not vanish when the size ratio reaches unity. Instead, the smallest value is found to be 1/4 of the Stokes velocity.

Assembly of hard spheres in a cylinder: a computational and experimental study.

PubMed

Fu, Lin; Bian, Ce; Shields, C Wyatt; Cruz, Daniela F; López, Gabriel P; Charbonneau, Patrick

2017-05-14

Hard spheres are an important benchmark of our understanding of natural and synthetic systems. In this work, colloidal experiments and Monte Carlo simulations examine the equilibrium and out-of-equilibrium assembly of hard spheres of diameter σ within cylinders of diameter σ≤D≤ 2.82σ. Although phase transitions formally do not exist in such systems, marked structural crossovers can nonetheless be observed. Over this range of D, we find in simulations that structural crossovers echo the structural changes in the sequence of densest packings. We also observe that the out-of-equilibrium self-assembly depends on the compression rate. Slow compression approximates equilibrium results, while fast compression can skip intermediate structures. Crossovers for which no continuous line-slip exists are found to be dynamically unfavorable, which is the main source of this difference. Results from colloidal sedimentation experiments at low diffusion rate are found to be consistent with the results of fast compressions, as long as appropriate boundary conditions are used.

Surface phenomena and the evolution of radiating fluid spheres in general relativity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Herrera, L.; Jimenez, J.; Esculpi, M.

1989-10-01

A method used to study the evolution of radiating spheres (Herrera, Jimenez, and Ruggeri) is extended to the case in which surface phenomena are taken into account. The equations have been integrated numerically for a model derived from the Schwarzschild interior solution, bringing out the effects of surface tension on the evolution of the spheres. 17 refs.

Ecological Systems Theory: Using Spheres of Influence to Support Small-unit Climate and Training

DTIC Science & Technology

2016-03-01

identifying the model’s elements and influential individuals, define spheres of influence and construct a model that details the ecological systems...Research Report 1997 Ecological Systems Theory: Using Spheres of Influence to Support Small-unit Climate and Training...Technical review by: Sena Garven, U.S. Army Research Institute Michael D. Wood , Walter Reed Army Institute of Research

Numerical investigation on the Ångström exponent of black carbon aerosol

NASA Astrophysics Data System (ADS)

Li, Ji; Liu, Chao; Yin, Yan; Kumar, K. Raghavendra

2016-04-01

Black carbon (BC) plays an important role on the global and regional climate, whereas there are significant uncertainties on its optical properties. Among various optical properties, the Ångström exponent (AE) indicates the spectral variation of the particle-optic interaction and is widely used to understand the aerosol properties. We consider the influence of BC geometry on its optical properties and assess the sensitivity of the AE to particle geometry and size distribution. The fractal aggregates with different fractal dimensions are used to represent realistic BC particles, and popular equivalent volume spherical and spheroidal models are also considered for comparison. Even if the fractal aggregates become highly compact and spherical, their optical properties are still significantly different from those of equivalent volume spheres or spheroids. Meanwhile, the Rayleigh-Debye-Gans approximation can hardly provide accurate results for all optical quantities of aggregates with different dimensions. The extinction Ångström exponent (EAE) and absorption Ångström exponent (AAE) are sensitive to both particle geometry and size distribution. With BC becoming more compact (from fractal aggregate to spheroid and to sphere), the AE becomes more sensitive to particle size distribution. The EAE and AAE of aggregates with different size distributions vary between 1.10-1.63 and 0.87-1.50, respectively, whereas those of the spheres or spheroids have wider ranges. Furthermore, the AE at smaller wavelengths (between 0.35 µm and 0.55 µm) is more sensitive to geometry and size distribution than that given by optical properties at larger wavelengths (between 0.55 µm and 0.88 µm).

Monte Carlo simulation of Hamaker nanospheres coated with dipolar particles

NASA Astrophysics Data System (ADS)

Meyra, Ariel G.; Zarragoicoechea, Guillermo J.; Kuz, Victor A.

2012-01-01

Parallel tempering Monte Carlo simulation is carried out in systems of N attractive Hamaker spheres dressed with n dipolar particles, able to move on the surface of the spheres. Different cluster configurations emerge for given values of the control parameters. Energy per sphere, pair distribution functions of spheres and dipoles as function of temperature, density, external electric field, and/or the angular orientation of dipoles are used to analyse the state of aggregation of the system. As a consequence of the non-central interaction, the model predicts complex structures like self-assembly of spheres by a double crown of dipoles. This interesting result could be of help in understanding some recent experiments in colloidal science and biology.

Probability of lensing magnification by cosmologically distributed galaxies

NASA Technical Reports Server (NTRS)

Pei, Yichuan C.

1993-01-01

We present the analytical formulae for computing the magnification probability caused by cosmologically distributed galaxies. The galaxies are assumed to be singular, truncated-isothermal spheres without both evolution and clustering in redshift. We find that, for a fixed total mass, extended galaxies produce a broader shape in the magnification probability distribution and hence are less efficient as gravitational lenses than compact galaxies. The high-magnification tail caused by large galaxies is well approximated by an A exp -3 form, while the tail by small galaxies is slightly shallower. The mean magnification as a function of redshift is, however, found to be independent of the size of the lensing galaxies. In terms of the flux conservation, our formulae for the isothermal galaxy model predict a mean magnification to within a few percent with the Dyer-Roeder model of a clumpy universe.

An efficient computational method for the approximate solution of nonlinear Lane-Emden type equations arising in astrophysics

NASA Astrophysics Data System (ADS)

Singh, Harendra

2018-04-01

The key purpose of this article is to introduce an efficient computational method for the approximate solution of the homogeneous as well as non-homogeneous nonlinear Lane-Emden type equations. Using proposed computational method given nonlinear equation is converted into a set of nonlinear algebraic equations whose solution gives the approximate solution to the Lane-Emden type equation. Various nonlinear cases of Lane-Emden type equations like standard Lane-Emden equation, the isothermal gas spheres equation and white-dwarf equation are discussed. Results are compared with some well-known numerical methods and it is observed that our results are more accurate.

Infrared astronomical satellite (IRAS) catalogs and atlases. Volume 7: The small scale structure catalog

NASA Technical Reports Server (NTRS)

Helou, George (Editor); Walker, D. W. (Editor)

1988-01-01

The Infrared Astronomical Satellite (IRAS) was launched January 26, 1983. During its 300-day mission, it surveyed over 96 pct of the celestial sphere at four infrared wavelengths, centered approximately at 12, 25, 60, and 100 microns. Volume 1 describes the instrument, the mission, and the data reduction process. Volumes 2 through 6 present the observations of the approximately 245,000 individual point sources detected by IRAS; each volume gives sources within a specified range of declination. Volume 7 gives the observations of the approximately 16,000 sources spatially resolved by IRAS and smaller than 8'. This is Volume 7, The Small Scale Structure Catalog.

Systematic investigation of non-Boussinesq effects in variable-density groundwater flow simulations.

PubMed

Guevara Morel, Carlos R; van Reeuwijk, Maarten; Graf, Thomas

2015-12-01

The validity of three mathematical models describing variable-density groundwater flow is systematically evaluated: (i) a model which invokes the Oberbeck-Boussinesq approximation (OB approximation), (ii) a model of intermediate complexity (NOB1) and (iii) a model which solves the full set of equations (NOB2). The NOB1 and NOB2 descriptions have been added to the HydroGeoSphere (HGS) model, which originally contained an implementation of the OB description. We define the Boussinesq parameter ερ=βω Δω where βω is the solutal expansivity and Δω is the characteristic difference in solute mass fraction. The Boussinesq parameter ερ is used to systematically investigate three flow scenarios covering a range of free and mixed convection problems: 1) the low Rayleigh number Elder problem (Van Reeuwijk et al., 2009), 2) a convective fingering problem (Xie et al., 2011) and 3) a mixed convective problem (Schincariol et al., 1994). Results indicate that small density differences (ερ≤ 0.05) produce no apparent changes in the total solute mass in the system, plume penetration depth, center of mass and mass flux independent of the mathematical model used. Deviations between OB, NOB1 and NOB2 occur for large density differences (ερ>0.12), where lower description levels will underestimate the vertical plume position and overestimate mass flux. Based on the cases considered here, we suggest the following guidelines for saline convection: the OB approximation is valid for cases with ερ<0.05, and the full NOB set of equations needs to be used for cases with ερ>0.10. Whether NOB effects are important in the intermediate region differ from case to case. Copyright © 2015 Elsevier B.V. All rights reserved.

Resonance scattering of a dielectric sphere illuminated by electromagnetic Bessel non-diffracting (vortex) beams with arbitrary incidence and selective polarizations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mitri, F.G., E-mail: F.G.Mitri@ieee.org; Li, R.X., E-mail: rxli@mail.xidian.edu.cn; Collaborative Innovation Center of Information Sensing and Understanding, Xidian University, Xi’an 710071

A complete description of vector Bessel (vortex) beams in the context of the generalized Lorenz–Mie theory (GLMT) for the electromagnetic (EM) resonance scattering by a dielectric sphere is presented, using the method of separation of variables and the subtraction of a non-resonant background (corresponding to a perfectly conducting sphere of the same size) from the standard Mie scattering coefficients. Unlike the conventional results of standard optical radiation, the resonance scattering of a dielectric sphere in air in the field of EM Bessel beams is examined and demonstrated with particular emphasis on the EM field’s polarization and beam order (or topologicalmore » charge). Linear, circular, radial, azimuthal polarizations as well as unpolarized Bessel vortex beams are considered. The conditions required for the resonance scattering are analyzed, stemming from the vectorial description of the EM field using the angular spectrum decomposition, the derivation of the beam-shape coefficients (BSCs) using the integral localized approximation (ILA) and Neumann–Graf’s addition theorem, and the determination of the scattering coefficients of the sphere using Debye series. In contrast with the standard scattering theory, the resonance method presented here allows the quantitative description of the scattering using Debye series by separating diffraction effects from the external and internal reflections from the sphere. Furthermore, the analysis is extended to include rainbow formation in Bessel beams and the derivation of a generalized formula for the deviation angle of high-order rainbows. Potential applications for this analysis include Bessel beam-based laser imaging spectroscopy, atom cooling and quantum optics, electromagnetic instrumentation and profilometry, optical tweezers and tractor beams, to name a few emerging areas of research.« less

SU-E-T-504: Intensity-Modulated Radiosurgery Treatments Derived by Optimizing Delivery of Sphere Packing Treatment Plans

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hermansen, M; Bova, F; John, T St.

2015-06-15

Purpose To minimize the number of monitor units required to deliver a sphere packing stereotactic radiosurgery (SRS) plan by eliminating overlaps of individual beam projections. Methods An algorithm was written in C{sup ++} to calculate SRS treatment doses using sphere packing. Three fixed beams were used to approximate each arc in a typical SRS treatment plan. For cases involving multiple isocenters, at each gantry and table angle position beams directed to individual spheres overlap to produce regions of high dose, resulting in intensity modulated beams. These high dose regions were dampened by post-processing of the combined beam profile. The post-processmore » dampening involves removing the excess overlapping fluence from all but the highest contributing beam. The dampened beam profiles at each table and gantry angle position were then summed to produce the new total dose distribution. Results Delivery times for even the most complex multiple sphere plans can be reduced to consistent times of about 20 to 30 minutes. The total MUs required to deliver the plan can also be reduced by as much as 85% of the original plan’s MUs. Conclusion Regions of high dose are removed. Dampening overlapping radiation fluence can produce the new beam profiles that have more uniform dose distributions using less MUs. This results in a treatment that requires significantly fewer intensity values than traditional IMRT or VAMT planning.« less

The angular distribution of diffusely backscattered light

NASA Astrophysics Data System (ADS)

Vera, M. U.; Durian, D. J.

1997-03-01

The diffusion approximation predicts the angular distribution of light diffusely transmitted through an opaque slab to depend only on boundary reflectivity, independent of scattering anisotropy, and this has been verified by experiment(M.U. Vera and D.J. Durian, Phys. Rev. E 53) 3215 (1996). Here, by contrast, we demonstrate that the angular distribution of diffusely backscattered light depends on scattering anisotropy as well as boundary reflectivity. To model this observation scattering anisotropy is added to the diffusion approximation by a discontinuity in the photon concentration at the source point that is proportional to the average cosine of the scattering angle. We compare the resulting predictions with random walk simulations and with measurements of diffusely backscattered intensity versus angle for glass frits and aqueous suspensions of polystyrene spheres held in air or immersed in a water bath. Increasing anisotropy and boundary reflectivity each tend to flatten the predicted distributions, and for different combinations of anisotropy and reflectivity the agreement between data and predictions ranges from qualitatively to quantitatively good.

Analysis of a hyperdeformed band of 152(66)Dy86 on the basis of a structure with two revolving clusters, each with a previously unrecognized two-tiered structure.

PubMed

Pauling, L

1994-02-01

Analysis on the basis of the two-revolving-cluster model has been made of a cascade of 11 gamma-rays constituting a hyperdeformed band of 152(66)Dy86 (or possibly 153Dy) reported by Galindo-Uribarri et al. [Galindo-Uribarri, A., et al. (1993) Phys. Rev. Lett. 73, 231-234], leading to the conclusions that the band extends from values K approximately 82-104 for the angular-momentum quantum number, that the moment of inertia is approximately 5650 Da.fm2, that the composition of the central sphere is p40n50 and that of each of the clusters is p13n18, that each of the clusters consists of two tiers of spherons, and that the radii of revolution of the inner and outer tiers have values of about 8.00 and 11.20 fm, respectively.

Analysis of a hyperdeformed band of 152(66)Dy86 on the basis of a structure with two revolving clusters, each with a previously unrecognized two-tiered structure.

PubMed Central

Pauling, L

1994-01-01

Analysis on the basis of the two-revolving-cluster model has been made of a cascade of 11 gamma-rays constituting a hyperdeformed band of 152(66)Dy86 (or possibly 153Dy) reported by Galindo-Uribarri et al. [Galindo-Uribarri, A., et al. (1993) Phys. Rev. Lett. 73, 231-234], leading to the conclusions that the band extends from values K approximately 82-104 for the angular-momentum quantum number, that the moment of inertia is approximately 5650 Da.fm2, that the composition of the central sphere is p40n50 and that of each of the clusters is p13n18, that each of the clusters consists of two tiers of spherons, and that the radii of revolution of the inner and outer tiers have values of about 8.00 and 11.20 fm, respectively. PMID:11607453

Channeling by Proximity: The Catalytic Advantages of Active Site Colocalization Using Brownian Dynamics.

PubMed

Bauler, Patricia; Huber, Gary; Leyh, Thomas; McCammon, J Andrew

2010-05-06

Nature often colocalizes successive steps in a metabolic pathway. Such organization is predicted to increase the effective concentration of pathway intermediates near their recipient active sites and to enhance catalytic efficiency. Here, the pathway of a two-step reaction is modeled using a simple spherical approximation for the enzymes and substrate particles. Brownian dynamics are used to simulate the trajectory of a substrate particle as it diffuses between the active site zones of two different enzyme spheres. The results approximate distances for the most effective reaction pathways, indicating that the most effective reaction pathway is one in which the active sites are closely aligned. However, when the active sites are too close, the ability of the substrate to react with the first enzyme was hindered, suggesting that even the most efficient orientations can be improved for a system that is allowed to rotate or change orientation to optimize the likelihood of reaction at both sites.

Theoretical and experimental studies on silica-coated carbon spheres composites

NASA Astrophysics Data System (ADS)

Guo, Xingmei; Liu, Haixing; Shen, Yinghua; Niu, Mei; Yang, Yongzhen; Liu, Xuguang

2013-10-01

In order to prepare carbon-based photonic crystals, first of all, theoretical modeling calculation was used to predict the bandgap characteristics of silica-coated carbon spheres. Then, silica-coated carbon spheres composites were synthesized using tetraethyl orthosilicate as precursor of silica by a sol-gel method combined with Stöber method. Effect of reaction conditions on surface coating of carbon spheres with silica, including the pH, the amount of precursor and reaction time, was emphasized. The morphology and structure of the composites and the effect coating of carbon spheres with silica were characterized by field-emission scanning electron microscopy, high resolution transmission electron microscopy and Fourier-transform infrared spectrometry. The coating ratio of silica was investigated by thermogravimetry. The results show that pH value played an important role in coating reaction, the dosage of the precursor and reaction time had significant effect on coating layer thickness, that is, coating ratio. Carbon spheres coated with silica had good dispersibility and dispersion stability in water and ethanol, which is preconditions of reactivity of carbon spheres in liquid phase and lays the basis for the application of carbon spheres.

Drag crisis moderation by thin air layers sustained on superhydrophobic spheres falling in water.

PubMed

Jetly, Aditya; Vakarelski, Ivan U; Thoroddsen, Sigurdur T

2018-02-28

We investigate the effect of thin air layers naturally sustained on superhydrophobic surfaces on the terminal velocity and drag force of metallic spheres free falling in water. The surface of 20 mm to 60 mm steel or tungsten-carbide spheres is rendered superhydrophobic by a simple coating process that uses a commercially available hydrophobic agent. By comparing the free fall of unmodified spheres and superhydrophobic spheres in a 2.5 meter tall water tank, it is demonstrated that even a very thin air layer (∼1-2 μm) that covers the freshly dipped superhydrophobic sphere can reduce the drag force on the spheres by up to 80%, at Reynolds numbers from 10 5 to 3 × 10 5 , owing to an early drag crisis transition. This study complements prior investigations on the drag reduction efficiency of model gas layers sustained on heated metal spheres falling in liquid by the Leidenfrost effect. The drag reduction effects are expected to have significant implications for the development of sustainable air-layer-based energy saving technologies.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Versino, Daniele; Bronkhorst, Curt Allan

The computational formulation of a micro-mechanical material model for the dynamic failure of ductile metals is presented in this paper. The statistical nature of porosity initiation is accounted for by introducing an arbitrary probability density function which describes the pores nucleation pressures. Each micropore within the representative volume element is modeled as a thick spherical shell made of plastically incompressible material. The treatment of porosity by a distribution of thick-walled spheres also allows for the inclusion of micro-inertia effects under conditions of shock and dynamic loading. The second order ordinary differential equation governing the microscopic porosity evolution is solved withmore » a robust implicit procedure. A new Chebyshev collocation method is employed to approximate the porosity distribution and remapping is used to optimize memory usage. The adaptive approximation of the porosity distribution leads to a reduction of computational time and memory usage of up to two orders of magnitude. Moreover, the proposed model affords consistent performance: changing the nucleation pressure probability density function and/or the applied strain rate does not reduce accuracy or computational efficiency of the material model. The numerical performance of the model and algorithms presented is tested against three problems for high density tantalum: single void, one-dimensional uniaxial strain, and two-dimensional plate impact. Here, the results using the integration and algorithmic advances suggest a significant improvement in computational efficiency and accuracy over previous treatments for dynamic loading conditions.« less

Development of a picture of the van der Waals interaction energy between clusters of nanometer-range particles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arunachalam, V.; Marlow, W.H.; Lu, J.X.

1998-09-01

The importance of the long-range Lifshitz{endash}van der Waals interaction energy between condensed bodies is well known. However, its implementation for interacting bodies that are highly irregular and separated by distances varying from contact to micrometers has received little attention. As part of a study of collisions of irregular aerosol particles, an approach based on the Lifshitz theory of van der Waals interaction has been developed to compute the interaction energy between a sphere and an aggregate of spheres at all separations. In the first part of this study, the iterated sum-over-dipole interactions between pairs of approximately spherical molecular clusters aremore » compared with the Lifshitz and Lifshitz-Hamaker interaction energies for continuum spheres of radii equal to those of the clusters{close_quote} circumscribed spheres and of the same masses as the clusters. The Lifshitz energy is shown to converge to the iterated dipolar energy for quasispherical molecular clusters for sufficiently large separations, while the energy calculated by using the Lifshitz-Hamaker approach does not. Next, the interaction energies between a contacting pair of these molecular clusters and a third cluster in different relative positions are calculated first by coupling all molecules in the three-cluster system and second by ignoring the interactions between the molecules of the adhering clusters. The error calculated by this omission is shown to be very small, and is an indication of the error in computing the long-range interaction energy between a pair of interacting spheres and a third sphere as a simple sum over the Lifshitz energies between individual, condensed-matter spheres. This Lifshitz energy calculation is then combined with the short-separation, nonsingular van der Waals energy calculation of Lu, Marlow, and Arunachalam, to provide an integrated picture of the van der Waals energy from large separations to contact. {copyright} {ital 1998} {ital The American Physical Society}« less

SPHERES: Design of a Formation Flying Testbed for ISS

NASA Astrophysics Data System (ADS)

Sell, S. W.; Chen, S. E.

2002-01-01

The SPHERES (Synchronized Position Hold Engage and Reorient Experimental Satellites) payload is an innovative formation-flying spacecraft testbed currently being developed for use internally aboard the International Space Station (ISS). The purpose of the testbed is to provide a cost-effective, long duration, replenishable, and easily reconfigurable platform with representative dynamics for the development and validation of metrology, formation flying, and autonomy algorithms. The testbed components consist of three 8-inch diameter free-flying "satellites," five ultrasound beacons, and an ISS laptop workstation. Each satellite is self-contained with on-board battery power, cold-gas propulsion (CO2), and processing systems. Satellites use two packs of eight standard AA batteries for approximately 90 minutes of lifetime while beacons last the duration of the mission powered by a single AA battery. The propulsion system uses pressurized carbon dioxide gas, stored in replaceable tanks, distributed through an adjustable regulator and associated tubing to twelve thrusters located on the faces of the satellites. A Texas Instruments C6701 DSP handles control algorithm data while an FPGA manages all sensor data, timing, and communication processes on the satellite. All three satellites communicate with each other and with the controlling laptop via a wireless RF link. Five ultrasound beacons, located around a predetermined work area, transmit ultrasound signals that are received by each satellite. The system effectively acts as a pseudo-GPS system, allowing the satellites to determine position and attitude and to navigate within the test arena. The payload hardware are predominantly Commercial Off The Shelf (COTS) products with the exception of custom electronics boards, selected propulsion system adaptors, and beacon and satellite structural elements. Operationally, SPHERES will run in short duration test sessions with approximately two weeks between each session. During operations, satellites will autonomously perform various maneuvers with one to three satellites operating simultaneously, involving a crew member only to upload protocols and replace satellite consumables (gas and power) during the test session. Once completed, data will be downlinked to the ground for analysis by the SPHERES team, facilitating the iterative process of new and/or modified protocols being uplinked for use in the next test session. SPHERES has prior flight experience on the NASA KC-135 Reduced Gravity aircraft and has also been in constant use in laboratory air table testing for almost two years. Slated for launch to the International Space Station on ISS12A.1, SPHERES will use its six-month flight to conduct risk-reduction investigations involving the coordinated motion of multiple satellites in a micro-gravity environment.

Exceptional arsenic (III,V) removal performance of highly porous, nanostructured ZrO2 spheres for fixed bed reactors and the full-scale system modeling.

PubMed

Cui, Hang; Su, Yu; Li, Qi; Gao, Shian; Shang, Jian Ku

2013-10-15

Highly porous, nanostructured zirconium oxide spheres were fabricated from ZrO2 nanoparticles with the assistance of agar powder to form spheres with size at millimeter level followed with a heat treatment at 450 °C to remove agar network, which provided a simple, low-cost, and safe process for the synthesis of ZrO2 spheres. These ZrO2 spheres had a dual-pore structure, in which interconnected macropores were beneficial for liquid transport and the mesopores could largely increase their surface area (about 98 m(2)/g) for effective contact with arsenic species in water. These ZrO2 spheres demonstrated an even better arsenic removal performance on both As(III) and As(V) than ZrO2 nanoparticles, and could be readily applied to commonly used fixed-bed adsorption reactors in the industry. A short bed adsorbent test was conducted to validate the calculated external mass transport coefficient and the pore diffusion coefficient. The performance of full-scale fixed bed systems with these ZrO2 spheres as the adsorber was estimated by the validated pore surface diffusion modeling. With the empty bed contact time (EBCT) at 10 min and the initial arsenic concentration at 30 ppb, the number of bed volumes that could be treated by these dry ZrO2 spheres reached ~255,000 BVs and ~271,000 BVs for As(III) and As(V), respectively, until the maximum contaminant level of 10 ppb was reached. These ZrO2 spheres are non-toxic, highly stable, and resistant to acid and alkali, have a high arsenic adsorption capacity, and could be easily adapted for various arsenic removal apparatus. Thus, these ZrO2 spheres may have a promising potential for their application in water treatment practice. Copyright © 2013 Elsevier Ltd. All rights reserved.

Greenhouse Effect: Temperature of a Metal Sphere Surrounded by a Glass Shell and Heated by Sunlight

ERIC Educational Resources Information Center

Nguyen, Phuc H.; Matzner, Richard A.

2012-01-01

We study the greenhouse effect on a model satellite consisting of a tungsten sphere surrounded by a thin spherical, concentric glass shell, with a small gap between the sphere and the shell. The system sits in vacuum and is heated by sunlight incident along the "z"-axis. This development is a generalization of the simple treatment of the…

Image method for induced surface charge from many-body system of dielectric spheres

NASA Astrophysics Data System (ADS)

Qin, Jian; de Pablo, Juan J.; Freed, Karl F.

2016-09-01

Charged dielectric spheres embedded in a dielectric medium provide the simplest model for many-body systems of polarizable ions and charged colloidal particles. We provide a multiple scattering formulation for the total electrostatic energy for such systems and demonstrate that the polarization energy can be rapidly evaluated by an image method that generalizes the image methods for conducting spheres. Individual contributions to the total electrostatic energy are ordered according to the number of polarized surfaces involved, and each additional surface polarization reduces the energy by a factor of (a/R)3ɛ, where a is the sphere radius, R the average inter-sphere separation, and ɛ the relevant dielectric mismatch at the interface. Explicit expressions are provided for both the energy and the forces acting on individual spheres, which can be readily implemented in Monte Carlo and molecular dynamics simulations of polarizable charged spheres, thereby avoiding costly computational techniques that introduce a surface charge distribution that requires numerical solution.

IImage method for induced surface charge from many-body system of dielectric spheres

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qin, Jian; de Pablo, Juan J.; Freed, Karl F.

2016-09-28

Charged dielectric spheres embedded in a dielectric medium provide the simplest model for many-body systems of polarizable ions and charged colloidal particles. We provide a multiple scattering formulation for the total electrostatic energy for such systems and demonstrate that the polarization energy can be rapidly evaluated by an image method that generalizes the image methods for conducting spheres. Individual contributions to the total electrostatic energy are ordered according to the number of polarized surfaces involved, and each additional surface polarization reduces the energy by a factor of (a/R)(3) epsilon, where a is the sphere radius, R the average inter-sphere separation,more » and. the relevant dielectric mismatch at the interface. Explicit expressions are provided for both the energy and the forces acting on individual spheres, which can be readily implemented in Monte Carlo and molecular dynamics simulations of polarizable charged spheres, thereby avoiding costly computational techniques that introduce a surface charge distribution that requires numerical solution.« less

Steady Shear Viscosities of Two Hard Sphere Colloidal Dispersions

NASA Astrophysics Data System (ADS)

Cheng, Zhengdong; Chaikin, Paul M.; Phan, See-Eng; Russel, William B.; Zhu, Jixiang

1996-03-01

Though hard spheres have the simplest inter-particle potential, the many body hydrodynamic interactions are complex and the rheological properties of dispersions are not fully understood in the concentrated regime. We studied two model systems: colloidal poly-(Methyl Methacrylate) spheres with a grafted layer of poly-(12-hydroxy stearic acid) (PMMA/PHSA) and spherical Silica particles (PST-5, Nissan Chemical Industries, Ltd, Tokyo, Japan). Steady shear viscosities were measured by a Zimm viscometer. The high shear relative viscosity of the dispersions compares well with other hard sphere systems, but the low shear relative viscosity of PMMA/PHSA dispersions is η / η 0 = 50 at φ = 0.5 , higher than η / η 0 = 22 for other hard sphere systems, consistent with recently published data (Phys. Rev. Lett. 75(1995)958). Bare Silica spheres are used to clarify the effect of the grafted layer. With the silica spheres, volume fraction can be determined independent of intrinsic viscosity measurements; also, higher concentrated dispersions can be made.

Human rights assessment in Parc Jean Marie Vincent, Port-au-Prince, Haiti.

PubMed

Cullen, Kimberly A; Ivers, Louise C

2010-12-15

Months after a 7.0 magnitude earthquake hit Port-au-Prince, Haiti, over one million remain homeless and living in spontaneous internally displaced person (IDP) camps. Billions of dollars from aid organizations and government agencies have been pledged toward the relief effort, yet many basic human needs, including food, shelter, and sanitation, continue to be unmet. The Sphere Project, "Humanitarian Charter and Minimum Standards in Disaster Response," identifies the minimum standards to be attained in disaster response. From a human rights perspective and utilizing key indicators from the Sphere Project as benchmarks, this article reports on an assessment of the living conditions approximately 12 weeks after the earthquake in Parc Jean Marie Vincent, a spontaneous IDP camp in Port-au-Prince. A stratified random sample of households in the camp, proportionate to the number of families living in each sector, was selected. Interview questions were designed to serve as "key indicators" for the Sphere Project minimum standards. A total of 486 interviews were completed, representing approximately 5% of households in each of the five sectors of the camp. Our assessment identified the relative achievements and shortcomings in the provision of relief services in Parc Jean Marie Vincent. At the time of this survey, the Sphere Project minimum standards for access to health care and quantity of water per person per day were being met. Food, shelter, sanitation, and security were below minimum accepted standard and of major concern. The formal assessment reported here was completed by September 2010, and is necessarily limited to conditions in Haiti before the cholera outbreak in October. Copyright © 2010 Cullen and Ivers. This is an open access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/3.0/), which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original author and source are credited.

Voronoi Tessellations and Their Application to Climate and Global Modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ju, Lili; Ringler, Todd; Gunzburger, Max

2011-01-01

We review the use of Voronoi tessellations for grid generation, especially on the whole sphere or in regions on the sphere. Voronoi tessellations and the corresponding Delaunay tessellations in regions and surfaces on Euclidean space are defined and properties they possess that make them well-suited for grid generation purposes are discussed, as are algorithms for their construction. This is followed by a more detailed look at one very special type of Voronoi tessellation, the centroidal Voronoi tessellation (CVT). After defining them, discussing some of their properties, and presenting algorithms for their construction, we illustrate the use of CVTs for producingmore » both quasi-uniform and variable resolution meshes in the plane and on the sphere. Finally, we briefly discuss the computational solution of model equations based on CVTs on the sphere.« less

An analytic solution for numerical modeling validation in electromagnetics: the resistive sphere

NASA Astrophysics Data System (ADS)

Swidinsky, Andrei; Liu, Lifei

2017-11-01

We derive the electromagnetic response of a resistive sphere to an electric dipole source buried in a conductive whole space. The solution consists of an infinite series of spherical Bessel functions and associated Legendre polynomials, and follows the well-studied problem of a conductive sphere buried in a resistive whole space in the presence of a magnetic dipole. Our result is particularly useful for controlled-source electromagnetic problems using a grounded electric dipole transmitter and can be used to check numerical methods of calculating the response of resistive targets (such as finite difference, finite volume, finite element and integral equation). While we elect to focus on the resistive sphere in our examples, the expressions in this paper are completely general and allow for arbitrary source frequency, sphere radius, transmitter position, receiver position and sphere/host conductivity contrast so that conductive target responses can also be checked. Commonly used mesh validation techniques consist of comparisons against other numerical codes, but such solutions may not always be reliable or readily available. Alternatively, the response of simple 1-D models can be tested against well-known whole space, half-space and layered earth solutions, but such an approach is inadequate for validating models with curved surfaces. We demonstrate that our theoretical results can be used as a complementary validation tool by comparing analytic electric fields to those calculated through a finite-element analysis; the software implementation of this infinite series solution is made available for direct and immediate application.

Results of a hubble space telescope search for natural satellites of dwarf planet 1 ceres

NASA Astrophysics Data System (ADS)

DeMario, Benjamin E.; Schmidt, Britney E.; Mutchler, Max J.; Li, Jian-Yang; McFadden, Lucy A.; McLean, Brian J.; Russell, Christopher T.

2016-12-01

In order to prepare for the arrival of the Dawn spacecraft at Ceres, a search for satellites was undertaken by the Hubble Space Telescope (HST) to enhance the mission science return and to ensure spacecraft safety. Previous satellite searches from ground-based telescopes have detected no satellites within Ceres' Hill sphere down to a size of 3 km (Gehrels et al. 1987) and early HST investigations searched to a limit of 1-2 km (Bieryla et al. 2011). The Wide Field Camera 3 (WFC3) on board the HST was used to image Ceres between 14 April-28 April 2014. These images cover approximately the inner third of Ceres' Hill sphere, where the Hill sphere is the region surrounding Ceres where stable satellite orbits are possible. We performed a deep search for possible companions orbiting Ceres. No natural companions were located down to a diameter of 48 m, over most of the Hill sphere to a distance of 205,000 km (434 Ceres radii) from the surface of Ceres. It was impossible to search all the way to the surface of Ceres because of scattered light, but at a distance of 2865 km (five Ceres radii), the search limit was determined to be 925 m.

A dynamical proximity analysis of interacting galaxy pairs

NASA Technical Reports Server (NTRS)

Chatterjee, Tapan K.

1990-01-01

Using the impulsive approximation to study the velocity changes of stars during disk-sphere collisions and a method due to Bottlinger to study the post collision orbits of stars, the formation of various types of interacting galaxies is studied as a function of the distance of closest approach between the two galaxies.

Can You Tell the Density of the Watermelon from This Photograph?

ERIC Educational Resources Information Center

Foong, See Kit; Lim, Chim Chai

2010-01-01

Based on a photograph, the density of a watermelon floating in a pail of water is estimated with different levels of simplification--with and without consideration of refraction and three-dimensional effects. The watermelon was approximated as a sphere. The results of the theoretical estimations were verified experimentally. (Contains 6 figures.)

Estimation for bilinear stochastic systems

NASA Technical Reports Server (NTRS)

Willsky, A. S.; Marcus, S. I.

1974-01-01

Three techniques for the solution of bilinear estimation problems are presented. First, finite dimensional optimal nonlinear estimators are presented for certain bilinear systems evolving on solvable and nilpotent lie groups. Then the use of harmonic analysis for estimation problems evolving on spheres and other compact manifolds is investigated. Finally, an approximate estimation technique utilizing cumulants is discussed.

How to Measure g Easily with Approximately Equal to One Ten Thousandth Precision in the Beginners' Lab.

ERIC Educational Resources Information Center

Schoch, Fritz; Winiger, Walter

1991-01-01

The data from measurements of the density of tungsten, steel, aluminum, and PVC spheres are used to extrapolate the infinite density of something such as a neutron star. An apparatus that allows for precision measurements is described. A discussion on error analysis is appended. (KR)

Relaxation of energetic S(1D) atoms in Xe gas: comparison of ab initio calculations with experimental data.

PubMed

Bovino, S; Zhang, P; Kharchenko, V; Dalgarno, A

2011-07-14

In this paper, we report our investigation of the translational energy relaxation of fast S((1)D) atoms in a Xe thermal bath. The interaction potential of Xe-S was constructed using ab initio methods. Total and differential cross sections were then calculated. The latter have been incorporated into the construction of the kernel of the Boltzmann equation describing the energy relaxation process. The solution of the Boltzmann equation was obtained and results were compared with those reported in experiments [G. Nan, and P. L. Houston, J. Chem. Phys. 97, 7865 (1992)]. Good agreement with the measured time-dependent relative velocity of fast S((1)D) atoms was obtained except at long relaxation times. The discrepancy may be due to the error accumulation caused by the use of hard sphere approximation and the Monte Carlo analysis of the experimental data. Our accurate description of the energy relaxation process led to an increase in the number of collisions required to achieve equilibrium by an order of magnitude compared to the number given by the hard-sphere approximation.

Kinetic theory of binary particles with unequal mean velocities and non-equipartition energies

NASA Astrophysics Data System (ADS)

Chen, Yanpei; Mei, Yifeng; Wang, Wei

2017-03-01

The hydrodynamic conservation equations and constitutive relations for a binary granular mixture composed of smooth, nearly elastic spheres with non-equipartition energies and different mean velocities are derived. This research is aimed to build three-dimensional kinetic theory to characterize the behaviors of two species of particles suffering different forces. The standard Enskog method is employed assuming a Maxwell velocity distribution for each species of particles. The collision components of the stress tensor and the other parameters are calculated from the zeroth- and first-order approximation. Our results demonstrate that three factors, namely the differences between two granular masses, temperatures and mean velocities all play important roles in the stress-strain relation of the binary mixture, indicating that the assumption of energy equipartition and the same mean velocity may not be acceptable. The collision frequency and the solid viscosity increase monotonously with each granular temperature. The zeroth-order approximation to the energy dissipation varies greatly with the mean velocities of both species of spheres, reaching its peak value at the maximum of their relative velocity.

The effect of complex black carbon microphysics on the determination of the optical properties of brown carbon

NASA Astrophysics Data System (ADS)

Liu, Dantong; Taylor, Jonathan W.; Young, Dominque E.; Flynn, Michael J.; Coe, Hugh; Allan, James D.

2015-01-01

of the impacts of brown carbon (BrC) requires accurate determination of its physical properties, but a model must be invoked to derive these from instrument data. Ambient measurements were made in London at a site influenced by traffic and solid fuel (principally wood) burning, apportioned by single particle soot photometer data and optical properties measured using multiwavelength photoacoustic spectroscopy. Two models were applied: a commonly used Mie model treating the particles as single-coated spheres and a Rayleigh-Debye-Gans approximation treating them as aggregates of smaller-coated monomers. The derived solid fuel BrC parameters at 405 nm were found to be highly sensitive to the model treatment, with a mass absorption cross section ranging from 0.47 to 1.81 m2/g and imaginary refractive index from 0.013 to 0.062. This demonstrates that a detailed knowledge of particle morphology must be obtained and invoked to accurately parameterize BrC properties based on aerosol phase measurements.

Statistical mechanics of light elements at high pressure. VI - Liquid-state calculations with Thomas-Fermi-Dirac theory

NASA Technical Reports Server (NTRS)

Macfarlane, J. J.

1984-01-01

A model free energy is developed for hydrogen-helium mixtures based on solid-state Thomas-Fermi-Dirac calculations at pressures relevant to the interiors of giant planets. Using a model potential similar to that for a two-component plasma, effective charges for the nuclei (which are in general smaller than the actual charges because of screening effects) are parameterized, being constrained by calculations at a number of densities, compositions, and lattice structures. These model potentials are then used to compute the equilibrium properties of H-He fluids using a charged hard-sphere model. The results find critical temperatures of about 0 K, 500 K, and 1500 K, for pressures of 10, 100, and 1000 Mbar, respectively. These phase separation temperatures are considerably lower (approximately 6,000-10,000 K) than those found from calculations using free electron perturbation theory, and suggest that H-He solutions should be stable against phase separation in the metallic zones of Jupiter and Saturn.

Communication: From close-packed to topologically close-packed: Formation of Laves phases in moderately polydisperse hard-sphere mixtures

NASA Astrophysics Data System (ADS)

Lindquist, Beth A.; Jadrich, Ryan B.; Truskett, Thomas M.

2018-05-01

Particle size polydispersity can help to inhibit crystallization of the hard-sphere fluid into close-packed structures at high packing fractions and thus is often employed to create model glass-forming systems. Nonetheless, it is known that hard-sphere mixtures with modest polydispersity still have ordered ground states. Here, we demonstrate by computer simulation that hard-sphere mixtures with increased polydispersity fractionate on the basis of particle size and a bimodal subpopulation favors the formation of topologically close-packed C14 and C15 Laves phases in coexistence with a disordered phase. The generality of this result is supported by simulations of hard-sphere mixtures with particle-size distributions of four different forms.

Positron confinement in embedded lithium nanoclusters

NASA Astrophysics Data System (ADS)

van Huis, M. A.; van Veen, A.; Schut, H.; Falub, C. V.; Eijt, S. W.; Mijnarends, P. E.; Kuriplach, J.

2002-02-01

Quantum confinement of positrons in nanoclusters offers the opportunity to obtain detailed information on the electronic structure of nanoclusters by application of positron annihilation spectroscopy techniques. In this work, positron confinement is investigated in lithium nanoclusters embedded in monocrystalline MgO. These nanoclusters were created by means of ion implantation and subsequent annealing. It was found from the results of Doppler broadening positron beam analysis that approximately 92% of the implanted positrons annihilate in lithium nanoclusters rather than in the embedding MgO, while the local fraction of lithium at the implantation depth is only 1.3 at. %. The results of two-dimensional angular correlation of annihilation radiation confirm the presence of crystalline bulk lithium. The confinement of positrons is ascribed to the difference in positron affinity between lithium and MgO. The nanocluster acts as a potential well for positrons, where the depth of the potential well is equal to the difference in the positron affinities of lithium and MgO. These affinities were calculated using the linear muffin-tin orbital atomic sphere approximation method. This yields a positronic potential step at the MgO||Li interface of 1.8 eV using the generalized gradient approximation and 2.8 eV using the insulator model.

Radiative properties of flame-generated soot

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koeylue, U.O.; Faeth, G.M.

1993-05-01

Approximate methods for estimating the optical properties of flame-generated soot aggregates were evaluated using existing computer simulations and measurements in the visible and near-infrared portions of the spectrum. The following approximate methods were evaluated for both individual aggregates and polydisperse aggregate populations: the Rayleigh scattering approximation, Mie scattering for an equivalent sphere, and Rayleigh-Debye-Gans (R-D-G) scattering for both given and fractal aggregates. Results of computer simulations involved both prescribed aggregate geometry and numerically generated aggregates by cluster-cluster aggregation; multiple scattering was considered exactly using the mean-field approximation, and ignored using the R-D-G approximation. Measurements involved the angular scattering properties ofmore » soot in the postflame regions of both premixed and nonpremixed flames. The results show that available computer simulations and measurements of soot aggregate optical properties are not adequate to provide a definitive evaluation of the approximate prediction methods. 40 refs., 7 figs., 1 tab.« less

Dynamical tachyons on fuzzy spheres

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berenstein, David; Institute for Advanced Study, School of Natural Science, Princeton, New Jersey 08540; Trancanelli, Diego

2011-05-15

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

On the use temperature parameterized rate coefficients in the estimation of non-equilibrium reaction rates

NASA Astrophysics Data System (ADS)

Shizgal, Bernie D.; Chikhaoui, Aziz

2006-06-01

The present paper considers a detailed analysis of the nonequilibrium effects for a model reactive system with the Chapman-Eskog (CE) solution of the Boltzmann equation as well as an explicit time dependent solution. The elastic cross sections employed are a hard sphere cross section and the Maxwell molecule cross section. Reactive cross sections which model reactions with and without activation energy are used. A detailed comparison is carried out with these solutions of the Boltzmann equation and the approximation introduced by Cukrowski and coworkers [J. Chem. Phys. 97 (1992) 9086; Chem. Phys. 89 (1992) 159; Physica A 188 (1992) 344; Chem. Phys. Lett. A 297 (1998) 402; Physica A 275 (2000) 134; Chem. Phys. Lett. 341 (2001) 585; Acta Phys. Polonica B 334 (2003) 3607.] based on the temperature of the reactive particles. We show that the Cukrowski approximation has limited applicability for the large class of reactive systems studied in this paper. The explicit time dependent solutions of the Boltzmann equation demonstrate that the CE approach is valid only for very slow reactions for which the corrections to the equilibrium rate coefficient are very small.

A study of density effects in plasmas using analytical approximations for the self-consistent potential

NASA Astrophysics Data System (ADS)

Poirier, M.

2015-06-01

Density effects in ionized matter require particular attention since they modify energies, wavefunctions and transition rates with respect to the isolated-ion situation. The approach chosen in this paper is based on the ion-sphere model involving a Thomas-Fermi-like description for free electrons, the bound electrons being described by a full quantum mechanical formalism. This permits to deal with plasmas out of thermal local equilibrium, assuming only a Maxwell distribution for free electrons. For H-like ions, such a theory provides simple and rather accurate analytical approximations for the potential created by free electrons. Emphasis is put on the plasma potential rather than on the electron density, since the energies and wavefunctions depend directly on this potential. Beyond the uniform electron gas model, temperature effects may be analyzed. In the case of H-like ions, this formalism provides analytical perturbative expressions for the energies, wavefunctions and transition rates. Explicit expressions are given in the case of maximum orbital quantum number, and compare satisfactorily with results from a direct integration of the radial Schrödinger equation. Some formulas for lower orbital quantum numbers are also proposed.

Kinetic Temperature and Carbon Dioxide from Broadband Infrared Limb Emission Measurements Taken from the TIMED/SABER Instrument

NASA Technical Reports Server (NTRS)

Mertens, Christopher J.; Russell III, James M.; Mlynczak, Martin G.; She, Chiao-Yao; Schmidlin, Francis J.; Goldberg, Richard A.; Lopez-Puertas, Manuel; Wintersteiner, Peter P.; Picard, Richard H.; Winick, Jeremy R.;

Transient rolling friction model for discrete element simulations of sphere assemblies

NASA Astrophysics Data System (ADS)

Kuhn, Matthew R.

2014-03-01

The rolling resistance between a pair of contacting particles can be modeled with two mechanisms. The first mechanism, already widely addressed in the DEM literature, involves a contact moment between the particles. The second mechanism involves a reduction of the tangential contact force, but without a contact moment. This type of rotational resistance, termed creep-friction, is the subject of the paper. Within the creep-friction literature, the term “creep” does not mean a viscous mechanism, but rather connotes a slight slip that accompanies rolling. Two extremes of particle motions bound the range of creep-friction behaviors: a pure tangential translation is modeled as a Cattaneo-Mindlin interaction, whereas prolonged steady-state rolling corresponds to the traditional wheel-rail problem described by Carter, Poritsky, and others. DEM simulations, however, are dominated by the transient creep-friction rolling conditions that lie between these two extremes. A simplified model is proposed for the three-dimensional transient creep-friction rolling of two spheres. The model is an extension of the work of Dahlberg and Alfredsson, who studied the two-dimensional interactions of disks. The proposed model is applied to two different systems: a pair of spheres and a large dense assembly of spheres. Although creep-friction can reduce the tangential contact force that would otherwise be predicted with Cattaneo-Mindlin theory, a significant force reduction occurs only when the rate of rolling is much greater than the rate of translational sliding and only after a sustained period of rolling. When applied to the deviatoric loading of an assembly of spheres, the proposed creep-friction model has minimal effect on macroscopic strength or stiffness. At the micro-scale of individual contacts, creep-friction does have a modest influence on the incremental contact behavior, although the aggregate effect on the assembly's behavior is minimal.

Analyzing and modeling gravity and magnetic anomalies using the SPHERE program and Magsat data

NASA Technical Reports Server (NTRS)

Braile, L. W.; Hinze, W. J.; Vonfrese, R. R. B. (Principal Investigator)

1981-01-01

Computer codes were completed, tested, and documented for analyzing magnetic anomaly vector components by equivalent point dipole inversion. The codes are intended for use in inverting the magnetic anomaly due to a spherical prism in a horizontal geomagnetic field and for recomputing the anomaly in a vertical geomagnetic field. Modeling of potential fields at satellite elevations that are derived from three dimensional sources by program SPHERE was made significantly more efficient by improving the input routines. A preliminary model of the Andean subduction zone was used to compute the anomaly at satellite elevations using both actual geomagnetic parameters and vertical polarization. Program SPHERE is also being used to calculate satellite level magnetic and gravity anomalies from the Amazon River Aulacogen.

Adsorption of Selenium and Strontium on Goethite: EXAFS Study and Surface Complexation Modeling of the Ternary Systems.

PubMed

Nie, Zhe; Finck, Nicolas; Heberling, Frank; Pruessmann, Tim; Liu, Chunli; Lützenkirchen, Johannes

2017-04-04

Knowledge of the geochemical behavior of selenium and strontium is critical for the safe disposal of radioactive wastes. Goethite, as one of the most thermodynamically stable and commonly occurring natural iron oxy-hydroxides, promisingly retains these elements. This work comprehensively studies the adsorption of Se(IV) and Sr(II) on goethite. Starting from electrokinetic measurements, the binary and ternary adsorption systems are investigated and systematically compared via batch experiments, EXAFS analysis, and CD-MUSIC modeling. Se(IV) forms bidentate inner-sphere surface complexes, while Sr(II) is assumed to form outer-sphere complexes at low and intermediate pH and inner-sphere complexes at high pH. Instead of a direct interaction between Se(IV) and Sr(II), our results indicate an electrostatically driven mutual enhancement of adsorption. Adsorption of Sr(II) is promoted by an average factor of 5 within the typical groundwater pH range from 6 to 8 for the concentration range studied here. However, the interaction between Se(IV) and Sr(II) at the surface is two-sided, Se(IV) promotes Sr(II) outer-sphere adsorption, but competes for inner-sphere adsorption sites at high pH. The complexity of surfaces is highlighted by the inability of adsorption models to predict isoelectric points without additional constraints.

Discrete Morse flow for Ricci flow and porous medium equation

NASA Astrophysics Data System (ADS)

Ma, Li; Witt, Ingo

2018-06-01

In this paper, we study the discrete Morse flow for the Ricci flow on the American football, which is the 2-sphere with the north and south poles removed and equipped with a metric g0 of constant scalar curvature, and for the porous medium equation on a bounded regular domain in the plane. We show that under suitable assumptions on the initial metric g(0) one has a weak approximate discrete Morse flow for the approximated Ricci flow and porous medium equation on any time interval.

Method of moments for the dilute granular flow of inelastic spheres

NASA Astrophysics Data System (ADS)

Strumendo, Matteo; Canu, Paolo

2002-10-01

Some peculiar features of granular materials (smooth, identical spheres) in rapid flow are the normal pressure differences and the related anisotropy of the velocity distribution function f(1). Kinetic theories have been proposed that account for the anisotropy, mostly based on a generalization of the Chapman-Enskog expansion [N. Sela and I. Goldhirsch, J. Fluid Mech. 361, 41 (1998)]. In the present paper, we approach the problem differently by means of the method of moments; previously, similar theories have been constructed for the nearly elastic behavior of granular matter but were not able to predict the normal pressures differences. To overcome these restrictions, we use as an approximation of the f(1) a truncated series expansion in Hermite polynomials around the Maxwellian distribution function. We used the approximated f(1) to evaluate the collisional source term and calculated all the resulting integrals; also, the difference in the mean velocity of the two colliding particles has been taken into account. To simulate the granular flows, all the second-order moment balances are considered together with the mass and momentum balances. In balance equations of the Nth-order moments, the (N+1)th-order moments (and their derivatives) appear: we therefore introduced closure equations to express them as functions of lower-order moments by a generalization of the ``elementary kinetic theory,'' instead of the classical procedure of neglecting the (N+1)th-order moments and their derivatives. We applied the model to the translational flow on an inclined chute obtaining the profiles of the solid volumetric fraction, the mean velocity, and all the second-order moments. The theoretical results have been compared with experimental data [E. Azanza, F. Chevoir, and P. Moucheront, J. Fluid Mech. 400, 199 (1999); T. G. Drake, J. Fluid Mech. 225, 121 (1991)] and all the features of the flow are reflected by the model: the decreasing exponential profile of the solid volumetric fraction, the parabolic shape of the mean velocity, the constancy of the granular temperature and of its components. Besides, the model predicts the normal pressures differences, typical of the granular materials.

Comparison of NMR simulations of porous media derived from analytical and voxelized representations.

PubMed

Jin, Guodong; Torres-Verdín, Carlos; Toumelin, Emmanuel

2009-10-01

We develop and compare two formulations of the random-walk method, grain-based and voxel-based, to simulate the nuclear-magnetic-resonance (NMR) response of fluids contained in various models of porous media. The grain-based approach uses a spherical grain pack as input, where the solid surface is analytically defined without an approximation. In the voxel-based approach, the input is a computer-tomography or computer-generated image of reconstructed porous media. Implementation of the two approaches is largely the same, except for the representation of porous media. For comparison, both approaches are applied to various analytical and digitized models of porous media: isolated spherical pore, simple cubic packing of spheres, and random packings of monodisperse and polydisperse spheres. We find that spin magnetization decays much faster in the digitized models than in their analytical counterparts. The difference in decay rate relates to the overestimation of surface area due to the discretization of the sample; it cannot be eliminated even if the voxel size decreases. However, once considering the effect of surface-area increase in the simulation of surface relaxation, good quantitative agreement is found between the two approaches. Different grain or pore shapes entail different rates of increase of surface area, whereupon we emphasize that the value of the "surface-area-corrected" coefficient may not be universal. Using an example of X-ray-CT image of Fontainebleau rock sample, we show that voxel size has a significant effect on the calculated surface area and, therefore, on the numerically simulated magnetization response.

Molecular simulation of structure and diffusion at smectite-water interfaces: Using expanded clay interlayers as model nanopores

DOE PAGES

Greathouse, Jeffery A.; Hart, David; Bowers, Geoffrey M.; ...

2015-07-20

In geologic settings relevant to a number of extraction and potential sequestration processes, nanopores bounded by clay mineral surfaces play a critical role in the transport of aqueous species. Solution structure and dynamics at clay–water interfaces are quite different from their bulk values, and the spatial extent of this disruption remains a topic of current interest. We have used molecular dynamics simulations to investigate the structure and diffusion of aqueous solutions in clay nanopores approximately 6 nm thick, comparing the effect of clay composition with model Na-hectorite and Na-montmorillonite surfaces. In addition to structural properties at the interface, water andmore » ion diffusion coefficients were calculated within each aqueous layer at the interface, as well as in the central bulk-like region of the nanopore. The results show similar solution structure and diffusion properties at each surface, with subtle differences in sodium adsorption complexes and water structure in the first adsorbed layer due to different arrangements of layer hydroxyl groups in the two clay models. Interestingly, the extent of surface disruption on bulk-like solution structure and diffusion extends to only a few water layers. Additionally, a comparison of sodium ion residence times confirms similar behavior of inner-sphere and outer-sphere surface complexes at each clay surface, but ~1% of sodium ions adsorb in ditrigonal cavities on the hectorite surface. Thus, the presence of these anhydrous ions is consistent with highly immobile anhydrous ions seen in previous nuclear magnetic resonance spectroscopic measurements of hectorite pastes.« less

Experimental and numerical study on bubble-sphere interaction near a rigid wall

NASA Astrophysics Data System (ADS)

Li, S.; Zhang, A. M.; Han, R.; Liu, Y. Q.

2017-09-01

This study is concerned with the interaction between a violently oscillating bubble and a movable sphere with comparable size near a rigid wall, which is an essential physical phenomenon in many applications such as cavitation, underwater explosion, ultrasonic cleaning, and biomedical treatment. Experiments are performed in a cubic water tank, and the underwater electric discharge technique (580 V DC) is employed to generate a bubble that is initiated between a rigid wall and a sphere in an axisymmetric configuration. The bubble-sphere interactions are captured using a high-speed camera operating at 52 000 frames/s. A classification of the bubble-sphere interaction is proposed, i.e., "weak," "intermediate," and "strong" interactions, identified with three distinct bubble shapes at the maximum volume moment. In the numerical simulations, the boundary integral method and the auxiliary function method are combined to establish a full coupling model that decouples the mutual dependence between the force and the sphere motion. The main features of bubble dynamics in different experiments are well reproduced by our numerical model. Meanwhile, the pressure and velocity fields are also provided for clarifying the associated mechanisms. The effects of two dimensionless standoff parameters, namely, γs (defined as ds/Rm, where ds is the minimum distance between the initial bubble center and the sphere surface and Rm is the maximum bubble radius) and γw (defined as dw/Rm, where dw is the distance between the initial bubble center and the rigid wall), are also discussed.

Superintegrability of geodesic motion on the sausage model

NASA Astrophysics Data System (ADS)

Arutyunov, Gleb; Heinze, Martin; Medina-Rincon, Daniel

2017-06-01

Reduction of the η-deformed sigma model on AdS_5× S5 to the two-dimensional squashed sphere (S^2)η can be viewed as a special case of the Fateev sausage model where the coupling constant ν is imaginary. We show that geodesic motion in this model is described by a certain superintegrable mechanical system with four-dimensional phase space. This is done by means of explicitly constructing three integrals of motion which satisfy the sl(2) Poisson algebra relations, albeit being non-polynomial in momenta. Further, we find a canonical transformation which transforms the Hamiltonian of this mechanical system to the one describing the geodesic motion on the usual two-sphere. By inverting this transformation we map geodesics on this auxiliary two-sphere back to the sausage model. This paper is a tribute to the memory of Prof Petr Kulish.

Phase separation in living micellar networks

NASA Astrophysics Data System (ADS)

Cristobal, G.; Rouch, J.; Curély, J.; Panizza, P.

We present a lattice model based on two n→0 spin vectors, capable of treating the thermodynamics of living networks in micellar solutions at any surfactant concentration. We establish an isomorphism between the coupling constants in the two spin vector Hamiltonian and the surfactant energies involved in the micellar situation. Solving this Hamiltonian in the mean-field approximation allows one to calculate osmotic pressure, aggregation number, free end and cross-link densities at any surfactant concentration. We derive a phase diagram, including changes in topology such as the transition between spheres and rods and between saturated and unsaturated networks. A phase separation can be found between a saturated network and a dilute solution composed of long flexible micelles or a saturated network and a solution of spherical micelles.

Adsorption of Cu(II) to Bacillus subtilis: A pH-dependent EXAFS and thermodynamic modelling study

NASA Astrophysics Data System (ADS)

Moon, Ellen M.; Peacock, Caroline L.

2011-11-01

Bacteria are very efficient sorbents of trace metals, and their abundance in a wide variety of natural aqueous systems means biosorption plays an important role in the biogeochemical cycling of many elements. We measured the adsorption of Cu(II) to Bacillus subtilis as a function of pH and surface loading. Adsorption edge and XAS experiments were performed at high bacteria-to-metal ratio, analogous to Cu uptake in natural geologic and aqueous environments. We report significant Cu adsorption to B. subtilis across the entire pH range studied (pH ˜2-7), with adsorption increasing with pH to a maximum at pH ˜6. We determine directly for the first time that Cu adsorbs to B. subtilis as a (CuO 5H n) n-8 monodentate, inner-sphere surface complex involving carboxyl surface functional groups. This Cu-carboxyl complex is able to account for the observed Cu adsorption across the entire pH range studied. Having determined the molecular adsorption mechanism of Cu to B. subtilis, we have developed a new thermodynamic surface complexation model for Cu adsorption that is informed by and consistent with EXAFS results. We model the surface electrostatics using the 1p K basic Stern approximation. We fit our adsorption data to the formation of a monodentate, inner-sphere tbnd RCOOCu + surface complex. In agreement with previous studies, this work indicates that in order to accurately predict the fate and mobility of Cu in complex biogeochemical systems, we must incorporate the formation of Cu-bacteria surface complexes in reactive transport models. To this end, this work recommends log K tbnd RCOOCu + = 7.13 for geologic and aqueous systems with generally high B. subtilis-to-metal ratio.

Polyhedral protein cages encase synaptic vesicles and participate in their attachment to the active zone.

PubMed

Zampighi, G A; Fisher, R S

1997-08-01

In an effort to elucidate the interactions between synaptic vesicles and the membrane of the active zone, we have investigated the structure of interneuronal asymmetric synapses in the neocortex of adult rats using thin-sectioning, freeze-fracture, and negative staining electron microscopy. We identified three subtypes of spherical synaptic vesicles. Type I were agranular vesicles of 47.5 +/- 3.8 nm (mean SD, n = 24) in diameter usually seen aggregated in clusters in the presynaptic bouton. Type II synaptic vesicles were composed of a approximately 45-nm-diameter lipid bilayer sphere encased in a cage 77 +/- 4.6 nm (mean SD, n = 42) in diameter. The cage was composed of open-faced pentamers 20-22 nm/side arranged as a regular polyhedron. Type II caged vesicles were found in clusters at the boutons, adhered to the active zone, and were also present in axons. Type III synaptic vesicles appeared as electron-dense spheres 60-75 nm in diameter abutted to the membrane of the active zone. Clathrin-coated vesicles and pits of 116.6 +/- 9 nm (mean SD, n = 14) in diameter were also present in both the pre- and postsynaptic sides. Freeze-fracture showed that some intrinsic membrane proteins in the active zone were arranged as pentamers exhibiting the same dimension of those forming cages (approximately 22 nm/side). From these data, we concluded that: (a) the presynaptic bouton contains a heterogeneous population of "caged" and "plain" synaptic vesicles and (b) type II synaptic vesicles bind to receptors in the active zone. Therefore, current models of transmitter release should take into account the substantial heterogeneity of the vesicle population and the binding of vesicular cages to the membrane of the active zone.

Methods for describing the electromagnetic properties of silver and gold nanoparticles.

PubMed

Zhao, Jing; Pinchuk, Anatoliy O; McMahon, Jeffrey M; Li, Shuzhou; Ausman, Logan K; Atkinson, Ariel L; Schatz, George C

2008-12-01

This Account provides an overview of the methods that are currently being used to study the electromagnetics of silver and gold nanoparticles, with an emphasis on the determination of extinction and surface-enhanced Raman scattering (SERS) spectra. These methods have proven to be immensely useful in recent years for interpreting a wide range of nanoscience experiments and providing the capability to describe optical properties of particles up to several hundred nanometers in dimension, including arbitrary particle structures and complex dielectric environments (adsorbed layers of molecules, nearby metal films, and other particles). While some of the methods date back to Mie's celebrated work a century ago, others are still at the forefront of algorithm development in computational electromagnetics. This Account gives a qualitative description of the physical and mathematical basis behind the most commonly used methods, including both analytical and numerical methods, as well as representative results of applications that are relevant to current experiments. The analytical methods that we discuss are either derived from Mie theory for spheres or from the quasistatic (Gans) model as applied to spheres and spheroids. In this discussion, we describe the use of Mie theory to determine electromagnetic contributions to SERS enhancements that include for retarded dipole emission effects, and the use of the quasistatic approximation for spheroidal particles interacting with dye adsorbate layers. The numerical methods include the discrete dipole approximation (DDA), the finite difference time domain (FDTD) method, and the finite element method (FEM) based on Whitney forms. We discuss applications such as using DDA to describe the interaction of two gold disks to define electromagnetic hot spots, FDTD for light interacting with metal wires that go from particle-like plasmonic response to the film-like transmission as wire dimension is varied, and FEM studies of electromagnetic fields near cubic particles.

Frontal Impact of Rolling Spheres.

ERIC Educational Resources Information Center

Domenech, A.; Casasus, E.

1991-01-01

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

Qualitative Observations Concerning Packing Densities for Liquids, Solutions, and Random Assemblies of Spheres

ERIC Educational Resources Information Center

Duer, W. C.; And Others

1977-01-01

Discusses comparisons of packing densities derived from known molar volume data of liquids and solutions. Suggests further studies for using assemblies of spheres as models for simple liquids and solutions. (MLH)

Experimental investigation of shock wave diffraction over a single- or double-sphere model

NASA Astrophysics Data System (ADS)

Zhang, L. T.; Wang, T. H.; Hao, L. N.; Huang, B. Q.; Chen, W. J.; Shi, H. H.

2017-01-01

In this study, the unsteady drag produced by the interaction of a shock wave with a single- and a double-sphere model is measured using imbedded accelerometers. The shock wave is generated in a horizontal circular shock tube with an inner diameter of 200 mm. The effect of the shock Mach number and the dimensionless distance between spheres is investigated. The time-history of the drag coefficient is obtained based on Fast Fourier Transformation (FFT) band-block filtering and polynomial fitting of the measured acceleration. The measured peak values of the drag coefficient, with the associated uncertainty, are reported.

Crystallization of Deformable Spherical Colloids

NASA Astrophysics Data System (ADS)

Batista, Vera M. O.; Miller, Mark A.

2010-08-01

We introduce and characterize a first-order model for a generic class of colloidal particles that have a preferred spherical shape but can undergo deformations while always maintaining hard-body interactions. The model consists of hard spheres that can continuously change shape at fixed volume into prolate or oblate ellipsoids of revolution, subject to an energetic penalty. The severity of this penalty is specified by a single parameter that determines the flexibility of the particles. The deformable hard spheres crystallize at higher packing fractions than rigid hard spheres, have a narrower solid-fluid coexistence region and can reach high densities by a second transition to an orientationally ordered crystal.

A computationally efficient ductile damage model accounting for nucleation and micro-inertia at high triaxialities

DOE PAGES

Versino, Daniele; Bronkhorst, Curt Allan

2018-01-31

The computational formulation of a micro-mechanical material model for the dynamic failure of ductile metals is presented in this paper. The statistical nature of porosity initiation is accounted for by introducing an arbitrary probability density function which describes the pores nucleation pressures. Each micropore within the representative volume element is modeled as a thick spherical shell made of plastically incompressible material. The treatment of porosity by a distribution of thick-walled spheres also allows for the inclusion of micro-inertia effects under conditions of shock and dynamic loading. The second order ordinary differential equation governing the microscopic porosity evolution is solved withmore » a robust implicit procedure. A new Chebyshev collocation method is employed to approximate the porosity distribution and remapping is used to optimize memory usage. The adaptive approximation of the porosity distribution leads to a reduction of computational time and memory usage of up to two orders of magnitude. Moreover, the proposed model affords consistent performance: changing the nucleation pressure probability density function and/or the applied strain rate does not reduce accuracy or computational efficiency of the material model. The numerical performance of the model and algorithms presented is tested against three problems for high density tantalum: single void, one-dimensional uniaxial strain, and two-dimensional plate impact. Here, the results using the integration and algorithmic advances suggest a significant improvement in computational efficiency and accuracy over previous treatments for dynamic loading conditions.« less

Acoustic levitation of a large solid sphere

NASA Astrophysics Data System (ADS)

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

2016-07-01

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

Underscreening in ionic liquids: a first principles analysis.

PubMed

Rotenberg, Benjamin; Bernard, Olivier; Hansen, Jean-Pierre

2018-02-07

An attempt is made to understand the underscreening effect, observed in concentrated electrolyte solutions or melts, on the basis of simple, admittedly crude models involving charged (for the ions) and neutral (for the solvent molecules) hard spheres. The thermodynamic and structural properties of these 'primitive' and 'semi-primitive' models are calculated within mean spherical approximation, which provides the basic input required to determine the partial density response functions. The screening length [Formula: see text], which is unambiguously defined in terms of the wave-number-dependent response functions, exhibits a cross-over from a low density, Debye-like regime, to a regime where [Formula: see text] increases with density beyond a critical density at which the Debye length [Formula: see text] becomes comparable to the ion diameter. In this high density regime the ratio [Formula: see text] increases according to a power law, in qualitative agreement with experimental measurements, albeit at a much slower rate.

Underscreening in ionic liquids: a first principles analysis

NASA Astrophysics Data System (ADS)

Rotenberg, Benjamin; Bernard, Olivier; Hansen, Jean-Pierre

2018-02-01

An attempt is made to understand the underscreening effect, observed in concentrated electrolyte solutions or melts, on the basis of simple, admittedly crude models involving charged (for the ions) and neutral (for the solvent molecules) hard spheres. The thermodynamic and structural properties of these ‘primitive’ and ‘semi-primitive’ models are calculated within mean spherical approximation, which provides the basic input required to determine the partial density response functions. The screening length λS , which is unambiguously defined in terms of the wave-number-dependent response functions, exhibits a cross-over from a low density, Debye-like regime, to a regime where λS increases with density beyond a critical density at which the Debye length λD becomes comparable to the ion diameter. In this high density regime the ratio λ_S/λD increases according to a power law, in qualitative agreement with experimental measurements, albeit at a much slower rate.

Theoretical and observational analysis of spacecraft fields

NASA Technical Reports Server (NTRS)

Neubauer, F. M.; Schatten, K. H.

1972-01-01

In order to investigate the nondipolar contributions of spacecraft magnetic fields a simple magnetic field model is proposed. This model consists of randomly oriented dipoles in a given volume. Two sets of formulas are presented which give the rms-multipole field components, for isotropic orientations of the dipoles at given positions and for isotropic orientations of the dipoles distributed uniformly throughout a cube or sphere. The statistical results for an 8 cu m cube together with individual examples computed numerically show the following features: Beyond about 2 to 3 m distance from the center of the cube, the field is dominated by an equivalent dipole. The magnitude of the magnetic moment of the dipolar part is approximated by an expression for equal magnetic moments or generally by the Pythagorean sum of the dipole moments. The radial component is generally greater than either of the transverse components for the dipole portion as well as for the nondipolar field contributions.

Numerical methods in laminar and turbulent flow; Proceedings of the 7th International Conference, Stanford Univ., CA, July 15-19, 1991. Vol. 7, pts. 1 & 2

NASA Technical Reports Server (NTRS)

Taylor, C. (Editor); Chin, J. H. (Editor); Homsy, G. M. (Editor)

1991-01-01

Consideration is given to the impulse response of a laminar boundary layer and receptivity; numerical transition to turbulence in plane Poiseuille flow; large eddy simulation of turbulent wake flow; a viscous model and loss calculation of a multisplitter cascade; vortex initiation during dynamic stall of an airfoil; a numerical analysis of isothermal flow in a combustion chamber; and compressible flow calculations with a two-equation turbulence model and unstructured grids. Attention is also given to a 2D calculation of a buoyant flow around a burning sphere, a fast multigrid method for 3D turbulent incompressible flows, a streaming flow induced by an oscillating cascade of circular cylinders, an algebraic multigrid scheme for solving the Navier-Stokes equations on unstructured meshes; and nonlinear coupled multigrid solutions to thermal problems employing different nodal grid arrangements and convective transport approximations.

Spacecraft self-contamination due to back-scattering of outgas products

NASA Technical Reports Server (NTRS)

Robertson, S. J.

1976-01-01

The back-scattering of outgas contamination near an orbiting spacecraft due to intermolecular collisions was analyzed. Analytical tools were developed for making reasonably accurate quantitative estimates of the outgas contamination return flux, given a knowledge of the pertinent spacecraft and orbit conditions. Two basic collision mechanisms were considered: (1) collisions involving only outgas molecules (self-scattering) and (2) collisions between outgas molecules and molecules in the ambient atmosphere (ambient-scattering). For simplicity, the geometry was idealized to a uniformly outgassing sphere and to a disk oriented normal to the freestream. The method of solution involved an integration of an approximation of the Boltzmann kinetic equation known as the BGK (or Krook) model equation. Results were obtained in the form of simple equations relating outgas return flux to spacecraft and orbit parameters. Results were compared with previous analyses based on more simplistic models of the collision processes.

Nonstatic radiating spheres in general relativity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Krori, K.D.; Borgohain, P.; Sarma, R.

1985-02-15

The method of Herrera, Jimenez, and Ruggeri of obtaining nonstatic solutions of Einstein's field equations to study the evolution of stellar bodies is applied to obtain two models of nonstatic radiating spheres from two well-known static solutions of field equations, viz., Tolman's solutions IV and V. Whereas Tolman's type-IV model is found to be contracting for the period under investigation, Tolman's type-V model shows a bounce after attaining a minimum radius.

DoD Information Assurance and Agile: Challenges and Recommendations Gathered Through Interviews with Agile Program Managers and DoD Accreditation Reviewers

DTIC Science & Technology

2012-11-01

Tradeoff Analysis Method; ATAM, Capability Maturity Model , Capability Maturity Modeling , Carnegie Mellon, CERT, CERT Coordination Center, CMM, CMMI...Hermansen, Product Design, Sphere of Influence (https://www.SphereOfInfluence.com) Joel McAteer, Information Assurance Manager, Modeling ...use of them does introduce some challenges related to delivering software features rapidly and/or in- crementally . • Challenges with respect to

Experimental evaluation of the drag coefficient for smooth spheres by free fall experiments in old mines

NASA Astrophysics Data System (ADS)

Maroto, J. A.; Dueñas-Molina, J.; de Dios, J.

2005-05-01

Mines of Linares, Jaén, Spain, have been exploited from the age of the Phoenicians, Carthaginians and Romans. These silver and lead mines reached their maximum splendour at the end of the 19th century and at the beginning of the 20th century. Nevertheless, all the mining works finished in the 1970s and the diverse machinery was sold. Only the shafts remain since then which has now permitted carrying out interesting free fall experiments using smooth spheres of both cork and cast iron. The experiments were facilitated by the fact that the tubular shape of the shafts provides excellent transmission of sound, which made feasible the recording of the impact sound of the spheres with water at the bottom of the shafts at distances of up to 200 m. By using these experimental data, we have carried out an evaluation of the drag coefficient for the movement of smooth spheres through the air in the laminar regime with Reynolds number in the interval 103 to 2 × 105. This evaluation was in excellent agreement with the literature data. From the theoretical point of view, the analysis of the free fall movement includes a variety of concepts such as Newton's second law, the drag force, Archimedes principle and the velocity of sound, which makes these experiments very attractive for both physics teachers and physics students at university level. Finally, an easy experiment is proposed in this paper which has permitted an approximate evaluation of the drag coefficient for smooth spheres to be carried out in a laboratory environment.

Development of a Thin-Film Solar Cell Interconnect for the Powersphere Concept

NASA Technical Reports Server (NTRS)

Simburger, Edward J.; Matsumoto, James H.; Giants, Thomas W.; Garcia, Alexander, III; Liu, Simon; Rawal, Suraj P.; Perry, Alan R.; Marshall, Craig; Lin, John K.; Scarborough, Stephen E.

2005-01-01

Dual junction amorphous silicon (a-Si) solar cells produced on polyimide substrate have been selected as the best candidate to produce a lightweight solar array for the PowerSphere program. The PowerSphere concept features a space-inflatable, geodetic solar array approximately 0.6 meters in diameter and capable of generating about 20W of electrical power. Trade studies of various wiring concepts and connection methods led to an interconnect design with a copper contact that wraps around the edge, to the back of the solar cell. Applying Plasma Vapor Deposited (PVD) copper film to both sides and the edge of the solar cell produces the wrap around contact. This procedure results in a contact pad on the back of the solar cell, which is then laser welded to a flex circuit material. The flex circuit is constructed of copper in a custom designed routing pattern, and then sandwiched in a Kapton insulation layer. The flex circuit then serves as the primary power distribution system between the solar cells and the spacecraft. Flex circuit material is the best candidate for the wiring harness because it allows for low force deployment of the solar cells by the inflatable hinges on the PowerSphere. An additional frame structure, fabricated and assembled by ILC Dover, will reinforce the wrap around contact-flex blanket connection, thus providing a mechanically robust solar cell interconnect for the PowerSphere multifunctional program. The PowerSphere team will use the wraparound contact design approach as the primary solution for solar cell integration and the flex blanket for power distribution.

Aperture excited dielectric antennas

NASA Technical Reports Server (NTRS)

Crosswell, W. F.; Chatterjee, J. S.; Mason, V. B.; Tai, C. T.

1974-01-01

The results of a comprehensive experimental and theoretical study of the effect of placing dielectric objects over the aperture of waveguide antennas are presented. Experimental measurements of the radiation patterns, gain, impedance, near-field amplitude, and pattern and impedance coupling between pairs of antennas are given for various Plexiglas shapes, including the sphere and the cube, excited by rectangular, circular, and square waveguide feed apertures. The waveguide excitation of a dielectric sphere is modeled using the Huygens' source, and expressions for the resulting electric fields, directivity, and efficiency are derived. Calculations using this model show good overall agreement with experimental patterns and directivity measurements. The waveguide under an infinite dielectric slab is used as an impedance model. Calculations using this model agree qualitatively with the measured impedance data. It is concluded that dielectric loaded antennas such as the waveguide excited sphere, cube, or sphere-cylinder can produce directivities in excess of that obtained by a uniformly illuminated aperture of the same cross section, particularly for dielectric objects with dimensions of 2 wavelengths or less. It is also shown that for certain configurations coupling between two antennas of this type is less than that for the same antennas without dielectric loading.

Incorporation of star measurements for the determination of orbit and attitude parameters of a geosynchronous satellite: An iterative application of linear regression

NASA Astrophysics Data System (ADS)

Phillips, D.

1980-10-01

Currently on NOAA/NESS's VIRGS system at the World Weather Building star images are being ingested on a daily basis. The image coordinates of the star locations are measured and stored. Subsequently, the information is used to determine the attitude, the misalignment angles between the spin axis and the principal axis of the satellite, and the precession rate and direction. This is done for both the 'East' and 'West' operational geosynchronous satellites. This orientation information is then combined with image measurements of earth based landmarks to determine the orbit of each satellite. The method for determining the orbit is simple. For each landmark measurement one determines a nominal position vector for the satellite by extending a ray from the landmark's position towards the satellite and intersecting the ray with a sphere with center coinciding with the Earth's center and with radius equal to the nominal height for a geosynchronous satellite. The apparent motion of the satellite around the Earth's center is then approximated with a Keplerian model. In turn the variations of the satellite's height, as a function of time found by using this model, are used to redetermine the successive satellite positions by again using the Earth based landmark measurements and intersecting rays from these landmarks with the newly determined spheres. This process is performed iteratively until convergence is achieved. Only three iterations are required.

Structural Analysis and Testing of the Inflatable Re-entry Vehicle Experiment (IRVE)

NASA Technical Reports Server (NTRS)

Lindell, Michael C.; Hughes, Stephen J.; Dixon, Megan; Wiley, Cliff E.

2006-01-01

The Inflatable Re-entry Vehicle Experiment (IRVE) is a 3.0 meter, 60 degree half-angle sphere cone, inflatable aeroshell experiment designed to demonstrate various aspects of inflatable technology during Earth re-entry. IRVE will be launched on a Terrier-Improved Orion sounding rocket from NASA s Wallops Flight Facility in the fall of 2006 to an altitude of approximately 164 kilometers and re-enter the Earth s atmosphere. The experiment will demonstrate exo-atmospheric inflation, inflatable structure leak performance throughout the flight regime, structural integrity under aerodynamic pressure and associated deceleration loads, thermal protection system performance, and aerodynamic stability. Structural integrity and dynamic response of the inflatable will be monitored with photogrammetric measurements of the leeward side of the aeroshell during flight. Aerodynamic stability and drag performance will be verified with on-board inertial measurements and radar tracking from multiple ground radar stations. In addition to demonstrating inflatable technology, IRVE will help validate structural, aerothermal, and trajectory modeling and analysis techniques for the inflatable aeroshell system. This paper discusses the structural analysis and testing of the IRVE inflatable structure. Equations are presented for calculating fabric loads in sphere cone aeroshells, and finite element results are presented which validate the equations. Fabric material properties and testing are discussed along with aeroshell fabrication techniques. Stiffness and dynamics tests conducted on a small-scale development unit and a full-scale prototype unit are presented along with correlated finite element models to predict the in-flight fundamental mod

The Mystery of the Sparkling Spheres

NASA Technical Reports Server (NTRS)

2004-01-01

This image, taken by the microscopic imager, an instrument located on the Mars Exploration Rover Opportunity 's instrument deployment device, or 'arm,' reveals shiny, spherical objects embedded within the trench wall at Meridiani Planum, Mars. Scientists are highly intrigued by these objects and may further investigate them. The area in this image measures approximately 3 centimeters (1.2 inches) across.

Dendritic Growth of Hard-Sphere Crystals. Experiment 34

NASA Technical Reports Server (NTRS)

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

1998-01-01

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

Normal modes of the shallow water system on the cubed sphere

NASA Astrophysics Data System (ADS)

Kang, H. G.; Cheong, H. B.; Lee, C. H.

2017-12-01

Spherical harmonics expressed as the Rossby-Haurwitz waves are the normal modes of non-divergent barotropic model. Among the normal modes in the numerical models, the most unstable mode will contaminate the numerical results, and therefore the investigation of normal mode for a given grid system and a discretiztaion method is important. The cubed-sphere grid which consists of six identical faces has been widely adopted in many atmospheric models. This grid system is non-orthogonal grid so that calculation of the normal mode is quiet challenge problem. In the present study, the normal modes of the shallow water system on the cubed sphere discretized by the spectral element method employing the Gauss-Lobatto Lagrange interpolating polynomials as orthogonal basis functions is investigated. The algebraic equations for the shallow water equation on the cubed sphere are derived, and the huge global matrix is constructed. The linear system representing the eigenvalue-eigenvector relations is solved by numerical libraries. The normal mode calculated for the several horizontal resolution and lamb parameters will be discussed and compared to the normal mode from the spherical harmonics spectral method.

Hypervelocity Impact Testing of International Space Station Meteoroid/Orbital Debris Shielding Using an Inhibited Shaped Charge Launcher

NASA Technical Reports Server (NTRS)

Kerr, Justin H.; Grosch, Donald

2001-01-01

Engineers at the NASA Johnson Space Center have conducted hypervelocity impact (HVI) performance evaluations of spacecraft meteoroid and orbital debris (M/OD) shields at velocities in excess of 7 km/s. The inhibited shaped charge launcher (ISCL), developed by the Southwest Research Institute, launches hollow, circular, cylindrical jet tips to approximately 11 km/s. Since traditional M/OD shield ballistic limit performance is defined as the diameter of sphere required to just perforate or spall a spacecraft pressure wall, engineers must decide how to compare ISCL derived data with those of the spherical impactor data set. Knowing the mass of the ISCL impactor, an equivalent sphere diameter may be calculated. This approach is conservative since ISCL jet tips are more damaging than equal mass spheres. A total of 12 tests were recently conducted at the Southwest Research Institute (SWRI) on International Space Station M/OD shields. Results of these tests are presented and compared to existing ballistic limit equations. Modification of these equations is suggested based on the results.

Synthesis, self-assembly, and properties of Mn doped ZnO nanoparticles.

PubMed

Barick, K C; Bahadur, D

2007-06-01

We report here a novel process to prepare Mn doped ZnO nanoparticles by a soft chemical route at low temperature. The synthesis process is based on the hydrolysis of zinc acetate dihydrate and manganese acetate tetrahydrate heated under reflux to 160-175 degrees C using diethylene glycol as a solvent. X-ray diffraction analysis reveals that the Mn doped ZnO crystallizes in a wurtzite structure with crystal size of 15-25 nm. These nano size crystallites of Mn doped ZnO self-organize into polydisperse spheres in size ranging from 100-400 nm. Transmission Electron Microscopy image also shows that each sphere is made up of numerous nanocrystals of average diameter 15-25 nm. By means of X-ray photoelectron spectroscopy and electron spin resonance spectroscopy, we determined the valence state of Mn ions as 2+. These nanoparticles were found to be ferromagnetic at room temperature. Monodisperse porous spheres (approximately 250 nm) were obtained by size selective separation technique and then self-assembled in a closed pack periodic array through sedimentation with slow solvent evaporation, which gives strong opalescence in visible region.

Acquisition of Long-Duration, Low-Gravity Slosh Data Utilizing Existing ISS Equipment (SPHERES) for Calibration of CFD Models of Coupled Fluid-Vehicle Behavior

NASA Technical Reports Server (NTRS)

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 simulates a launch vehicle upper stage propellant tank and the maneuvers replicate those of real vehicles. The design includes inertial sensors, data acquisition, image capture and data storage interfaces to the SPHERES VERTIGO computer system on board the flight article assembly. The design also includes mechanical and electronic interfaces to the existing SPHERES hardware, which include self-contained packages that can operate in conjunction with the existing SPHERES electronics

Acquisition of Long-Duration, Low-Gravity Slosh Data Utilizing Existing ISS Equipment (SPHERES) for Calibration of CFD Models of Coupled Fluid-Vehicle Behavior

NASA Technical Reports Server (NTRS)

Schallhorn, Paul; Roth, Jacob; Marsell, Brandon; Kirk, Daniel; Gutierrez, Hector; Saenz-Otero, Alvar; Dorney, Daniel; Moder, Jeffrey

2012-01-01

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 Office of the Chief Technologist (OCT) 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 simulates a launch vehicle upper stage propellant tank and the maneuvers replicate those of real vehicles. The design includes inertial sensors, data acquisition, image capture and data storage interfaces to the SPHERES VERTIGO computer system on board the flight article assembly. The design also includes mechanical and electronic interfaces to the existing SPHERES hardware, which include self-contained packages that can operate in conjunction with the existing SPHERES electronics.

Hierarchical Self-Organization of Perylene Bisimides into Supramolecular Spheres and Periodic Arrays Thereof.

PubMed

Sahoo, Dipankar; Peterca, Mihai; Aqad, Emad; Partridge, Benjamin E; Heiney, Paul A; Graf, Robert; Spiess, Hans W; Zeng, Xiangbing; Percec, Virgil

2016-11-09

Perylene bisimide derivatives (PBIs) are known to form only columnar or lamellar assemblies. There is no known example of a PBI self-assembling into a supramolecular sphere. Therefore, periodic and quasiperiodic arrays generated from spherical assemblies produced from PBIs are also not known. Here, a PBI functionalized at its imide groups with a second generation self-assembling dendron is reported to self-assemble into supramolecular spheres. These spheres self-organize in a body-centered cubic (BCC) periodic array, rarely encountered for self-assembling dendrons but often encountered in block copolymers. These supramolecular spheres also assemble into a columnar hexagonal array in which the supramolecular columns are unexpectedly and unprecedentedly made from spheres. At lower temperature, two additional columnar hexagonal phases consisting of symmetric and asymmetric tetrameric crowns of PBI are observed. Structural and retrostructural analysis via X-ray diffraction (XRD), molecular modeling, molecular simulation, and solid state NMR suggests that inversion of the symmetric tetrameric crowns at high temperature mediates their transformation into supramolecular spheres. The tetrameric crowns of PBIs are able to form an isotropic sphere in the cubic phase due to rapid molecular motion at high temperature, unobservable by XRD but demonstrated by solid state NMR studies. This mechanism of hierarchical self-organization of PBI into supramolecular spheres is most probably general and can be applied to other related planar molecules to generate new functions.

Hunting high and low: disentangling primordial and late-time non-Gaussianity with cosmic densities in spheres

NASA Astrophysics Data System (ADS)

Uhlemann, C.; Pajer, E.; Pichon, C.; Nishimichi, T.; Codis, S.; Bernardeau, F.

2018-03-01

Non-Gaussianities of dynamical origin are disentangled from primordial ones using the formalism of large deviation statistics with spherical collapse dynamics. This is achieved by relying on accurate analytical predictions for the one-point probability distribution function and the two-point clustering of spherically averaged cosmic densities (sphere bias). Sphere bias extends the idea of halo bias to intermediate density environments and voids as underdense regions. In the presence of primordial non-Gaussianity, sphere bias displays a strong scale dependence relevant for both high- and low-density regions, which is predicted analytically. The statistics of densities in spheres are built to model primordial non-Gaussianity via an initial skewness with a scale dependence that depends on the bispectrum of the underlying model. The analytical formulas with the measured non-linear dark matter variance as input are successfully tested against numerical simulations. For local non-Gaussianity with a range from fNL = -100 to +100, they are found to agree within 2 per cent or better for densities ρ ∈ [0.5, 3] in spheres of radius 15 Mpc h-1 down to z = 0.35. The validity of the large deviation statistics formalism is thereby established for all observationally relevant local-type departures from perfectly Gaussian initial conditions. The corresponding estimators for the amplitude of the non-linear variance σ8 and primordial skewness fNL are validated using a fiducial joint maximum likelihood experiment. The influence of observational effects and the prospects for a future detection of primordial non-Gaussianity from joint one- and two-point densities-in-spheres statistics are discussed.

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

NASA Astrophysics Data System (ADS)

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

2015-11-01

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

Electrohydrodynamic interaction of spherical particles under Quincke rotation.

PubMed

Das, Debasish; Saintillan, David

2013-04-01

Weakly conducting dielectric particles suspended in a dielectric liquid of higher conductivity can undergo a transition to spontaneous sustained rotation when placed in a sufficiently strong dc electric field. This phenomenon of Quincke rotation has interesting implications for the rheology of these suspensions, whose effective viscosity can be controlled and reduced by application of an external field. While previous models based on the rotation of isolated particles have provided accurate estimates for this viscosity reduction in dilute suspensions, discrepancies have been reported in more concentrated systems where particle-particle interactions are likely significant. Motivated by this observation, we extend the classic description of Quincke rotation based on the Taylor-Melcher leaky dielectric model to account for pair electrohydrodynamic interactions between two identical spheres using the method of reflections. A coupled system of evolution equations for the dipole moments and angular velocities of the spheres is derived that accounts for electric dipole-dipole interactions and hydrodynamic rotlet interactions up to order O(R(-5)), where R is the separation distance between the spheres. A linear stability analysis of this system shows that interactions modify the value of the critical electric field for the onset of Quincke rotation: both electric and hydrodynamic interactions can either stabilize or destabilize the system depending on the orientation of the spheres, but the leading effect of interactions on the onset of rotation is hydrodynamic. We also analyze the dynamics in the nonlinear regime by performing numerical simulations of the governing equations. In the case of a pair of spheres that are fixed in space, we find that particle rotations always synchronize in magnitude at long times, though the directions of rotation of the spheres need not be the same. The steady-state angular velocity magnitude depends on the configuration of the spheres and electric field strength and agrees very well with an asymptotic estimate derived for corotating spheres. In the case of freely-suspended spheres, dipolar interactions are observed to lead to a number of distinct behaviors depending on the initial relative configuration of the spheres and on any infinitesimal initial perturbation introduced in the system: in some cases the spheres slowly separate in space while steadily rotating, while in other cases they pair up and either corotate or counterrotate depending on their orientation relative to the field.

Electrohydrodynamic interaction of spherical particles under Quincke rotation

NASA Astrophysics Data System (ADS)

Das, Debasish; Saintillan, David

2013-04-01

Weakly conducting dielectric particles suspended in a dielectric liquid of higher conductivity can undergo a transition to spontaneous sustained rotation when placed in a sufficiently strong dc electric field. This phenomenon of Quincke rotation has interesting implications for the rheology of these suspensions, whose effective viscosity can be controlled and reduced by application of an external field. While previous models based on the rotation of isolated particles have provided accurate estimates for this viscosity reduction in dilute suspensions, discrepancies have been reported in more concentrated systems where particle-particle interactions are likely significant. Motivated by this observation, we extend the classic description of Quincke rotation based on the Taylor-Melcher leaky dielectric model to account for pair electrohydrodynamic interactions between two identical spheres using the method of reflections. A coupled system of evolution equations for the dipole moments and angular velocities of the spheres is derived that accounts for electric dipole-dipole interactions and hydrodynamic rotlet interactions up to order O(R-5), where R is the separation distance between the spheres. A linear stability analysis of this system shows that interactions modify the value of the critical electric field for the onset of Quincke rotation: both electric and hydrodynamic interactions can either stabilize or destabilize the system depending on the orientation of the spheres, but the leading effect of interactions on the onset of rotation is hydrodynamic. We also analyze the dynamics in the nonlinear regime by performing numerical simulations of the governing equations. In the case of a pair of spheres that are fixed in space, we find that particle rotations always synchronize in magnitude at long times, though the directions of rotation of the spheres need not be the same. The steady-state angular velocity magnitude depends on the configuration of the spheres and electric field strength and agrees very well with an asymptotic estimate derived for corotating spheres. In the case of freely-suspended spheres, dipolar interactions are observed to lead to a number of distinct behaviors depending on the initial relative configuration of the spheres and on any infinitesimal initial perturbation introduced in the system: in some cases the spheres slowly separate in space while steadily rotating, while in other cases they pair up and either corotate or counterrotate depending on their orientation relative to the field.

New Angles on Standard Force Fields: Toward a General Approach for Treating Atomic-Level Anisotropy

DOE PAGES

Van Vleet, Mary J.; Misquitta, Alston J.; Schmidt, J. R.

2017-12-21

Nearly all standard force fields employ the “sum-of-spheres” approximation, which models intermolecular interactions purely in terms of interatomic distances. Nonetheless, atoms in molecules can have significantly nonspherical shapes, leading to interatomic interaction energies with strong orientation dependencies. Neglecting this “atomic-level anisotropy” can lead to significant errors in predicting interaction energies. Herein, we propose a simple, transferable, and computationally efficient model (MASTIFF) whereby atomic-level orientation dependence can be incorporated into ab initio intermolecular force fields. MASTIFF includes anisotropic exchange-repulsion, charge penetration, and dispersion effects, in conjunction with a standard treatment of anisotropic long-range (multipolar) electrostatics. To validate our approach, we benchmarkmore » MASTIFF against various sum-of-spheres models over a large library of intermolecular interactions between small organic molecules. MASTIFF achieves quantitative accuracy, with respect to both high-level electronic structure theory and experiment, thus showing promise as a basis for “next-generation” force field development.« less

FDDO and DSMC analyses of rarefied gas flow through 2D nozzles

NASA Technical Reports Server (NTRS)

Chung, Chan-Hong; De Witt, Kenneth J.; Jeng, Duen-Ren; Penko, Paul F.

1992-01-01

Two different approaches, the finite-difference method coupled with the discrete-ordinate method (FDDO), and the direct-simulation Monte Carlo (DSMC) method, are used in the analysis of the flow of a rarefied gas expanding through a two-dimensional nozzle and into a surrounding low-density environment. In the FDDO analysis, by employing the discrete-ordinate method, the Boltzmann equation simplified by a model collision integral is transformed to a set of partial differential equations which are continuous in physical space but are point functions in molecular velocity space. The set of partial differential equations are solved by means of a finite-difference approximation. In the DSMC analysis, the variable hard sphere model is used as a molecular model and the no time counter method is employed as a collision sampling technique. The results of both the FDDO and the DSMC methods show good agreement. The FDDO method requires less computational effort than the DSMC method by factors of 10 to 40 in CPU time, depending on the degree of rarefaction.

New Angles on Standard Force Fields: Toward a General Approach for Treating Atomic-Level Anisotropy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Van Vleet, Mary J.; Misquitta, Alston J.; Schmidt, J. R.

Nearly all standard force fields employ the “sum-of-spheres” approximation, which models intermolecular interactions purely in terms of interatomic distances. Nonetheless, atoms in molecules can have significantly nonspherical shapes, leading to interatomic interaction energies with strong orientation dependencies. Neglecting this “atomic-level anisotropy” can lead to significant errors in predicting interaction energies. Herein, we propose a simple, transferable, and computationally efficient model (MASTIFF) whereby atomic-level orientation dependence can be incorporated into ab initio intermolecular force fields. MASTIFF includes anisotropic exchange-repulsion, charge penetration, and dispersion effects, in conjunction with a standard treatment of anisotropic long-range (multipolar) electrostatics. To validate our approach, we benchmarkmore » MASTIFF against various sum-of-spheres models over a large library of intermolecular interactions between small organic molecules. MASTIFF achieves quantitative accuracy, with respect to both high-level electronic structure theory and experiment, thus showing promise as a basis for “next-generation” force field development.« less

Through the looking glass: why the `cosmic horizon' is not a horizon

NASA Astrophysics Data System (ADS)

van Oirschot, Pim; Kwan, Juliana; Lewis, Geraint F.

2010-06-01

The present standard model of cosmology, Λ cold dark matter (ΛCDM), contains some intriguing coincidences. Not only are the dominant contributions to the energy density approximately of the same order at the present epoch, but we also note that contrary to the emergence of cosmic acceleration as a recent phenomenon, the time-averaged value of the deceleration parameter over the age of the Universe is nearly zero. Curious features like these in ΛCDM give rise to a number of alternate cosmologies being proposed to remove them, including models with an equation of state w = -1/3. In this paper, we examine the validity of some of these alternate models and we also address some persistent misconceptions about the Hubble sphere and the event horizon that lead to erroneous conclusions about cosmology. Research undertaken as part of the Commonwealth Cosmology Initiative (CCI: http://www.thecci.org), an international collaboration supported by the Australian Research Council. E-mail: pimvanoirschot@gmail.com

A new computational growth model for sea urchin skeletons.

PubMed

Zachos, Louis G

2009-08-07

A new computational model has been developed to simulate growth of regular sea urchin skeletons. The model incorporates the processes of plate addition and individual plate growth into a composite model of whole-body (somatic) growth. A simple developmental model based on hypothetical morphogens underlies the assumptions used to define the simulated growth processes. The data model is based on a Delaunay triangulation of plate growth center points, using the dual Voronoi polygons to define plate topologies. A spherical frame of reference is used for growth calculations, with affine deformation of the sphere (based on a Young-Laplace membrane model) to result in an urchin-like three-dimensional form. The model verifies that the patterns of coronal plates in general meet the criteria of Voronoi polygonalization, that a morphogen/threshold inhibition model for plate addition results in the alternating plate addition pattern characteristic of sea urchins, and that application of the Bertalanffy growth model to individual plates results in simulated somatic growth that approximates that seen in living urchins. The model suggests avenues of research that could explain some of the distinctions between modern sea urchins and the much more disparate groups of forms that characterized the Paleozoic Era.

Splitting of magnetic dipole modes in anisotropic TiO 2 micro-spheres: Splitting of magnetic dipole modes in anisotropic TiO 2 micro-spheres

DOE PAGES

Khromova, Irina; Kužel, Petr; Brener, Igal; ...

2016-06-27

Monocrystalline titanium dioxide (TiO 2) micro-spheres support two orthogonal magnetic dipole modes at terahertz (THz) frequencies due to strong dielectric anisotropy. For the first time, we experimentally detected the splitting of the first Mie mode in spheres of radii inline imagem through near-field time-domain THz spectroscopy. By fitting the Fano lineshape model to the experimentally obtained spectra of the electric field detected by the sub-wavelength aperture probe, we found that the magnetic dipole resonances in TiO 2 spheres have narrow linewidths of only tens of gigahertz. Lastly, anisotropic TiO 2 micro-resonators can be used to enhance the interplay of magneticmore » and electric dipole resonances in the emerging THz all-dielectric metamaterial technology.« less

Acoustic levitation of a large solid sphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Andrade, Marco A. B., E-mail: marcobrizzotti@gmail.com; Bernassau, Anne L.; Adamowski, Julio C.

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 setupmore » 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.« less

"Sphere" as a Gendered Space: Cognitive Linguistic Models of Conceptual Metaphor and Embodiment in Nineteenth-Century Women's Rights Discourse

ERIC Educational Resources Information Center

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…

Random sphere packing model of heterogeneous propellants

NASA Astrophysics Data System (ADS)

Kochevets, Sergei Victorovich

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

Minimal two-sphere model of the generation of fluid flow at low Reynolds numbers.

PubMed

Leoni, M; Bassetti, B; Kotar, J; Cicuta, P; Cosentino Lagomarsino, M

2010-03-01

Locomotion and generation of flow at low Reynolds number are subject to severe limitations due to the irrelevance of inertia: the "scallop theorem" requires that the system have at least two degrees of freedom, which move in non-reciprocal fashion, i.e. breaking time-reversal symmetry. We show here that a minimal model consisting of just two spheres driven by harmonic potentials is capable of generating flow. In this pump system the two degrees of freedom are the mean and relative positions of the two spheres. We have performed and compared analytical predictions, numerical simulation and experiments, showing that a time-reversible drive is sufficient to induce flow.

Axisymmetric analysis of a tube-type acoustic levitator by a finite element method.

PubMed

Hatano, H

1994-01-01

A finite element approach was taken for the study of the sound field and positioning force in a tube-type acoustic levitator. An axisymmetric model, where a rigid sphere is suspended on the tube axis, was introduced to model a cylindrical chamber of a levitation tube furnace. Distributions of velocity potential, magnitudes of positioning force, and resonance frequency shifts of the chamber due to the presence of the sphere were numerically estimated in relation to the sphere's position and diameter. Experiments were additionally made to compare with the simulation. The finite element method proved to be a useful tool for analyzing and designing the tube-type levitator.

Results of a Hubble Space Telescope Search for Natural Satellites of Dwarf Planet 1 Ceres

NASA Astrophysics Data System (ADS)

DeMario, Benjamin; Schmidt, Britney E.; Mutchler, Maximilian J.; Li, Jian-Yang; McFadden, Lucy Ann; McLean, Brian; Russell, Christopher T.

2016-10-01

In order to prepare for the arrival of the Dawn spacecraft at Ceres, a search for satellites was undertaken by the Hubble Space Telescope (HST) to enhance the mission science return and to ensure spacecraft safety. Previous satellite searches from ground-based telescopes have detected no satellites within Ceres' Hill sphere down to a size of 3 km (Gehrels et al. 1987) and early HST investigations searched to a limit of 1-2 km (Bieryla et al. 2011). The Wide Field Camera 3 (WFC3) on board the HST was used to image Ceres between 14 April - 28 April 2014. These images cover approximately the inner third of Ceres' Hill sphere, where the Hill sphere is the region surrounding Ceres where stable satellite orbits are possible. We performed a deep search for possible companions orbiting Ceres. No natural companions were located down to a diameter of 48 meters, over most of the Hill sphere to a distance of 205,000 km (434 Ceres radii) from the surface of Ceres. It was impossible to search all the way to the surface of Ceres because of scattered light, but at a distance of 2865 km (five Ceres radii), the search limit was determined to be 925 meters. The absence of a satellite around Ceres could, in the future, support more refined theories about satellite formation or capture mechanisms in the solar system.

Effective conductivity of suspensions of overlapping spheres

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, I.C.; Torquato, S.

1992-03-15

An accurate first-passage simulation technique formulated by the authors (J. Appl. Phys. {bold 68}, 3892 (1990)) is employed to compute the effective conductivity {sigma}{sub {ital e}} of distributions of penetrable (or overlapping) spheres of conductivity {sigma}{sub 2} in a matrix of conductivity {sigma}{sub 1}. Clustering of particles in this model results in a generally intricate topology for virtually the entire range of sphere volume fractions {phi}{sub 2} (i.e., 0{le}{phi}{sub 2}{le}1). Results for the effective conductivity {sigma}{sub {ital e}} are presented for several values of the conductivity ratio {alpha}={sigma}{sub 2}/{sigma}{sub 1}, including superconducting spheres ({alpha}={infinity}) and perfectly insulating spheres ({alpha}=0), andmore » for a wide range of volume fractions. The data are shown to lie between rigorous three-point bounds on {sigma}{sub {ital e}} for the same model. Consistent with the general observations of Torquato (J. Appl. Phys. {bold 58}, 3790 (1985)) regarding the utility of rigorous bounds, one of the bounds provides a good estimate of the effective conductivity, even in the extreme contrast cases ({alpha}{much gt}1 or {alpha}{congruent}0), depending upon whether the system is below or above the percolation threshold.« less

Markovian Interpretations of Dual Retrieval Processes

PubMed Central

Gomes, C. F. A.; Nakamura, K.; Reyna, V. F.

2013-01-01

A half-century ago, at the dawn of the all-or-none learning era, Estes showed that finite Markov chains supply a tractable, comprehensive framework for discrete-change data of the sort that he envisioned for shifts in conditioning states in stimulus sampling theory. Shortly thereafter, such data rapidly accumulated in many spheres of human learning and animal conditioning, and Estes’ work stimulated vigorous development of Markov models to handle them. A key outcome was that the data of the workhorse paradigms of episodic memory, recognition and recall, proved to be one- and two-stage Markovian, respectively, to close approximations. Subsequently, Markov modeling of recognition and recall all but disappeared from the literature, but it is now reemerging in the wake of dual-process conceptions of episodic memory. In recall, in particular, Markov models are being used to measure two retrieval operations (direct access and reconstruction) and a slave familiarity operation. In the present paper, we develop this family of models and present the requisite machinery for fit evaluation and significance testing. Results are reviewed from selected experiments in which the recall models were used to understand dual memory processes. PMID:24948840

Transforming growth factor-beta1 promotes the migration and invasion of sphere-forming stem-like cell subpopulations in esophageal cancer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yue, Dongli; Zhang, Zhen; Li, Jieyao

Esophageal cancer is one of the most lethal solid malignancies. Mounting evidence demonstrates that cancer stem cells (CSCs) are able to cause tumor initiation, metastasis and responsible for chemotherapy and radiotherapy failures. As CSCs are thought to be the main reason of therapeutic failure, these cells must be effectively targeted to elicit long-lasting therapeutic responses. We aimed to enrich and identify the esophageal cancer cell subpopulation with stem-like properties and help to develop new target therapy strategies for CSCs. Here, we found esophageal cancer cells KYSE70 and TE1 could form spheres in ultra low attachment surface culture and be seriallymore » passaged. Sphere-forming cells could redifferentiate and acquire morphology comparable to parental cells, when return to adherent culture. The sphere-forming cells possessed the key criteria that define CSCs: persistent self-renewal, overexpression of stemness genes (SOX2, ALDH1A1 and KLF4), reduced expression of differentiation marker CK4, chemoresistance, strong invasion and enhanced tumorigenic potential. SB525334, transforming growth factor-beta 1(TGF-β1) inhibitor, significantly inhibited migration and invasion of sphere-forming stem-like cells and had no effect on sphere-forming ability. In conclusion, esophageal cancer sphere-forming cells from KYSE70 and TE1 cultured in ultra low attachment surface possess cancer stem cell properties, providing a model for CSCs targeted therapy. TGF-β1 promotes the migration and invasion of sphere-forming stem-like cells, which may guide future studies on therapeutic strategies targeting these cells. - Highlights: • Esophageal cancer sphere-forming cells possess cancer stem cell properties. • Sphere-forming cells enhance TGF-β1 pathway activity. • TGF-β 1 inhibitor suppresses the migration and invasion of sphere-forming cells.« less

How Does the Gibbs Inequality Condition Affect the Stability and Detachment of Floating Spheres from the Free Surface of Water?

PubMed

Feng, Dong-xia; Nguyen, Anh V

2016-03-01

Floating objects on the air-water interfaces are central to a number of everyday activities, from walking on water by insects to flotation separation of valuable minerals using air bubbles. The available theories show that a fine sphere can float if the force of surface tension and buoyancies can support the sphere at the interface with an apical angle subtended by the circle of contact being larger than the contact angle. Here we show that the pinning of the contact line at the sharp edge, known as the Gibbs inequality condition, also plays a significant role in controlling the stability and detachment of floating spheres. Specifically, we truncated the spheres with different angles and used a force sensor device to measure the force of pushing the truncated spheres from the interface into water. We also developed a theoretical modeling to calculate the pushing force that in combination with experimental results shows different effects of the Gibbs inequality condition on the stability and detachment of the spheres from the water surface. For small angles of truncation, the Gibbs inequality condition does not affect the sphere detachment, and hence the classical theories on the floatability of spheres are valid. For large truncated angles, the Gibbs inequality condition determines the tenacity of the particle-meniscus contact and the stability and detachment of floating spheres. In this case, the classical theories on the floatability of spheres are no longer valid. A critical truncated angle for the transition from the classical to the Gibbs inequality regimes of detachment was also established. The outcomes of this research advance our understanding of the behavior of floating objects, in particular, the flotation separation of valuable minerals, which often contain various sharp edges of their crystal faces.

Hydrodynamic correlation functions of hard-sphere fluids at short times

NASA Astrophysics Data System (ADS)

Leegwater, Jan A.; van Beijeren, Henk

1989-11-01

The short-time behavior of the coherent intermediate scattering function for a fluid of hard-sphere particles is calculated exactly through order t 4, and the other hydrodynamic correlation functions are calculated exactly through order t 2. It is shown that for all of the correlation functions considered the Enskog theory gives a fair approximation. Also, the initial time behavior of various Green-Kubo integrands is studied. For the shear-viscosity integrand it is found that at density nσ3=0.837 the prediction of the Enskog theory is 32% too low. The initial value of the bulk viscosity integrand is nonzero, in contrast to the Enskog result. The initial value of the thermal conductivity integrand at high densities is predicted well by Enskog theory.

A Preliminary Investigation on the Destruction of Solid-Propellant Rocket Motors by Impact from Small Particles

NASA Technical Reports Server (NTRS)

Carter, David J., Jr.

1960-01-01

An investigation was conducted to determine whether solid-propellant rocket motors could be ignited and destroyed by small-particle impacts at particle velocities up to a approximately 10,940 feet per second. Spheres ranging from 1/16 to 7/32 inch in diameter were fired into simulated rocket motors containing T-22 propellant over a range of ambient pressures from sea level to 0.12 inch of mercury absolute. Simulated cases of stainless steel, aluminum alloy, and laminated Fiberglas varied in thickness from 1/50 to 1/8 inch. Within the scope of this investigation, it was found that ignition and explosive destruction of simulated steel-case rocket motors could result from impacts by steel spheres at the lowest attainable pressure.

Synthesis of nano grade hollow silica sphere via a soft template method.

PubMed

Tsai, Ming-Shyong; Li, Miao Ju; Yen, Fu-Hsu

2008-06-01

The nano grade hollow silica sphere (HSS) was synthesized by a novel soft template method. We found that the precipitate of aluminate had a porous structure that could be the soft template for HSS. After mixing the colloidal silica with the aluminate precipitate, the bubble trapped in this porous structure could form the nano grade HSS. The aluminate precipitate was removed by adjusting the pH of the slurry to approximately 1. The outside diameter, the specific surface, and the mean pore size diameter of the forming HSS were 60-90 nm, 571 m2/g, and 3 nm, respectively. The formed HSS was collected by modifying the surface with Si(OCH3)3CHCH2 (VTMO) and then filtrating the precipitated gel in the n-butanol and ethanol solvent system.

Dynamic hardness of metals

NASA Astrophysics Data System (ADS)

Liang, Xuecheng

Dynamic hardness (Pd) of 22 different pure metals and alloys having a wide range of elastic modulus, static hardness, and crystal structure were measured in a gas pulse system. The indentation contact diameter with an indenting sphere and the radius (r2) of curvature of the indentation were determined by the curve fitting of the indentation profile data. r 2 measured by the profilometer was compared with that calculated from Hertz equation in both dynamic and static conditions. The results indicated that the curvature change due to elastic recovery after unloading is approximately proportional to the parameters predicted by Hertz equation. However, r 2 is less than the radius of indenting sphere in many cases which is contradictory to Hertz analysis. This discrepancy is believed due to the difference between Hertzian and actual stress distributions underneath the indentation. Factors which influence indentation elastic recovery were also discussed. It was found that Tabor dynamic hardness formula always gives a lower value than that directly from dynamic hardness definition DeltaE/V because of errors mainly from Tabor's rebound equation and the assumption that dynamic hardness at the beginning of rebound process (Pr) is equal to kinetic energy change of an impact sphere over the formed crater volume (Pd) in the derivation process for Tabor's dynamic hardness formula. Experimental results also suggested that dynamic to static hardness ratio of a material is primarily determined by its crystal structure and static hardness. The effects of strain rate and temperature rise on this ratio were discussed. A vacuum rotating arm apparatus was built to measure Pd at 70, 127, and 381 mum sphere sizes, these results exhibited that Pd is highly depended on the sphere size due to the strain rate effects. P d was also used to substitute for static hardness to correlate with abrasion and erosion resistance of metals and alloys. The particle size effects observed in erosion were also explained in terms of Pd change caused by sphere size change.

Xavier Preparatory Academy

NASA Image and Video Library

2009-04-19

Students of Xavier University Preparatory School in New Orleans watch clouds shift across the globe in near-real time on 'Science on a Sphere' during a recent visit to StenniSphere, the visitor center at NASA's John C. Stennis Space Center. Four projectors work in sync with the suspended sphere to create a revolving display of a planet's atmosphere, oceans and land; to show documentary movies; or to project models of climate change using satellite data. Pictured are students (l to r) Ashante Snowton, Robriane Larry, Zhane Farbe and Ebony Johnson.

Xavier Preparatory Academy

NASA Technical Reports Server (NTRS)

2009-01-01

Students of Xavier University Preparatory School in New Orleans watch clouds shift across the globe in near-real time on 'Science on a Sphere' during a recent visit to StenniSphere, the visitor center at NASA's John C. Stennis Space Center. Four projectors work in sync with the suspended sphere to create a revolving display of a planet's atmosphere, oceans and land; to show documentary movies; or to project models of climate change using satellite data. Pictured are students (l to r) Ashante Snowton, Robriane Larry, Zhane Farbe and Ebony Johnson.

Viscocapillary Response of Gas Bubbles Probed by Thermal Noise Atomic Force Measurement.

PubMed

Wang, Yuliang; Zeng, Binglin; Alem, Hadush Tedros; Zhang, Zaicheng; Charlaix, Elisabeth; Maali, Abdelhamid

2018-01-30

We present thermal noise measurements of a vibrating sphere close to microsized air bubbles in water with an atomic force microscope. The sphere was glued at the end of a cantilever with a resonance frequency of few kHz. The subangstrom thermal motion of the microsphere reveals an elastohydrodynamic coupling between the sphere and the air bubble. The results are in perfect agreement with a model incorporating macroscopic capillarity and fluid flow on the bubble surface with full slip boundary conditions.

The temperature dependence of inelastic light scattering from small particles for use in combustion diagnostic instrumentation

NASA Technical Reports Server (NTRS)

Cloud, Stanley D.

1987-01-01

A computer calculation of the expected angular distribution of coherent anti-Stokes Raman scattering (CARS) from micrometer size polystyrene spheres based on a Mie-type model, and a pilot experiment to test the feasibility of measuring CARS angular distributions from micrometer size polystyrene spheres by simply suspending them in water are discussed. The computer calculations predict a very interesting structure in the angular distributions that depends strongly on the size and relative refractive index of the spheres.

SPHERES Vertigo

NASA Image and Video Library

2014-07-25

ISS040-E-079083 (25 July 2014) --- In the International Space Station?s Kibo laboratory, NASA astronaut Steve Swanson, Expedition 40 commander, enters data in a computer in preparation for a session with a trio of soccer-ball-sized robots known as the Synchronized Position Hold, Engage, Reorient, Experimental Satellites, or SPHERES. The free-flying robots were equipped with stereoscopic goggles called the Visual Estimation and Relative Tracking for Inspection of Generic Objects, or VERTIGO, to enable the SPHERES to perform relative navigation based on a 3D model of a target object.

SPHERES-Vertigo experiment

NASA Image and Video Library

2014-07-25

ISS040-E-080130 (25 July 2014) --- In the International Space Station?s Kibo laboratory, European Space Agency astronaut Alexander Gerst, Expedition 40 flight engineer, conducts a session with a trio of soccer-ball-sized robots known as the Synchronized Position Hold, Engage, Reorient, Experimental Satellites, or SPHERES. The free-flying robots were equipped with stereoscopic goggles called the Visual Estimation and Relative Tracking for Inspection of Generic Objects, or VERTIGO, to enable the SPHERES to perform relative navigation based on a 3D model of a target object.

Lunar surface engineering properties experiment definition. Volume 2: Mechanics of rolling sphere-soil slope interaction

NASA Technical Reports Server (NTRS)

Hovland, H. J.; Mitchell, J. K.

1971-01-01

The soil deformation mode under the action of a rolling sphere (boulder) was determined, and a theory based on actual soil failure mechanism was developed which provides a remote reconnaissance technique for study of soil conditions using boulder track observations. The failure mechanism was investigated by using models and by testing an instrumented spherical wheel. The wheel was specifically designed to measure contact pressure, but it also provided information on the failure mechanism. Further tests included rolling some 200 spheres down sand slopes. Films were taken of the rolling spheres, and the tracks were measured. Implications of the results and reevaluation of the lunar boulder tracks are discussed.

Wake-Driven Dynamics of Finite-Sized Buoyant Spheres in Turbulence

NASA Astrophysics Data System (ADS)

Mathai, Varghese; Prakash, Vivek N.; Brons, Jon; Sun, Chao; Lohse, Detlef

2015-09-01

Particles suspended in turbulent flows are affected by the turbulence and at the same time act back on the flow. The resulting coupling can give rise to rich variability in their dynamics. Here we report experimental results from an investigation of finite-sized buoyant spheres in turbulence. We find that even a marginal reduction in the particle's density from that of the fluid can result in strong modification of its dynamics. In contrast to classical spatial filtering arguments and predictions of particle models, we find that the particle acceleration variance increases with size. We trace this reversed trend back to the growing contribution from wake-induced forces, unaccounted for in current particle models in turbulence. Our findings highlight the need for improved multiphysics based models that account for particle wake effects for a faithful representation of buoyant-sphere dynamics in turbulence.

Fixture for mounting small parts for processing

DOEpatents

Foreman, Larry R.; Gomez, Veronica M.; Thomas, Michael H.

1990-01-01

A fixture for mounting small parts, such as fusion target spheres or microelectronic components. A glass stalk is drawn and truncated near its tip. The truncated end of the glass stalk is dipped into silicone rubber forming an extending streamer. After the rubber cures for approximately 24 hours, a small part is touched to the streamer, and will be held securely throughout processing.

Correlation and prediction of the transport properties of refrigerants using two modified rough hard-sphere models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teja, A.S.; King, R.K.; Sun, T.F.

1999-01-01

Two methods are presented for the correlation and prediction of the viscosities and thermal conductivities of refrigerants R11, R12, R22, R32, R124, R125, R134a, R141b, and R152 and their mixtures. The first (termed RHS1) is a modified rough-hard-sphere method based on the smooth hard-sphere correlations of Assael et al. The method requires two or three parameters for characterizing each refrigerant but is able to correlate transport properties over wide ranges of pressure and temperature. The second method (RHS2) is also a modified rough-hard-sphere method, but based on an effective hard-sphere diameter for Lennard-Jones (LJ) fluids. The LJ parameters and themore » effective hard-sphere diameter required in this method are determined from a knowledge of the density-temperature behavior of the fluid at saturation. Comparisons with the rough-hard-sphere method of Assael and co-workers (RHS3) are shown. They also show that the RHS2 method can be used to correlate as well as predict the transport properties of refrigerants.« less

Electronic properties of excess Cr at Fe site in FeCr{sub 0.02}Se alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Sandeep, E-mail: sandeepk.iitb@gmail.com; Singh, Prabhakar P.

2015-06-24

We have studied the effect of substitution of transition-metal chromium (Cr) in excess on Fe sub-lattice in the electronic structure of iron-selenide alloys, FeCr{sub 0.02}Se. In our calculations, we used Korringa-Kohn-Rostoker coherent potential approximation method in the atomic sphere approximation (KKR-ASA-CPA). We obtained different band structure of this alloy with respect to the parent FeSe and this may be reason of changing their superconducting properties. We did unpolarized calculations for FeCr{sub 0.02}Se alloy in terms of density of states (DOS) and Fermi surfaces. The local density approximation (LDA) is used in terms of exchange correlation potential.

Surface Collisions Involving Particles and Moisture (SCIP'M)

NASA Technical Reports Server (NTRS)

Davis, Robert H.

2005-01-01

Experiments were performed on the collision of a solid sphere with a nearly horizontal flat surface covered with a thin layer of viscous liquid. High-speed collisions were obtained by dropping the ball onto the surface from various heights, using gravitational acceleration. Low-speed collisions were obtained using pendulums with long strings or by launching the balls at low velocities in the reduced-gravity environment of parabolic flight. The sphere bounces only when the impact velocity exceeds a critical value. The coefficient of restitution (ratio of rebound velocity to impact velocity) increases with increasing impact velocity above the critical value, indicating the increasing relative importance of elastic deformation to viscous dissipation. The critical impact velocity increases, and the coefficient of restitution decreases, with increasing viscosity or thickness of the liquid layer and with decreasing density or size of the sphere. The ratio of the wet and dry coefficients is expressed as a function of the Stokes number (ratio of particle inertia and viscous forces), showing good agreement between theory and experiment. Similar experiments were performed with the flat surface inclined at various angles to the approaching sphere. A modified Stokes number, which is a measure of the ratio of inertia of the sphere in the normal direction to the viscous forces exerted by the fluid layer, was used for the analysis of oblique collisions. Even for these oblique collisions, it was found that no rebound of the ball was observed below a certain critical Stokes number. The coefficient of normal restitution, defined as a ratio of normal rebound velocity to normal approach velocity, was found to increase beyond the critical Stokes number and even out as it approaches the value for dry restitution at high Stokes numbers. It was also found that, for smooth spheres like steel, the normal restitution at the same modified Stokes number is independent of the angle of impact. The tangential coefficient of restitution, defined as the ratio of tangential rebound velocity to tangential approach velocity, is found to be nearly unity, except for very low approach velocities. Thus, as a first approximation, the theories that predict the coefficient of restitution for head-on wet collisions can be extended to predict the coefficient of normal restitution for oblique wet collisions. Additional experiments were performed with soft surfaces in which a porous cloth or sponge layer was placed over the hard, flat surface. In these experiments, the coefficient of restitution was found to decrease with increasing impact velocity, due to inelastic losses in the soft material. A model combining inelastic deformation and flow through porous media was developed to describe these findings.

Binodal Colloidal Aggregation Test - 4: Polydispersion

NASA Technical Reports Server (NTRS)

Chaikin, Paul M.

2008-01-01

Binodal Colloidal Aggregation Test - 4: Polydispersion (BCAT-4-Poly) will use model hard-spheres to explore seeded colloidal crystal nucleation and the effects of polydispersity, providing insight into how nature brings order out of disorder. Crewmembers photograph samples of polymer and colloidal particles (tiny nanoscale spheres suspended in liquid) that model liquid/gas phase changes. Results will help scientists develop fundamental physics concepts previously cloaked by the effects of gravity.

a Numerical Investigation of the Jamming Transition in Traffic Flow on Diluted Planar Networks

NASA Astrophysics Data System (ADS)

Achler, Gabriele; Barra, Adriano

In order to develop a toy model for car's traffic in cities, in this paper we analyze, by means of numerical simulations, the transition among fluid regimes and a congested jammed phase of the flow of kinetically constrained hard spheres in planar random networks similar to urban roads. In order to explore as timescales as possible, at a microscopic level we implement an event driven dynamics as the infinite time limit of a class of already existing model (Follow the Leader) on an Erdos-Renyi two-dimensional graph, the crossroads being accounted by standard Kirchoff density conservations. We define a dynamical order parameter as the ratio among the moving spheres versus the total number and by varying two control parameters (density of the spheres and coordination number of the network) we study the phase transition. At a mesoscopic level it respects an, again suitable, adapted version of the Lighthill-Whitham model, which belongs to the fluid-dynamical approach to the problem. At a macroscopic level, the model seems to display a continuous transition from a fluid phase to a jammed phase when varying the density of the spheres (the amount of cars in a city-like scenario) and a discontinuous jump when varying the connectivity of the underlying network.

File Specification for the 7-km GEOS-5 Nature Run, Ganymed Release Non-Hydrostatic 7-km Global Mesoscale Simulation

NASA Technical Reports Server (NTRS)

da Silva, Arlindo M.; Putman, William; Nattala, J.

2014-01-01

This document describes the gridded output files produced by a two-year global, non-hydrostatic mesoscale simulation for the period 2005-2006 produced with the non-hydrostatic version of GEOS-5 Atmospheric Global Climate Model (AGCM). In addition to standard meteorological parameters (wind, temperature, moisture, surface pressure), this simulation includes 15 aerosol tracers (dust, sea-salt, sulfate, black and organic carbon), O3, CO and CO2. This model simulation is driven by prescribed sea-surface temperature and sea-ice, daily volcanic and biomass burning emissions, as well as high-resolution inventories of anthropogenic sources. A description of the GEOS-5 model configuration used for this simulation can be found in Putman et al. (2014). The simulation is performed at a horizontal resolution of 7 km using a cubed-sphere horizontal grid with 72 vertical levels, extending up to to 0.01 hPa (approximately 80 km). For user convenience, all data products are generated on two logically rectangular longitude-latitude grids: a full-resolution 0.0625 deg grid that approximately matches the native cubed-sphere resolution, and another 0.5 deg reduced-resolution grid. The majority of the full-resolution data products are instantaneous with some fields being time-averaged. The reduced-resolution datasets are mostly time-averaged, with some fields being instantaneous. Hourly data intervals are used for the reduced-resolution datasets, while 30-minute intervals are used for the full-resolution products. All full-resolution output is on the model's native 72-layer hybrid sigma-pressure vertical grid, while the reduced-resolution output is given on native vertical levels and on 48 pressure surfaces extending up to 0.02 hPa. Section 4 presents additional details on horizontal and vertical grids. Information of the model surface representation can be found in Appendix B. The GEOS-5 product is organized into file collections that are described in detail in Appendix C. Additional details about variables listed in this file specification can be found in a separate document, the GEOS-5 File Specification Variable Definition Glossary. Documentation about the current access methods for products described in this document can be found on the GEOS-5 Nature Run portal: http://gmao.gsfc.nasa.gov/projects/G5NR. Information on the scientific quality of this simulation will appear in a forthcoming NASA Technical Report Series on Global Modeling and Data Assimilation to be available from http://gmao.gsfc.nasa.gov/pubs/tm/.

Accurate diblock copolymer phase boundaries at strong segregations

NASA Astrophysics Data System (ADS)

Matsen, M. W.; Whitmore, M. D.

1996-12-01

We examine the lamellar/cylinder and cylinder/sphere phase boundaries for strongly segregated diblock copolymer melts using self-consistent-field theory (SCFT) and the standard Gaussian chain model. Calculations are performed with and without the conventional unit-cell approximation (UCA). We find that for strongly segregated melts, the UCA simply produces a small constant shift in each of the phase boundaries. Furthermore, the boundaries are found to be linear at strong segregations when plotted versus (χN)-1, which allows for accurate extrapolations to χN=∞. Our calculations using the UCA allow direct comparisons to strong-segregation theory (SST), which is accepted as the χN=∞ limit of SCFT. A significant discrepancy between the SST and SCFT results indicate otherwise, suggesting that the present formulation of SST is incomplete.

Anomalous dynamic arrest of non-interacting spheres ("polymer") diluted in a hard-sphere ("colloid") liquid

NASA Astrophysics Data System (ADS)

Lázaro-Lázaro, E.; Moreno-Razo, J. A.; Medina-Noyola, M.

2018-03-01

Upon compression, the equilibrium hard-sphere liquid [pair potential uHS(r)] freezes at a packing fraction ϕf = 0.494 or, if crystallization is prevented, becomes metastable up to its glass transition at ϕg ≈ 0.58. Throughout the fluid regime (ϕ < ϕg), we are, thus, certain that this model liquid does not exhibit any form of kinetic arrest. If, however, a small portion of these spheres (packing fraction ϕ2 ≪ ϕ) happen to ignore each other [u22(r) = 0] but do not ignore the remaining "normal" hard spheres [u12(r) = u21(r) = u11(r) = uHS(r)], whose packing fraction is thus ϕ1 = ϕ - ϕ2, they run the risk of becoming dynamically arrested before they demix from the "normal" particles. This unexpected and counterintuitive scenario was first theoretically predicted and then confirmed by simulations.

Two Perspectives of the 2D Unit Area Quantum Sphere and Their Equivalence

NASA Astrophysics Data System (ADS)

Aru, Juhan; Huang, Yichao; Sun, Xin

2017-11-01

2D Liouville quantum gravity (LQG) is used as a toy model for 4D quantum gravity and is the theory of world-sheet in string theory. Recently there has been growing interest in studying LQG in the realm of probability theory: David et al. (Liouville quantum gravity on the Riemann sphere. Commun Math Phys 342(3):869-907, 2016) and Duplantier et al. (Liouville quantum gravity as a mating of trees. ArXiv e-prints: arXiv:1409.7055, 2014) both provide a probabilistic perspective of the LQG on the 2D sphere. In particular, in each of them one may find a definition of the so-called unit area quantum sphere. We examine these two perspectives and prove their equivalence by showing that the respective unit area quantum spheres are the same. This is done by considering a unified limiting procedure for defining both objects.

Phase transitions in local equation-of-state approximation and anomalies of spatial charge profiles in non-uniform plasma

NASA Astrophysics Data System (ADS)

Chigvintsev, A. Yu; Zorina, I. G.; Noginova, L. Yu; Iosilevskiy, I. L.

2018-01-01

Impressive appearance of discontinuities in equilibrium spatial charge profiles in non-uniform Coulomb systems is under discussions in wide number of thermoelectrostatics problems. Such discontinuities are considered as peculiar micro-level manifestation of phase transitions and intrinsic macro-level non-ideality effects in local equation of state (EOS), which should be used for description of non-ideal ionic subsystem in frames of local-density (or “pseudofluid”, or “jellium” etc) approximation. Such discontinuities were discussed already by the authors for electronic subsystems. Special emphasis is made in present paper on the mentioned above non-ideality effects in non-uniform ionic subsystems, such as micro-ions profile within screening “cloud” around macro-ion in complex (dusty, colloid etc) plasmas, equilibrium charge profile in ionic traps or (and) in the neighborhood vicinity of “charged wall” etc). Multiphase EOS for simplified ionic model of classical charged hard spheres on uniformly compressible electrostatic compensating background was constructed and several illustrative examples of discussed discontinuous ionic profiles were calculated.

Holographic hierarchy in the Gaussian matrix model via the fuzzy sphere

NASA Astrophysics Data System (ADS)

Garner, David; Ramgoolam, Sanjaye

2013-10-01

The Gaussian Hermitian matrix model was recently proposed to have a dual string description with worldsheets mapping to a sphere target space. The correlators were written as sums over holomorphic (Belyi) maps from worldsheets to the two-dimensional sphere, branched over three points. We express the matrix model correlators by using the fuzzy sphere construction of matrix algebras, which can be interpreted as a string field theory description of the Belyi strings. This gives the correlators in terms of trivalent ribbon graphs that represent the couplings of irreducible representations of su(2), which can be evaluated in terms of 3j and 6j symbols. The Gaussian model perturbed by a cubic potential is then recognised as a generating function for Ponzano-Regge partition functions for 3-manifolds having the worldsheet as boundary, and equipped with boundary data determined by the ribbon graphs. This can be viewed as a holographic extension of the Belyi string worldsheets to membrane worldvolumes, forming part of a holographic hierarchy linking, via the large N expansion, the zero-dimensional QFT of the Matrix model to 2D strings and 3D membranes. Note that if, after removing the white vertices, the graph contains a blue edge connecting to the same black vertex at both ends, then the triangulation generated from the black edges will contain faces that resemble cut discs. These faces are triangles with two of the edges identified.

Process for Making a Noble Metal on Tin Oxide Catalyst

NASA Technical Reports Server (NTRS)

Davis, Patricia; Miller, Irvin; Upchurch, Billy

2010-01-01

To produce a noble metal-on-metal oxide catalyst on an inert, high-surface-area support material (that functions as a catalyst at approximately room temperature using chloride-free reagents), for use in a carbon dioxide laser, requires two steps: First, a commercially available, inert, high-surface-area support material (silica spheres) is coated with a thin layer of metal oxide, a monolayer equivalent. Very beneficial results have been obtained using nitric acid as an oxidizing agent because it leaves no residue. It is also helpful if the spheres are first deaerated by boiling in water to allow the entire surface to be coated. A metal, such as tin, is then dissolved in the oxidizing agent/support material mixture to yield, in the case of tin, metastannic acid. Although tin has proven especially beneficial for use in a closed-cycle CO2 laser, in general any metal with two valence states, such as most transition metals and antimony, may be used. The metastannic acid will be adsorbed onto the high-surface-area spheres, coating them. Any excess oxidizing agent is then evaporated, and the resulting metastannic acid-coated spheres are dried and calcined, whereby the metastannic acid becomes tin(IV) oxide. The second step is accomplished by preparing an aqueous mixture of the tin(IV) oxide-coated spheres, and a soluble, chloride-free salt of at least one catalyst metal. The catalyst metal may be selected from the group consisting of platinum, palladium, ruthenium, gold, and rhodium, or other platinum group metals. Extremely beneficial results have been obtained using chloride-free salts of platinum, palladium, or a combination thereof, such as tetraammineplatinum (II) hydroxide ([Pt(NH3)4] (OH)2), or tetraammine palladium nitrate ([Pd(NH3)4](NO3)2).

Direct numerical simulation of instabilities in parallel flow with spherical roughness elements

NASA Technical Reports Server (NTRS)

Deanna, R. G.

1992-01-01

Results from a direct numerical simulation of laminar flow over a flat surface with spherical roughness elements using a spectral-element method are given. The numerical simulation approximates roughness as a cellular pattern of identical spheres protruding from a smooth wall. Periodic boundary conditions on the domain's horizontal faces simulate an infinite array of roughness elements extending in the streamwise and spanwise directions, which implies the parallel-flow assumption, and results in a closed domain. A body force, designed to yield the horizontal Blasius velocity in the absence of roughness, sustains the flow. Instabilities above a critical Reynolds number reveal negligible oscillations in the recirculation regions behind each sphere and in the free stream, high-amplitude oscillations in the layer directly above the spheres, and a mean profile with an inflection point near the sphere's crest. The inflection point yields an unstable layer above the roughness (where U''(y) is less than 0) and a stable region within the roughness (where U''(y) is greater than 0). Evidently, the instability begins when the low-momentum or wake region behind an element, being the region most affected by disturbances (purely numerical in this case), goes unstable and moves. In compressible flow with periodic boundaries, this motion sends disturbances to all regions of the domain. In the unstable layer just above the inflection point, the disturbances grow while being carried downstream with a propagation speed equal to the local mean velocity; they do not grow amid the low energy region near the roughness patch. The most amplified disturbance eventually arrives at the next roughness element downstream, perturbing its wake and inducing a global response at a frequency governed by the streamwise spacing between spheres and the mean velocity of the most amplified layer.

An Automated Flying-Insect-Detection System

NASA Technical Reports Server (NTRS)

Vann, Timi; Andrews, Jane C.; Howell, Dane; Ryan, Robert

2005-01-01

An automated flying-insect-detection system (AFIDS) was developed as a proof-of-concept instrument for real-time detection and identification of flying insects. This type of system has use in public health and homeland security decision support, agriculture and military pest management, and/or entomological research. Insects are first lured into the AFIDS integrated sphere by insect attractants. Once inside the sphere, the insect's wing beats cause alterations in light intensity that is detected by a photoelectric sensor. Following detection, the insects are encouraged (with the use of a small fan) to move out of the sphere and into a designated insect trap where they are held for taxonomic identification or serological testing. The acquired electronic wing beat signatures are preprocessed (Fourier transformed) in real-time to display a periodic signal. These signals are sent to the end user where they are graphically displayed. All AFIDS data are pre-processed in the field with the use of a laptop computer equipped with LABVIEW. The AFIDS software can be programmed to run continuously or at specific time intervals when insects are prevalent. A special DC-restored transimpedance amplifier reduces the contributions of low-frequency background light signals, and affords approximately two orders of magnitude greater AC gain than conventional amplifiers. This greatly increases the signal-to-noise ratio and enables the detection of small changes in light intensity. The AFIDS light source consists of high-intensity Al GaInP light-emitting diodes (LEDs). The AFIDS circuitry minimizes brightness fluctuations in the LEDs and when integrated with an integrating sphere, creates a diffuse uniform light field. The insect wing beats isotropically scatter the diffuse light in the sphere and create wing beat signatures that are detected by the sensor. This configuration minimizes variations in signal associated with insect flight orientation.

Nonlinear microrheology of dense colloidal suspensions: A mode-coupling theory

NASA Astrophysics Data System (ADS)

Gazuz, I.; Fuchs, M.

2013-03-01

A mode-coupling theory for the motion of a strongly forced probe particle in a dense colloidal suspension is presented. Starting point is the Smoluchowski equation for N bath and a single probe particle. The probe performs Brownian motion under the influence of a strong constant and uniform external force Fex. It is immersed in a dense homogeneous bath of (different) particles also performing Brownian motion. Fluid and glass states are considered; solvent flow effects are neglected. Based on a formally exact generalized Green-Kubo relation, mode coupling approximations are performed and an integration through transients approach applied. A microscopic theory for the nonlinear velocity-force relations of the probe particle in a dense fluid and for the (de-) localized probe in a glass is obtained. It extends the mode coupling theory of the glass transition to strongly forced tracer motion and describes active microrheology experiments. A force threshold is identified which needs to be overcome to pull the probe particle free in a glass. For the model of hard sphere particles, the microscopic equations for the threshold force and the probability density of the localized probe are solved numerically. Neglecting the spatial structure of the theory, a schematic model is derived which contains two types of bifurcation, the glass transition and the force-induced delocalization, and which allows for analytical and numerical solutions. We discuss its phase diagram, forcing effects on the time-dependent correlation functions, and the friction increment. The model was successfully applied to simulations and experiments on colloidal hard sphere systems [Gazuz , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.102.248302 102, 248302 (2009)], while we provide detailed information on its derivation and general properties.

Virial series expansion and Monte Carlo studies of equation of state for hard spheres in narrow cylindrical pores

NASA Astrophysics Data System (ADS)

Mon, K. K.

2018-05-01

In this paper, the virial series expansion and constant pressure Monte Carlo method are used to study the longitudinal pressure equation of state for hard spheres in narrow cylindrical pores. We invoke dimensional reduction and map the model into an effective one-dimensional fluid model with interacting internal degrees of freedom. The one-dimensional model is extensive. The Euler relation holds, and longitudinal pressure can be probed with the standard virial series expansion method. Virial coefficients B2 and B3 were obtained analytically, and numerical quadrature was used for B4. A range of narrow pore widths (2 Rp) , Rp<(√{3 }+2 ) /4 =0.9330 ... (in units of the hard sphere diameter) was used, corresponding to fluids in the important single-file formations. We have also computed the virial pressure series coefficients B2', B3', and B4' to compare a truncated virial pressure series equation of state with accurate constant pressure Monte Carlo data. We find very good agreement for a wide range of pressures for narrow pores. These results contribute toward increasing the rather limited understanding of virial coefficients and the equation of state of hard sphere fluids in narrow cylindrical pores.

Many-body dynamics of chemically propelled nanomotors

NASA Astrophysics Data System (ADS)

Colberg, Peter H.; Kapral, Raymond

2017-08-01

The collective behavior of chemically propelled sphere-dimer motors made from linked catalytic and noncatalytic spheres in a quasi-two-dimensional confined geometry is studied using a coarse-grained microscopic dynamical model. Chemical reactions at the catalytic spheres that convert fuel to product generate forces that couple to solvent degrees of freedom as a consequence of momentum conservation in the microscopic dynamics. The collective behavior of the many-body system is influenced by direct intermolecular interactions among the motors, chemotactic effects due to chemical gradients, hydrodynamic coupling, and thermal noise. Segregation into high and low density phases and globally homogeneous states with strong fluctuations are investigated as functions of the motor characteristics. Factors contributing to this behavior are discussed in the context of active Brownian models.

The Urban Mission: Linking Fresno State and the Community

ERIC Educational Resources Information Center

Culver-Dockins, Natalie; McCarthy, Mary Ann; Brogan, Amy; Karsevar, Kent; Tatsumura, Janell; Whyte, Jenny; Woods, R. Sandie

2011-01-01

The "four spheres" model of transformation, as viewed through the lens of the urban mission of California State University, Fresno, is examined through current projects in economic development, infrastructure development, human development, and the fourth sphere, which encompasses the broad vision. Local projects will be highlighted.

Nuclear spin relaxation in ligands outside of the first coordination sphere in a gadolinium (III) complex: Effects of intermolecular forces

NASA Astrophysics Data System (ADS)

Kruk, Danuta; Kowalewski, Jozef

2002-07-01

This article describes paramagnetic relaxation enhancement (PRE) in systems with high electron spin, S, where there is molecular interaction between a paramagnetic ion and a ligand outside of the first coordination sphere. The new feature of our treatment is an improved handling of the electron-spin relaxation, making use of the Redfield theory. Following a common approach, a well-defined second coordination sphere is assumed, and the PRE contribution from these more distant and shorter-lived ligands is treated in a way similar to that used for the first coordination sphere. This model is called "ordered second sphere," OSS. In addition, we develop here a formalism similar to that of Hwang and Freed [J. Chem. Phys. 63, 4017 (1975)], but accounting for the electron-spin relaxation effects. We denote this formalism "diffuse second sphere," DSS. The description of the dynamics of the intermolecular dipole-dipole interaction is based on the Smoluchowski equation, with a potential of mean force related to the radial distribution function. We have used a finite-difference method to calculate numerically a correlation function for translational motion, taking into account the intermolecular forces leading to an arbitrary radial distribution of the ligand protons. The OSS and DSS models, including the Redfield description of the electron-spin relaxation, were used to interpret the PRE in an aqueous solution of a slowly rotating gadolinium (III) complex (S=7/2) bound to a protein.

Wrinkling of a thin circular sheet bonded to a spherical substrate

PubMed Central

Kohn, Robert V.

2017-01-01

We consider a disc-shaped thin elastic sheet bonded to a compliant sphere. (Our sheet can slip along the sphere; the bonding controls only its normal displacement.) If the bonding is stiff (but not too stiff), the geometry of the sphere makes the sheet wrinkle to avoid azimuthal compression. The total energy of this system is the elastic energy of the sheet plus a (Winkler-type) substrate energy. Treating the thickness of the sheet h as a small parameter, we determine the leading-order behaviour of the energy as h tends to zero, and we give (almost matching) upper and lower bounds for the next-order correction. Our analysis of the leading-order behaviour determines the macroscopic deformation of the sheet; in particular, it determines the extent of the wrinkled region, and predicts the (non-trivial) radial strain of the sheet. The leading-order behaviour also provides insight about the length scale of the wrinkling, showing that it must be approximately independent of the distance r from the centre of the sheet (so that the number of wrinkles must increase with r). Our results on the next-order correction provide insight about how the wrinkling pattern should vary with r. Roughly speaking, they suggest that the length scale of wrinkling should not be exactly constant—rather, it should vary slightly, so that the number of wrinkles at radius r can be approximately piecewise constant in its dependence on r, taking values that are integer multiples of h−a with . This article is part of the themed issue ‘Patterning through instabilities in complex media: theory and applications’. PMID:28373380

Review of the fermionic dark matter model applied to galactic structures

NASA Astrophysics Data System (ADS)

Krut, A.; Argüelles, C. R.; Rueda, J.; Ruffini, R.

2015-12-01

Baryonic components (e.g. bulge and disk) of galactic structures are assumed to be embedded in an isothermal dark matter halo of fermionic nature. Besides the Pauli principle only gravitational interaction is considered. Using the underlying Fermi-Dirac phase space distribution, typical of collisionless relaxation processes, it yields an one-parameter family of scaled solutions which reproduces the observed flat rotation curves in galaxies, and additionally predicts a degenerate core through their centers. In order to provide the right DM halo properties of galaxies a set of four parameters (particle mass, degeneracy parameter at the galactic center, central density and the velocity dispersion) is necessary. The more general density profile shows three regimes depending on radius: an almost uniform very dense quantum core followed by a steep fall, a plateau in the diluted regime and a Boltzmannian tail representing the halo. In contrast to purely Boltzmannian configurations the fermionic DM model containing a quantum core allows to determine the particle mass. We show that the quantum core can be well approximated by a polytrope of index n = 3/2, while the halo can be perfectly described by an isothermal sphere with a halo scale length radius equal to approximately 3/4 of the King-radius.

Review of the fermionic dark matter model applied to galactic structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Krut, A.; Argüelles, C. R.; Rueda, J.

2015-12-17

Baryonic components (e.g. bulge and disk) of galactic structures are assumed to be embedded in an isothermal dark matter halo of fermionic nature. Besides the Pauli principle only gravitational interaction is considered. Using the underlying Fermi-Dirac phase space distribution, typical of collisionless relaxation processes, it yields an one-parameter family of scaled solutions which reproduces the observed flat rotation curves in galaxies, and additionally predicts a degenerate core through their centers. In order to provide the right DM halo properties of galaxies a set of four parameters (particle mass, degeneracy parameter at the galactic center, central density and the velocity dispersion)more » is necessary. The more general density profile shows three regimes depending on radius: an almost uniform very dense quantum core followed by a steep fall, a plateau in the diluted regime and a Boltzmannian tail representing the halo. In contrast to purely Boltzmannian configurations the fermionic DM model containing a quantum core allows to determine the particle mass. We show that the quantum core can be well approximated by a polytrope of index n = 3/2, while the halo can be perfectly described by an isothermal sphere with a halo scale length radius equal to approximately 3/4 of the King-radius.« less

An isogeometric boundary element method for electromagnetic scattering with compatible B-spline discretizations

NASA Astrophysics Data System (ADS)

Simpson, R. N.; Liu, Z.; Vázquez, R.; Evans, J. A.

2018-06-01

We outline the construction of compatible B-splines on 3D surfaces that satisfy the continuity requirements for electromagnetic scattering analysis with the boundary element method (method of moments). Our approach makes use of Non-Uniform Rational B-splines to represent model geometry and compatible B-splines to approximate the surface current, and adopts the isogeometric concept in which the basis for analysis is taken directly from CAD (geometry) data. The approach allows for high-order approximations and crucially provides a direct link with CAD data structures that allows for efficient design workflows. After outlining the construction of div- and curl-conforming B-splines defined over 3D surfaces we describe their use with the electric and magnetic field integral equations using a Galerkin formulation. We use Bézier extraction to accelerate the computation of NURBS and B-spline terms and employ H-matrices to provide accelerated computations and memory reduction for the dense matrices that result from the boundary integral discretization. The method is verified using the well known Mie scattering problem posed over a perfectly electrically conducting sphere and the classic NASA almond problem. Finally, we demonstrate the ability of the approach to handle models with complex geometry directly from CAD without mesh generation.

Gas-liquid phase coexistence and crossover behavior of binary ionic fluids with screened Coulomb interactions.

PubMed

Patsahan, O

2014-06-01

We study the effects of an interaction range on the gas-liquid phase diagram and the crossover behavior of a simple model of ionic fluids: an equimolar binary mixture of equisized hard spheres interacting through screened Coulomb potentials which are repulsive between particles of the same species and attractive between particles of different species. Using the collective variables theory, we find explicit expressions for the relevant coefficients of the effective φ{4} Ginzburg-Landau Hamiltonian in a one-loop approximation. Within the framework of this approximation, we calculate the critical parameters and gas-liquid phase diagrams for varying inverse screening length z. Both the critical temperature scaled by the Yukawa potential contact value and the critical density rapidly decrease with an increase of the interaction range (a decrease of z) and then for z<0.05 they slowly approach the values found for a restricted primitive model (RPM). We find that gas-liquid coexistence region reduces with an increase of z and completely vanishes at z≃2.78. Our results clearly show that an increase in the interaction range leads to a decrease of the crossover temperature. For z≃0.01, the crossover temperature is the same as for the RPM.

Multiple zonal jets and convective heat transport barriers in a quasi-geostrophic model of planetary cores

NASA Astrophysics Data System (ADS)

Guervilly, C.; Cardin, P.

2017-10-01

We study rapidly rotating Boussinesq convection driven by internal heating in a full sphere. We use a numerical model based on the quasi-geostrophic approximation for the velocity field, whereas the temperature field is 3-D. This approximation allows us to perform simulations for Ekman numbers down to 10-8, Prandtl numbers relevant for liquid metals (˜10-1) and Reynolds numbers up to 3 × 104. Persistent zonal flows composed of multiple jets form as a result of the mixing of potential vorticity. For the largest Rayleigh numbers computed, the zonal velocity is larger than the convective velocity despite the presence of boundary friction. The convective structures and the zonal jets widen when the thermal forcing increases. Prograde and retrograde zonal jets are dynamically different: in the prograde jets (which correspond to weak potential vorticity gradients) the convection transports heat efficiently and the mean temperature tends to be homogenized; by contrast, in the cores of the retrograde jets (which correspond to steep gradients of potential vorticity) the dynamics is dominated by the propagation of Rossby waves, resulting in the formation of steep mean temperature gradients and the dominance of conduction in the heat transfer process. Consequently, in quasi-geostrophic systems, the width of the retrograde zonal jets controls the efficiency of the heat transfer.

An effective inversion algorithm for retrieving bimodal aerosol particle size distribution from spectral extinction data

NASA Astrophysics Data System (ADS)

He, Zhenzong; Qi, Hong; Yao, Yuchen; Ruan, Liming

2014-12-01

The Ant Colony Optimization algorithm based on the probability density function (PDF-ACO) is applied to estimate the bimodal aerosol particle size distribution (PSD). The direct problem is solved by the modified Anomalous Diffraction Approximation (ADA, as an approximation for optically large and soft spheres, i.e., χ⪢1 and |m-1|⪡1) and the Beer-Lambert law. First, a popular bimodal aerosol PSD and three other bimodal PSDs are retrieved in the dependent model by the multi-wavelength extinction technique. All the results reveal that the PDF-ACO algorithm can be used as an effective technique to investigate the bimodal PSD. Then, the Johnson's SB (J-SB) function and the modified beta (M-β) function are employed as the general distribution function to retrieve the bimodal PSDs under the independent model. Finally, the J-SB and M-β functions are applied to recover actual measurement aerosol PSDs over Beijing and Shanghai obtained from the aerosol robotic network (AERONET). The numerical simulation and experimental results demonstrate that these two general functions, especially the J-SB function, can be used as a versatile distribution function to retrieve the bimodal aerosol PSD when no priori information about the PSD is available.

Spectral action models of gravity on packed swiss cheese cosmology

NASA Astrophysics Data System (ADS)

Ball, Adam; Marcolli, Matilde

2016-06-01

We present a model of (modified) gravity on spacetimes with fractal structure based on packing of spheres, which are (Euclidean) variants of the packed swiss cheese cosmology models. As the action functional for gravity we consider the spectral action of noncommutative geometry, and we compute its expansion on a space obtained as an Apollonian packing of three-dimensional spheres inside a four-dimensional ball. Using information from the zeta function of the Dirac operator of the spectral triple, we compute the leading terms in the asymptotic expansion of the spectral action. They consist of a zeta regularization of the divergent sum of the leading terms of the spectral actions of the individual spheres in the packing. This accounts for the contribution of points 1 and 3 in the dimension spectrum (as in the case of a 3-sphere). There is an additional term coming from the residue at the additional point in the real dimension spectrum that corresponds to the packing constant, as well as a series of fluctuations coming from log-periodic oscillations, created by the points of the dimension spectrum that are off the real line. These terms detect the fractality of the residue set of the sphere packing. We show that the presence of fractality influences the shape of the slow-roll potential for inflation, obtained from the spectral action. We also discuss the effect of truncating the fractal structure at a certain scale related to the energy scale in the spectral action.

Size and shape effects on diffusion and absorption of colloidal particles near a partially absorbing sphere: implications for uptake of nanoparticles in animal cells.

PubMed

Shi, Wendong; Wang, Jizeng; Fan, Xiaojun; Gao, Huajian

2008-12-01

A mechanics model describing how a cell membrane with diffusive mobile receptors wraps around a ligand-coated cylindrical or spherical particle has been recently developed to model the role of particle size in receptor-mediated endocytosis. The results show that particles in the size range of tens to hundreds of nanometers can enter cells even in the absence of clathrin or caveolin coats. Here we report further progress on modeling the effects of size and shape in diffusion, interaction, and absorption of finite-sized colloidal particles near a partially absorbing sphere. Our analysis indicates that, from the diffusion and interaction point of view, there exists an optimal hydrodynamic size of particles, typically in the nanometer regime, for the maximum rate of particle absorption. Such optimal size arises as a result of balance between the diffusion constant of the particles and the interaction energy between the particles and the absorbing sphere relative to the thermal energy. Particles with a smaller hydrodynamic radius have larger diffusion constant but weaker interaction with the sphere while larger particles have smaller diffusion constant but stronger interaction with the sphere. Since the hydrodynamic radius is also determined by the particle shape, an optimal hydrodynamic radius implies an optimal size as well as an optimal aspect ratio for a nonspherical particle. These results show broad agreement with experimental observations and may have general implications on interaction between nanoparticles and animal cells.

Size and shape effects on diffusion and absorption of colloidal particles near a partially absorbing sphere: Implications for uptake of nanoparticles in animal cells

NASA Astrophysics Data System (ADS)

Shi, Wendong; Wang, Jizeng; Fan, Xiaojun; Gao, Huajian

2008-12-01

A mechanics model describing how a cell membrane with diffusive mobile receptors wraps around a ligand-coated cylindrical or spherical particle has been recently developed to model the role of particle size in receptor-mediated endocytosis. The results show that particles in the size range of tens to hundreds of nanometers can enter cells even in the absence of clathrin or caveolin coats. Here we report further progress on modeling the effects of size and shape in diffusion, interaction, and absorption of finite-sized colloidal particles near a partially absorbing sphere. Our analysis indicates that, from the diffusion and interaction point of view, there exists an optimal hydrodynamic size of particles, typically in the nanometer regime, for the maximum rate of particle absorption. Such optimal size arises as a result of balance between the diffusion constant of the particles and the interaction energy between the particles and the absorbing sphere relative to the thermal energy. Particles with a smaller hydrodynamic radius have larger diffusion constant but weaker interaction with the sphere while larger particles have smaller diffusion constant but stronger interaction with the sphere. Since the hydrodynamic radius is also determined by the particle shape, an optimal hydrodynamic radius implies an optimal size as well as an optimal aspect ratio for a nonspherical particle. These results show broad agreement with experimental observations and may have general implications on interaction between nanoparticles and animal cells.

The influence of size and charge of chitosan/polyglutamic acid hollow spheres on cellular internalization, viability and blood compatibility.

PubMed

Dash, Biraja C; Réthoré, Gildas; Monaghan, Michael; Fitzgerald, Kathleen; Gallagher, William; Pandit, Abhay

2010-11-01

Polymeric hollow spheres can be tailored as efficient carriers of various therapeutic molecules due to their tunable properties. However, the entry of these synthetic vehicles into cells, their cell viability and blood compatibility depend on their physical and chemical properties e.g. size, surface charge. Herein, we report the effect of size and surface charge on cell viability and cellular internalization behaviour and their effect on various blood components using chitosan/polyglutamic acid hollow spheres as a model system. Negatively charged chitosan/polyglutamic acid hollow spheres of various sizes 100, 300, 500 and 1000 nm were fabricated using a template based method and covalently surface modified using linear polyethylene glycol and methoxyethanol amine to create a gradient of surface charge from negative to neutrally charged spheres respectively. The results here suggest that both size and surface charge have a significant influence on the sphere's behaviour, most prominently on haemolysis, platelet activation, plasma recalcification time, cell viability and internalization over time. Additionally, cellular internalization behaviour and viability was found to vary with different cell types. These results are in agreement with those of inorganic spheres and liposomes, and can serve as guidelines for tailoring polymeric solid spheres for specific desired applications in biological and pharmaceutical fields, including the design of nanometer to submicron-sized delivery vehicles. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

GEOSIM: A numerical model for geophysical fluid flow simulation

NASA Technical Reports Server (NTRS)

Butler, Karen A.; Miller, Timothy L.; Lu, Huei-Iin

1991-01-01

A numerical model which simulates geophysical fluid flow in a wide range of problems is described in detail, and comparisons of some of the model's results are made with previous experimental and numerical studies. The model is based upon the Boussinesq Navier-Stokes equations in spherical coordinates, which can be reduced to a cylindrical system when latitudinal walls are used near the pole and the ratio of latitudinal length to the radius of the sphere is small. The equations are approximated by finite differences in the meridional plane and spectral decomposition in the azimuthal direction. The user can specify a variety of boundary and initial conditions, and there are five different spectral truncation options. The results of five validation cases are presented: (1) the transition between axisymmetric flow and baroclinic wave flow in the side heated annulus; (2) the steady baroclinic wave of the side heated annulus; (3) the wave amplitude vacillation of the side heated annulus; (4) transition to baroclinic wave flow in a bottom heated annulus; and (5) the Spacelab Geophysical Fluid Flow Cell (spherical) experiment.

Hard Constraints in Optimization Under Uncertainty

NASA Technical Reports Server (NTRS)

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

2008-01-01

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

Effects of pressure and solvents on the infrared absorption intensities of C-I stretching modes of methyl and ethyl iodides in solutions.

PubMed

Isogai, Hideto; Kato, Minoru; Taniguchi, Yoshihiro

2008-02-01

We have investigated effects of pressure and solvents on infrared intensities of methyl and ethyl iodides in solutions using a hydrostatic high-pressure cell with synthetic diamond windows. We focused on the absolute intensity of the C-I stretching mode, which was measured in carbon disulfide solvent up to 300MPa and at 293K, and in n-hexane solvent at 298K. For comparison, we investigated the effect of solvents on the absorption intensity. Effects of pressure and solvents on the infrared intensity were analyzed using two electrostatic models, which assume the shape of solute cavity as sphere or spheroid. The latter model is approximately in agreement with both effects on the intensity, particularly, for the pressure effect. This paper demonstrated that the electrostatic model taking the shape of the cavity into account is useful to explain the medium effect on the infrared intensity and also suggests that more improved models could provide information of the solvation structure from the medium effect on the infrared intensity.

Advancements in Afterbody Radiative Heating Simulations for Earth Entry

NASA Technical Reports Server (NTRS)

Johnston, Christopher O.; Panesi, Marco; Brandis, Aaron M.

2016-01-01

Four advancements to the simulation of backshell radiative heating for Earth entry are presented. The first of these is the development of a flow field model that treats electronic levels of the dominant backshell radiator, N, as individual species. This is shown to allow improvements in the modeling of electron-ion recombination and two-temperature modeling, which are shown to increase backshell radiative heating by 10 to 40%. By computing the electronic state populations of N within the flow field solver, instead of through the quasi-steady state approximation in the radiation code, the coupling of radiative transition rates to the species continuity equations for the levels of N, including the impact of non-local absorption, becomes feasible. Implementation of this additional level of coupling between the flow field and radiation codes represents the second advancement presented in this work, which is shown to increase the backshell radiation by another 10 to 50%. The impact of radiative transition rates due to non-local absorption indicates the importance of accurate radiation transport in the relatively complex flow geometry of the backshell. This motivates the third advancement, which is the development of a ray-tracing radiation transport approach to compute the radiative transition rates and divergence of the radiative flux at every point for coupling to the flow field, therefore allowing the accuracy of the commonly applied tangent-slab approximation to be assessed for radiative source terms. For the sphere considered at lunar-return conditions, the tangent-slab approximation is shown to provide a sufficient level of accuracy for the radiative source terms, even for backshell cases. This is in contrast to the agreement between the two approaches for computing the radiative flux to the surface, which differ by up to 40%. The final advancement presented is the development of a nonequilibrium model for NO radiation, which provides significant backshell radiation at velocities below 10 km/s. The developed model reduces the nonequilibrium NO radiation by 50% relative to the previous model.

Templated fabrication of hollow nanospheres with 'windows' of accurate size and tunable number.

PubMed

Xie, Duan; Hou, Yidong; Su, Yarong; Gao, Fuhua; Du, Jinglei

2015-01-01

The 'windows' or 'doors' on the surface of a closed hollow structure can enable the exchange of material and information between the interior and exterior of one hollow sphere or between two hollow spheres, and this information or material exchange can also be controlled through altering the window' size. Thus, it is very interesting and important to achieve the fabrication and adjustment of the 'windows' or 'doors' on the surface of a closed hollow structure. In this paper, we propose a new method based on the temple-assisted deposition method to achieve the fabrication of hollow spheres with windows of accurate size and number. Through precisely controlling of deposition parameters (i.e., deposition angle and number), hollow spheres with windows of total size from 0% to 50% and number from 1 to 6 have been successfully achieved. A geometrical model has been developed for the morphology simulation and size calculation of the windows, and the simulation results meet well with the experiment. This model will greatly improve the convenience and efficiency of this temple-assisted deposition method. In addition, these hollow spheres with desired windows also can be dispersed into liquid or arranged regularly on any desired substrate. These advantages will maximize their applications in many fields, such as drug transport and nano-research container.

Theory and analysis of a large field polarization imaging system with obliquely incident light.

PubMed

Lu, Xiaotian; Jin, Weiqi; Li, Li; Wang, Xia; Qiu, Su; Liu, Jing

2018-02-05

Polarization imaging technology provides information about not only the irradiance of a target but also the polarization degree and angle of polarization, which indicates extensive application potential. However, polarization imaging theory is based on paraxial optics. When a beam of obliquely incident light passes an analyser, the direction of light propagation is not perpendicular to the surface of the analyser and the applicability of the traditional paraxial optical polarization imaging theory is challenged. This paper investigates a theoretical model of a polarization imaging system with obliquely incident light and establishes a polarization imaging transmission model with a large field of obliquely incident light. In an imaging experiment with an integrating sphere light source and rotatable polarizer, the polarization imaging transmission model is verified and analysed for two cases of natural light and linearly polarized light incidence. Although the results indicate that the theoretical model is consistent with the experimental results, the theoretical model distinctly differs from the traditional paraxial approximation model. The results prove the accuracy and necessity of the theoretical model and the theoretical guiding significance for theoretical and systematic research of large field polarization imaging.