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Sample records for density gradient solution

  1. OptiPrep? Density Gradient Solutions for Macromolecules and Macromolecular Complexes

    Directory of Open Access Journals (Sweden)

    John Graham

    2002-01-01

    Full Text Available Any density gradient for the isolation of mammalian cells should ideally only expose the sedimenting particles to an increasing concentration of the gradient solute. Thus they will experience only an increasing density and viscosity, other parameters such as osmolality, pH, ionic strength and the concentration of important additives (such as EDTA or divalent cations should remain as close to constant as possible. This Protocol Article describes the strategies for the dilution of OptiPrep™ in order to prepare such solutions for mammalian cells.

  2. Analytic solutions for Rayleigh-Taylor growth rates in smooth density gradients

    International Nuclear Information System (INIS)

    Munro, D.H.

    1988-01-01

    The growth rate of perturbations on the shell of a laser fusion target can be estimated as √gk , where g is the shell acceleration and k is the transverse wave number of the perturbation. This formula overestimates the growth rate, and should be modified for the effects of density gradients and/or ablation of the unstable interface. The density-gradient effect is explored here analytically. With the use of variational calculus to explore all possible density profiles, the growth rate is shown to exceed √gk/(1+kL) , where L is a typical density-gradient scale length. Density profiles actually exhibiting this minimum growth rate are found

  3. Combining Step Gradients and Linear Gradients in Density.

    Science.gov (United States)

    Kumar, Ashok A; Walz, Jenna A; Gonidec, Mathieu; Mace, Charles R; Whitesides, George M

    2015-06-16

    Combining aqueous multiphase systems (AMPS) and magnetic levitation (MagLev) provides a method to produce hybrid gradients in apparent density. AMPS—solutions of different polymers, salts, or surfactants that spontaneously separate into immiscible but predominantly aqueous phases—offer thermodynamically stable steps in density that can be tuned by the concentration of solutes. MagLev—the levitation of diamagnetic objects in a paramagnetic fluid within a magnetic field gradient—can be arranged to provide a near-linear gradient in effective density where the height of a levitating object above the surface of the magnet corresponds to its density; the strength of the gradient in effective density can be tuned by the choice of paramagnetic salt and its concentrations and by the strength and gradient in the magnetic field. Including paramagnetic salts (e.g., MnSO4 or MnCl2) in AMPS, and placing them in a magnetic field gradient, enables their use as media for MagLev. The potential to create large steps in density with AMPS allows separations of objects across a range of densities. The gradients produced by MagLev provide resolution over a continuous range of densities. By combining these approaches, mixtures of objects with large differences in density can be separated and analyzed simultaneously. Using MagLev to add an effective gradient in density also enables tuning the range of densities captured at an interface of an AMPS by simply changing the position of the container in the magnetic field. Further, by creating AMPS in which phases have different concentrations of paramagnetic ions, the phases can provide different resolutions in density. These results suggest that combining steps in density with gradients in density can enable new classes of separations based on density.

  4. Microinstabilities in weak density gradient tokamak systems

    International Nuclear Information System (INIS)

    Tang, W.M.; Rewoldt, G.; Chen, L.

    1986-04-01

    A prominent characteristic of auxiliary-heated tokamak discharges which exhibit improved (''H-mode type'') confinement properties is that their density profiles tend to be much flatter over most of the plasma radius. Depsite this favorable trend, it is emphasized here that, even in the limit of zero density gradient, low-frequency microinstabilities can persist due to the nonzero temperature gradient

  5. The effect of density gradients on hydrometers

    Science.gov (United States)

    Heinonen, Martti; Sillanpää, Sampo

    2003-05-01

    Hydrometers are simple but effective instruments for measuring the density of liquids. In this work, we studied the effect of non-uniform density of liquid on a hydrometer reading. The effect induced by vertical temperature gradients was investigated theoretically and experimentally. A method for compensating for the effect mathematically was developed and tested with experimental data obtained with the MIKES hydrometer calibration system. In the tests, the method was found reliable. However, the reliability depends on the available information on the hydrometer dimensions and density gradients.

  6. Is the temperature gradient or the derivative of the density gradient responsible for drift solitons?

    International Nuclear Information System (INIS)

    Salat, A.

    1990-01-01

    In conventional drift wave theory the density gradient κ n =d lnn/dχ determines the linear phase velocity, and the (electron) temperature gradient κ T =d lnT/dχ gives rise to a nonlinear term which leads to the existence of soliton-type solutions and solitary waves. LAKHIN, MIKHAILOVSKI and ONISHCHENKO, Phys. Lett. A 119, 348 (1987) and Plasma Phys. and Contr. Fus. 30, 457 (1988), recently claimed that it is not κ T but essentially the derivative of the density gradient, dκ n /dχ, that is relevant. This claim is refuted by means of an expansion scheme in ε=eΦ/T≤1, where Φ is the drift wave potential. (orig.)

  7. Capitalizing Resolving Power of Density Gradient Ultracentrifugation by Freezing and Precisely Slicing Centrifuged Solution: Enabling Identification of Complex Proteins from Mitochondria by Matrix Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    Haiqing Yu

    2016-01-01

    Full Text Available Density gradient centrifugation is widely utilized for various high purity sample preparations, and density gradient ultracentrifugation (DGU is often used for more resolution-demanding purification of organelles and protein complexes. Accurately locating different isopycnic layers and precisely extracting solutions from these layers play a critical role in achieving high-resolution DGU separations. In this technique note, we develop a DGU procedure by freezing the solution rapidly (but gently after centrifugation to fix the resolved layers and by slicing the frozen solution to fractionate the sample. Because the thickness of each slice can be controlled to be as thin as 10 micrometers, we retain virtually all the resolution produced by DGU. To demonstrate the effectiveness of this method, we fractionate complex V from HeLa mitochondria using a conventional technique and this freezing-slicing (F-S method. The comparison indicates that our F-S method can reduce complex V layer thicknesses by ~40%. After fractionation, we analyze complex V proteins directly on a matrix assisted laser desorption/ionization, time-of-flight mass spectrometer. Twelve out of fifteen subunits of complex V are positively identified. Our method provides a practical protocol to identify proteins from complexes, which is useful to investigate biomolecular complexes and pathways in various conditions and cell types.

  8. Diffusiophoresis in one-dimensional solute gradients

    Energy Technology Data Exchange (ETDEWEB)

    Ault, Jesse T. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Warren, Patrick B. [Unilever R& D Port Sunlight, Bebington (United Kingdom); Shin, Sangwoo [Univ. of Hawaii at Manoa, Honolulu, HI (United States); Stone, Howard A. [Princeton Univ., Princeton, NJ (United States)

    2017-11-06

    Here, the diffusiophoretic motion of suspended colloidal particles under one-dimensional solute gradients is solved using numerical and analytical techniques. Similarity solutions are developed for the injection and withdrawal dynamics of particles into semi-infinite pores. Furthermore, a method of characteristics formulation of the diffusion-free particle transport model is presented and integrated to realize particle trajectories. Analytical solutions are presented for the limit of small particle diffusiophoretic mobility Γp relative to the solute diffusivity Ds for particle motions in both semi-infinite and finite domains. Results confirm the build up of local maxima and minima in the propagating particle front dynamics. The method of characteristics is shown to successfully predict particle motions and the position of the particle front, although it fails to accurately predict suspended particle concentrations in the vicinity of sharp gradients, such as at the particle front peak seen in some injection cases, where particle diffusion inevitably plays an important role. Results inform the design of applications in which the use of applied solute gradients can greatly enhance particle injection into and withdrawal from pores.

  9. Diffusiophoresis in one-dimensional solute gradients

    International Nuclear Information System (INIS)

    Ault, Jesse T.; Warren, Patrick B.; Shin, Sangwoo; Stone, Howard A.

    2017-01-01

    Here, the diffusiophoretic motion of suspended colloidal particles under one-dimensional solute gradients is solved using numerical and analytical techniques. Similarity solutions are developed for the injection and withdrawal dynamics of particles into semi-infinite pores. Furthermore, a method of characteristics formulation of the diffusion-free particle transport model is presented and integrated to realize particle trajectories. Analytical solutions are presented for the limit of small particle diffusiophoretic mobility Γ p relative to the solute diffusivity D s for particle motions in both semi-infinite and finite domains. Results confirm the build up of local maxima and minima in the propagating particle front dynamics. The method of characteristics is shown to successfully predict particle motions and the position of the particle front, although it fails to accurately predict suspended particle concentrations in the vicinity of sharp gradients, such as at the particle front peak seen in some injection cases, where particle diffusion inevitably plays an important role. Results inform the design of applications in which the use of applied solute gradients can greatly enhance particle injection into and withdrawal from pores.

  10. Density Gradient Stabilization of Electron Temperature Gradient Driven Turbulence in a Spherical Tokamak

    International Nuclear Information System (INIS)

    Ren, Y.; Kaye, S.M.; Mazzucato, E.; Guttenfelder, W.; Bell, R.E.; Domier, C.W.; LeBlanc, B.P.; Lee, K.C.; Luhmann, N.C. Jr.; Smith, D.R.; Yuh, H.

    2011-01-01

    In this letter we report the first clear experimental observation of density gradient stabilization of electron temperature gradient driven turbulence in a fusion plasma. It is observed that longer wavelength modes, k (perpendicular) ρ s ∼< 10, are most stabilized by density gradient, and the stabilization is accompanied by about a factor of two decrease in the plasma effective thermal diffusivity.

  11. A density gradient theory based method for surface tension calculations

    DEFF Research Database (Denmark)

    Liang, Xiaodong; Michelsen, Michael Locht; Kontogeorgis, Georgios

    2016-01-01

    The density gradient theory has been becoming a widely used framework for calculating surface tension, within which the same equation of state is used for the interface and bulk phases, because it is a theoretically sound, consistent and computationally affordable approach. Based on the observation...... that the optimal density path from the geometric mean density gradient theory passes the saddle point of the tangent plane distance to the bulk phases, we propose to estimate surface tension with an approximate density path profile that goes through this saddle point. The linear density gradient theory, which...... assumes linearly distributed densities between the two bulk phases, has also been investigated. Numerical problems do not occur with these density path profiles. These two approximation methods together with the full density gradient theory have been used to calculate the surface tension of various...

  12. On the solution of the Hartree-Fock-Bogoliubov equations by the conjugate gradient method

    International Nuclear Information System (INIS)

    Egido, J.L.; Robledo, L.M.

    1995-01-01

    The conjugate gradient method is formulated in the Hilbert space for density and non-density dependent Hamiltonians. We apply it to the solution of the Hartree-Fock-Bogoliubov equations with constraints. As a numerical application we show calculations with the finite range density dependent Gogny force. The number of iterations required to reach convergence is reduced by a factor of three to four as compared with the standard gradient method. (orig.)

  13. Moho Density Contrast in Central Eurasia from GOCE Gravity Gradients

    Directory of Open Access Journals (Sweden)

    Mehdi Eshagh

    2016-05-01

    Full Text Available Seismic data are primarily used in studies of the Earth’s inner structure. Since large parts of the world are not yet sufficiently covered by seismic surveys, products from the Earth’s satellite observation systems have more often been used for this purpose in recent years. In this study we use the gravity-gradient data derived from the Gravity field and steady-state Ocean Circulation Explorer (GOCE, the elevation data from the Shuttle Radar Topography Mission (SRTM and other global datasets to determine the Moho density contrast at the study area which comprises most of the Eurasian plate (including parts of surrounding continental and oceanic tectonic plates. A regional Moho recovery is realized by solving the Vening Meinesz-Moritz’s (VMM inverse problem of isostasy and a seismic crustal model is applied to constrain the gravimetric solution. Our results reveal that the Moho density contrast reaches minima along the mid-oceanic rift zones and maxima under the continental crust. This spatial pattern closely agrees with that seen in the CRUST1.0 seismic crustal model as well as in the KTH1.0 gravimetric-seismic Moho model. However, these results differ considerably from some previously published gravimetric studies. In particular, we demonstrate that there is no significant spatial correlation between the Moho density contrast and Moho deepening under major orogens of Himalaya and Tibet. In fact, the Moho density contrast under most of the continental crustal structure is typically much more uniform.

  14. Destabilization of drift waves due to nonuniform density gradient

    International Nuclear Information System (INIS)

    Hirose, A.; Ishihara, O.

    1985-01-01

    It is shown that the conventional mode differential equation for low frequency electrostatic waves in a tokamak does not contain full ion dynamics. Both electrons and ions contribute to the ballooning term, which is subject to finite ion Larmor radius effects. Also, both fluid ion approximation and kinetic ion model yield the same correction. Reexamined are the density gradient universal mode and ion temperature gradient instability employing the lowest order Pearlstein-Berk type radial eigenfunctions. No unstable, bounded, energy outgoing eigenfunctions have been found. In particular, a large ion temperature gradient (eta/sub i/) tends to further stabilize the temperature gradient driven mode

  15. Density gradients in ceramic pellets measured by computed tomography

    International Nuclear Information System (INIS)

    Sawicka, B.D.; Palmer, B.J.F.

    1986-07-01

    Density gradients are of fundamental importance in ceramic processing and computed tomography (CT) can provide accurate measurements of density profiles in sintered and unsintered ceramic parts. As a demonstration of this potential, the density gradients in an unsintered pellet pressed from an alumina powder were measured by CT scanning. To detect such small density gradients, the CT images must have good density resolution and be free from beam-hardening effects. This was achieved by measuring high-contrast (low-noise) images with the use of an Ir-192 isotopic source. A beam-hardening correction was applied. The resulting images are discussed relative to the transmission of forces through the powder mass during the pelletizing process

  16. Full Gradient Solution to Adaptive Hybrid Control

    Science.gov (United States)

    Bean, Jacob; Schiller, Noah H.; Fuller, Chris

    2017-01-01

    This paper focuses on the adaptation mechanisms in adaptive hybrid controllers. Most adaptive hybrid controllers update two filters individually according to the filtered reference least mean squares (FxLMS) algorithm. Because this algorithm was derived for feedforward control, it does not take into account the presence of a feedback loop in the gradient calculation. This paper provides a derivation of the proper weight vector gradient for hybrid (or feedback) controllers that takes into account the presence of feedback. In this formulation, a single weight vector is updated rather than two individually. An internal model structure is assumed for the feedback part of the controller. The full gradient is equivalent to that used in the standard FxLMS algorithm with the addition of a recursive term that is a function of the modeling error. Some simulations are provided to highlight the advantages of using the full gradient in the weight vector update rather than the approximation.

  17. Graph approach to the gradient expansion of density functionals

    International Nuclear Information System (INIS)

    Kozlowski, P.M.; Nalewajski, R.F.

    1986-01-01

    A graph representation of terms in the gradient expansion of the kinetic energy density functional is presented. They briefly discuss the implications of the virial theorem for the graph structure and relations between possible graphs at a given order of expansion

  18. Effect of Crustal Density Structures on GOCE Gravity Gradient Observables

    Directory of Open Access Journals (Sweden)

    Robert Tenzer Pavel Novák

    2013-01-01

    Full Text Available We investigate the gravity gradient components corrected for major known anomalous density structures within the Earth¡¦s crust. Heterogeneous mantle density structures are disregarded. The gravimetric forward modeling technique is utilized to compute the gravity gradients based on methods for a spherical harmonic analysis and synthesis of a gravity field. The Earth¡¦s gravity gradient components are generated using the global geopotential model GOCO-03s. The topographic and stripping gravity corrections due to the density contrasts of the ocean and ice are computed from the global topographic/bathymetric model DTM2006.0 (which also includes the ice-thickness dataset. The discrete data of sediments and crust layers taken from the CRUST2.0 global crustal model are then used to apply the additional stripping corrections for sediments and remaining anomalous crustal density structures. All computations are realized globally on a one arc-deg geographical grid at a mean satellite elevation of 255 km. The global map of the consolidated crust-stripped gravity gradients reveals distinctive features which are attributed to global tectonics, lithospheric plate configuration, lithosphere structure and mantle dynamics (e.g., glacial isostatic adjustment, mantle convection. The Moho signature, which is the most pronounced signal in these refined gravity gradients, is superimposed over a weaker gravity signal of the lithospheric mantle. An interpretational quality of the computed (refined gravity gradient components is mainly limited by a low accuracy and resolution of the CRUST2.0 sediment and crustal layer data and unmodeled mantle structures.

  19. Modelling CO2-Brine Interfacial Tension using Density Gradient Theory

    KAUST Repository

    Ruslan, Mohd Fuad Anwari Che

    2018-03-01

    Knowledge regarding carbon dioxide (CO2)-brine interfacial tension (IFT) is important for petroleum industry and Carbon Capture and Storage (CCS) strategies. In petroleum industry, CO2-brine IFT is especially importance for CO2 – based enhanced oil recovery strategy as it affects phase behavior and fluid transport in porous media. CCS which involves storing CO2 in geological storage sites also requires understanding regarding CO2-brine IFT as this parameter affects CO2 quantity that could be securely stored in the storage site. Several methods have been used to compute CO2-brine interfacial tension. One of the methods employed is by using Density Gradient Theory (DGT) approach. In DGT model, IFT is computed based on the component density distribution across the interface. However, current model is only applicable for modelling low to medium ionic strength solution. This limitation is due to the model only considers the increase of IFT due to the changes of bulk phases properties and does not account for ion distribution at interface. In this study, a new modelling strategy to compute CO2-brine IFT based on DGT was proposed. In the proposed model, ion distribution across interface was accounted for by separating the interface to two sections. The saddle point of tangent plane distance where ( ) was defined as the boundary separating the two sections of the interface. Electrolyte is assumed to be present only in the second section which is connected to the bulk liquid phase side. Numerical simulations were performed using the proposed approach for single and mixed salt solutions for three salts (NaCl, KCl, and CaCl2), for temperature (298 K to 443 K), pressure (2 MPa to 70 MPa), and ionic strength (0.085 mol·kg-1 to 15 mol·kg-1). The simulation result shows that the tuned model was able to predict with good accuracy CO2-brine IFT for all studied cases. Comparison with current DGT model showed that the proposed approach yields better match with the experiment data

  20. Gram-scale fractionation of nanodiamonds by density gradient ultracentrifugation

    KAUST Repository

    Peng, Wei

    2013-01-01

    Size is a defining characteristic of nanoparticles; it influences their optical and electronic properties as well as their interactions with molecules and macromolecules. Producing nanoparticles with narrow size distributions remains one of the main challenges to their utilization. At this time, the number of practical approaches to optimize the size distribution of nanoparticles in many interesting materials systems, including diamond nanocrystals, remains limited. Diamond nanocrystals synthesized by detonation protocols-so-called detonation nanodiamonds (DNDs)-are promising systems for drug delivery, photonics, and composites. DNDs are composed of primary particles with diameters mainly <10 nm and their aggregates (ca. 10-500 nm). Here, we introduce a large-scale approach to rate-zonal density gradient ultracentrifugation to obtain monodispersed fractions of nanoparticles in high yields. We use this method to fractionate a highly concentrated and stable aqueous solution of DNDs and to investigate the size distribution of various fractions by dynamic light scattering, analytical ultracentrifugation, transmission electron microscopy and powder X-ray diffraction. This fractionation method enabled us to separate gram-scale amounts of DNDs into several size ranges within a relatively short period of time. In addition, the high product yields obtained for each fraction allowed us to apply the fractionation method iteratively to a particular size range of particles and to collect various fractions of highly monodispersed primary particles. Our method paves the way for in-depth studies of the physical and optical properties, growth, and aggregation mechanism of DNDs. Applications requiring DNDs with specific particle or aggregate sizes are now within reach. © 2013 The Royal Society of Chemistry.

  1. Gradient-based stochastic estimation of the density matrix

    Science.gov (United States)

    Wang, Zhentao; Chern, Gia-Wei; Batista, Cristian D.; Barros, Kipton

    2018-03-01

    Fast estimation of the single-particle density matrix is key to many applications in quantum chemistry and condensed matter physics. The best numerical methods leverage the fact that the density matrix elements f(H)ij decay rapidly with distance rij between orbitals. This decay is usually exponential. However, for the special case of metals at zero temperature, algebraic decay of the density matrix appears and poses a significant numerical challenge. We introduce a gradient-based probing method to estimate all local density matrix elements at a computational cost that scales linearly with system size. For zero-temperature metals, the stochastic error scales like S-(d+2)/2d, where d is the dimension and S is a prefactor to the computational cost. The convergence becomes exponential if the system is at finite temperature or is insulating.

  2. Interacting Eigenmodes of a plasma diode with a density gradient

    International Nuclear Information System (INIS)

    Loefgren, T.; Gunell, H.

    1997-08-01

    The formation of narrow high frequency electric field spikes in plasma density gradients is investigated using one-dimensional particle in cell simulations. It is found that the shape of the plasma density gradient is very important for the spike formation. The spike appears also in simulations with immobile ions showing that a coupling to the ion motion, as for example in wave interactions, is not necessary for the formation of HF spikes. However, the HF spike influences the ion motion, and ion waves are seen in the simulations. It has been found, in experiments and simulations, that the electron velocity distribution function deviates from the Maxwellian distribution. Dispersion relations are calculated using realistic distribution functions. The spike can be seen as a coupled system of two Eigenmodes of a plasma diode fed by the beam-plasma interaction. Based on a simplified fluid description of such Eigenmodes, explanations for the localization of the spike, spatially and in frequency, are given. The density amplitude is comparable with the DC density level close to the cathode. Space charge limits of waves in this region seem to determine the amplitude of the spike through the Poisson's equation

  3. Quasivariational Solutions for First Order Quasilinear Equations with Gradient Constraint

    Science.gov (United States)

    Rodrigues, José Francisco; Santos, Lisa

    2012-08-01

    We prove the existence of solutions for a quasi-variational inequality of evolution with a first order quasilinear operator and a variable convex set which is characterized by a constraint on the absolute value of the gradient that depends on the solution itself. The only required assumption on the nonlinearity of this constraint is its continuity and positivity. The method relies on an appropriate parabolic regularization and suitable a priori estimates. We also obtain the existence of stationary solutions by studying the asymptotic behaviour in time. In the variational case, corresponding to a constraint independent of the solution, we also give uniqueness results.

  4. Density gradient effect on waveguide launching of lower hybrid waves

    International Nuclear Information System (INIS)

    Fichet, M.; Fidone, I.

    1981-01-01

    An extensive numerical investigation of the waveguide-plasma coupling, in the lower hybrid range of frequencies, is presented. The role of a sharp density gradient at the plasma edge is investigated. It is found that, in the case of a very sharp gradient, the accessibility condition |nsub(parallel)|>nsub(c)=(1-ω 2 /ωsub(i)ωsub(e))sup(-1/2) is violated and an appreciable fraction of the total energy is launched in the range |nsub(parallel)|< nsub(c). The case of one, two and four waveguides is considered, and it is found that the general pattern of the energy spectrum is very similar for the three antennas. (author)

  5. Density gradients in the solar plasma observed by interplanetary scintillation

    International Nuclear Information System (INIS)

    Gapper, G.R.; Hewish, A.

    1981-01-01

    A new technique is described which overcomes the limitation set by Fresnel filtering in previous IPS studies of the small-scale density irregularities in the solar plasma. Phase gradients introduced by irregularities larger than the Fresnel limit cause transverse displacements of the small-scale scintillation pattern. In the presence of the solar wind, such refraction effects may be revealed by simultaneous measurements of intensity scintillation at two radio frequencies. Observations show that the structure corresponding to temporal frequencies approximately 0.02 Hz is in agreement with an extrapolation of the Kolmogorov spectrum derived from spacecraft data at lower frequencies. (author)

  6. Prolonged river water pollution due to variable-density flow and solute transport in the riverbed

    Science.gov (United States)

    Jin, Guangqiu; Tang, Hongwu; Li, Ling; Barry, D. A.

    2015-04-01

    A laboratory experiment and numerical modeling were used to examine effects of density gradients on hyporheic flow and solute transport under the condition of a solute pulse input to a river with regular bed forms. Relatively low-density gradients due to an initial salt pulse concentration of 1.55 kg m-3 applied in the experiment were found to modulate significantly the pore-water flow and solute transport in the riverbed. Such density gradients increased downward flow and solute transport in the riverbed by factors up to 1.6. This resulted in a 12.2% increase in the total salt transfer from the water column to the riverbed over the salt pulse period. As the solute pulse passed, the effect of the density gradients reversed, slowing down the release of the solute back to the river water by a factor of 3.7. Numerical modeling indicated that these density effects intensified as salt concentrations in the water column increased. Simulations further showed that the density gradients might even lead to unstable flow and result in solute fingers in the bed of large bed forms. The slow release of solute from the bed back to the river led to a long tail of solute concentration in the river water. These findings have implications for assessment of impact of pollution events on river systems, in particular, long-term effects on both the river water and riverbed due to the hyporheic exchange.

  7. Mineral density volume gradients in normal and diseased human tissues.

    Directory of Open Access Journals (Sweden)

    Sabra I Djomehri

    Full Text Available Clinical computed tomography provides a single mineral density (MD value for heterogeneous calcified tissues containing early and late stage pathologic formations. The novel aspect of this study is that, it extends current quantitative methods of mapping mineral density gradients to three dimensions, discretizes early and late mineralized stages, identifies elemental distribution in discretized volumes, and correlates measured MD with respective calcium (Ca to phosphorus (P and Ca to zinc (Zn elemental ratios. To accomplish this, MD variations identified using polychromatic radiation from a high resolution micro-computed tomography (micro-CT benchtop unit were correlated with elemental mapping obtained from a microprobe X-ray fluorescence (XRF using synchrotron monochromatic radiation. Digital segmentation of tomograms from normal and diseased tissues (N=5 per group; 40-60 year old males contained significant mineral density variations (enamel: 2820-3095 mg/cc, bone: 570-1415 mg/cc, cementum: 1240-1340 mg/cc, dentin: 1480-1590 mg/cc, cementum affected by periodontitis: 1100-1220 mg/cc, hypomineralized carious dentin: 345-1450 mg/cc, hypermineralized carious dentin: 1815-2740 mg/cc, and dental calculus: 1290-1770 mg/cc. A plausible linear correlation between segmented MD volumes and elemental ratios within these volumes was established, and Ca/P ratios for dentin (1.49, hypomineralized dentin (0.32-0.46, cementum (1.51, and bone (1.68 were observed. Furthermore, varying Ca/Zn ratios were distinguished in adapted compared to normal tissues, such as in bone (855-2765 and in cementum (595-990, highlighting Zn as an influential element in prompting observed adaptive properties. Hence, results provide insights on mineral density gradients with elemental concentrations and elemental footprints that in turn could aid in elucidating mechanistic processes for pathologic formations.

  8. Mineral Density Volume Gradients in Normal and Diseased Human Tissues

    Science.gov (United States)

    Djomehri, Sabra I.; Candell, Susan; Case, Thomas; Browning, Alyssa; Marshall, Grayson W.; Yun, Wenbing; Lau, S. H.; Webb, Samuel; Ho, Sunita P.

    2015-01-01

    Clinical computed tomography provides a single mineral density (MD) value for heterogeneous calcified tissues containing early and late stage pathologic formations. The novel aspect of this study is that, it extends current quantitative methods of mapping mineral density gradients to three dimensions, discretizes early and late mineralized stages, identifies elemental distribution in discretized volumes, and correlates measured MD with respective calcium (Ca) to phosphorus (P) and Ca to zinc (Zn) elemental ratios. To accomplish this, MD variations identified using polychromatic radiation from a high resolution micro-computed tomography (micro-CT) benchtop unit were correlated with elemental mapping obtained from a microprobe X-ray fluorescence (XRF) using synchrotron monochromatic radiation. Digital segmentation of tomograms from normal and diseased tissues (N=5 per group; 40-60 year old males) contained significant mineral density variations (enamel: 2820-3095mg/cc, bone: 570-1415mg/cc, cementum: 1240-1340mg/cc, dentin: 1480-1590mg/cc, cementum affected by periodontitis: 1100-1220mg/cc, hypomineralized carious dentin: 345-1450mg/cc, hypermineralized carious dentin: 1815-2740mg/cc, and dental calculus: 1290-1770mg/cc). A plausible linear correlation between segmented MD volumes and elemental ratios within these volumes was established, and Ca/P ratios for dentin (1.49), hypomineralized dentin (0.32-0.46), cementum (1.51), and bone (1.68) were observed. Furthermore, varying Ca/Zn ratios were distinguished in adapted compared to normal tissues, such as in bone (855-2765) and in cementum (595-990), highlighting Zn as an influential element in prompting observed adaptive properties. Hence, results provide insights on mineral density gradients with elemental concentrations and elemental footprints that in turn could aid in elucidating mechanistic processes for pathologic formations. PMID:25856386

  9. Probability density function method for variable-density pressure-gradient-driven turbulence and mixing

    International Nuclear Information System (INIS)

    Bakosi, Jozsef; Ristorcelli, Raymond J.

    2010-01-01

    Probability density function (PDF) methods are extended to variable-density pressure-gradient-driven turbulence. We apply the new method to compute the joint PDF of density and velocity in a non-premixed binary mixture of different-density molecularly mixing fluids under gravity. The full time-evolution of the joint PDF is captured in the highly non-equilibrium flow: starting from a quiescent state, transitioning to fully developed turbulence and finally dissipated by molecular diffusion. High-Atwood-number effects (as distinguished from the Boussinesq case) are accounted for: both hydrodynamic turbulence and material mixing are treated at arbitrary density ratios, with the specific volume, mass flux and all their correlations in closed form. An extension of the generalized Langevin model, originally developed for the Lagrangian fluid particle velocity in constant-density shear-driven turbulence, is constructed for variable-density pressure-gradient-driven flows. The persistent small-scale anisotropy, a fundamentally 'non-Kolmogorovian' feature of flows under external acceleration forces, is captured by a tensorial diffusion term based on the external body force. The material mixing model for the fluid density, an active scalar, is developed based on the beta distribution. The beta-PDF is shown to be capable of capturing the mixing asymmetry and that it can accurately represent the density through transition, in fully developed turbulence and in the decay process. The joint model for hydrodynamics and active material mixing yields a time-accurate evolution of the turbulent kinetic energy and Reynolds stress anisotropy without resorting to gradient diffusion hypotheses, and represents the mixing state by the density PDF itself, eliminating the need for dubious mixing measures. Direct numerical simulations of the homogeneous Rayleigh-Taylor instability are used for model validation.

  10. An Experiment Using Sucrose Density Gradients in the Undergraduate Biochemistry Laboratory.

    Science.gov (United States)

    Turchi, Sandra L.; Weiss, Monica

    1988-01-01

    Describes an experiment to be performed in an undergraduate biochemistry laboratory that is based on a gradient centrifugation system employing a simple bench top centrifuge, a freezer, and frozen surcose gradient solution to separate macromolecules and subcellular components. (CW)

  11. The disparate impact of the ion temperature gradient and the density gradient on edge transport and the low-high transition in tokamaks

    International Nuclear Information System (INIS)

    Kleva, Robert G.; Guzdar, Parvez N.

    2009-01-01

    Steepening of the ion temperature gradient in nonlinear fluid simulations of the edge region of a tokamak plasma causes a rapid degradation in confinement. As the density gradient steepens, there is a continuous improvement in confinement analogous to the low (L) to high (H) transition observed in tokamaks. In contrast, as the ion temperature gradient steepens, there is a rapid increase in the particle and energy fluxes and no L-H transition. For a given pressure gradient, confinement always improves when more of the pressure gradient arises from the density gradient, and less of the pressure gradient arises from the ion temperature gradient.

  12. Acceleration of monte Carlo solution by conjugate gradient method

    International Nuclear Information System (INIS)

    Toshihisa, Yamamoto

    2005-01-01

    The conjugate gradient method (CG) was applied to accelerate Monte Carlo solutions in fixed source problems. The equilibrium model based formulation enables to use CG scheme as well as initial guess to maximize computational performance. This method is available to arbitrary geometry provided that the neutron source distribution in each subregion can be regarded as flat. Even if it is not the case, the method can still be used as a powerful tool to provide an initial guess very close to the converged solution. The major difference of Monte Carlo CG to deterministic CG is that residual error is estimated using Monte Carlo sampling, thus statistical error exists in the residual. This leads to a flow diagram specific to Monte Carlo-CG. Three pre-conditioners were proposed for CG scheme and the performance was compared with a simple 1-D slab heterogeneous test problem. One of them, Sparse-M option, showed an excellent performance in convergence. The performance per unit cost was improved by four times in the test problem. Although direct estimation of efficiency of the method is impossible mainly because of the strong problem-dependence of the optimized pre-conditioner in CG, the method seems to have efficient potential as a fast solution algorithm for Monte Carlo calculations. (author)

  13. Comparison of Corneal Riboflavin Gradients Using Dextran and HPMC Solutions.

    Science.gov (United States)

    Ehmke, Tobias; Seiler, Theo G; Fischinger, Isaak; Ripken, Tammo; Heisterkamp, Alexander; Frueh, Beatrice E

    2016-12-01

    To determine the riboflavin concentration gradient in the anterior corneal stroma when using hydroxypropyl methylcellulose (HPMC) or dextran as the carrier agent. Four different groups of porcine corneas (5 each) were compared regarding the riboflavin concentration in the anterior stroma. Prior to all experiments, stable hydration conditions were established for the corresponding solution. The dextran groups were treated with 0.1% riboflavin in 20% dextran for 10 and 30 minutes and the HPMC groups with 0.1% riboflavin in 1.1% HPMC for 10 and 30 minutes. After imbibition, nonlinear microscopy and consecutive image analysis were used to determine two-photon fluorescence intensities. To determine the riboflavin concentration, corneas were saturated and measured a second time by two-photon microscopy. With this measurement, a proper correction for absorption and scattering could be performed. Ultraviolet-A (UVA) transmission was measured after the application time for each group. Riboflavin concentration decreased with increasing depth and increased with longer application times in all groups. Comparing the dextran for 30 minutes and HPMC for 10 minutes groups, a significantly higher stromal riboflavin concentration was found within the most anterior 70 µm in the dextran group for 30 minutes, whereas deeper than 260 µm HPMC-assisted imbibition for 10 minutes yielded higher concentrations. In dextran-treated corneas, values obtained from pachymetry were substantially reduced, whereas HPMC-assisted imbibition led to a decent swelling. UVA transmission values were higher in dextran-assisted imbibition than in HPMC-assisted imbibition. Stromal riboflavin gradients are similar when applied in dextran for 30 minutes and HPMC for 10 minutes. When using HPMC solutions, a shallower cross-linked volume is expected due to a higher corneal hydration. [J Refract Surg. 2016;32(12):798-802.]. Copyright 2016, SLACK Incorporated.

  14. Conjugate-gradient optimization method for orbital-free density functional calculations.

    Science.gov (United States)

    Jiang, Hong; Yang, Weitao

    2004-08-01

    Orbital-free density functional theory as an extension of traditional Thomas-Fermi theory has attracted a lot of interest in the past decade because of developments in both more accurate kinetic energy functionals and highly efficient numerical methodology. In this paper, we developed a conjugate-gradient method for the numerical solution of spin-dependent extended Thomas-Fermi equation by incorporating techniques previously used in Kohn-Sham calculations. The key ingredient of the method is an approximate line-search scheme and a collective treatment of two spin densities in the case of spin-dependent extended Thomas-Fermi problem. Test calculations for a quartic two-dimensional quantum dot system and a three-dimensional sodium cluster Na216 with a local pseudopotential demonstrate that the method is accurate and efficient. (c) 2004 American Institute of Physics.

  15. Analytic energy gradients for the coupled-cluster singles and doubles method with the density-fitting approximation

    International Nuclear Information System (INIS)

    Bozkaya, Uğur; Sherrill, C. David

    2016-01-01

    An efficient implementation is presented for analytic gradients of the coupled-cluster singles and doubles (CCSD) method with the density-fitting approximation, denoted DF-CCSD. Frozen core terms are also included. When applied to a set of alkanes, the DF-CCSD analytic gradients are significantly accelerated compared to conventional CCSD for larger molecules. The efficiency of our DF-CCSD algorithm arises from the acceleration of several different terms, which are designated as the “gradient terms”: computation of particle density matrices (PDMs), generalized Fock-matrix (GFM), solution of the Z-vector equation, formation of the relaxed PDMs and GFM, back-transformation of PDMs and GFM to the atomic orbital (AO) basis, and evaluation of gradients in the AO basis. For the largest member of the alkane set (C 10 H 22 ), the computational times for the gradient terms (with the cc-pVTZ basis set) are 2582.6 (CCSD) and 310.7 (DF-CCSD) min, respectively, a speed up of more than 8-folds. For gradient related terms, the DF approach avoids the usage of four-index electron repulsion integrals. Based on our previous study [U. Bozkaya, J. Chem. Phys. 141, 124108 (2014)], our formalism completely avoids construction or storage of the 4-index two-particle density matrix (TPDM), using instead 2- and 3-index TPDMs. The DF approach introduces negligible errors for equilibrium bond lengths and harmonic vibrational frequencies.

  16. General approach for solving the density gradient theory in the interfacial tension calculations

    DEFF Research Database (Denmark)

    Liang, Xiaodong; Michelsen, Michael Locht

    2017-01-01

    Within the framework of the density gradient theory, the interfacial tension can be calculated by finding the density profiles that minimize an integral of two terms over the system of infinite width. It is found that the two integrands exhibit a constant difference along the interface for a finite...... property evaluations compared to other methods. The performance of the algorithm with recommended parameters is analyzed for various systems, and the efficiency is further compared with the geometric-mean density gradient theory, which only needs to solve nonlinear algebraic equations. The results show...... that the algorithm is only 5-10 times less efficient than solving the geometric-mean density gradient theory....

  17. Stabilization of electron-scale turbulence by electron density gradient in national spherical torus experiment

    Energy Technology Data Exchange (ETDEWEB)

    Ruiz Ruiz, J.; White, A. E. [MIT-Plasma Science and Fusion Center, Cambridge, Massachusetts 02139 (United States); Ren, Y.; Guttenfelder, W.; Kaye, S. M.; Leblanc, B. P.; Mazzucato, E. [Princeton Plasma Physics Laboratory, Princeton, New Jersey 08543 (United States); Lee, K. C. [National Fusion Research Institute, Daejeon (Korea, Republic of); Domier, C. W. [University of California at Davis, Davis, California 95616 (United States); Smith, D. R. [University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States); Yuh, H. [Nova Photonics, Inc., Princeton, New Jersey 08540 (United States)

    2015-12-15

    Theory and experiments have shown that electron temperature gradient (ETG) turbulence on the electron gyro-scale, k{sub ⊥}ρ{sub e} ≲ 1, can be responsible for anomalous electron thermal transport in NSTX. Electron scale (high-k) turbulence is diagnosed in NSTX with a high-k microwave scattering system [D. R. Smith et al., Rev. Sci. Instrum. 79, 123501 (2008)]. Here we report on stabilization effects of the electron density gradient on electron-scale density fluctuations in a set of neutral beam injection heated H-mode plasmas. We found that the absence of high-k density fluctuations from measurements is correlated with large equilibrium density gradient, which is shown to be consistent with linear stabilization of ETG modes due to the density gradient using the analytical ETG linear threshold in F. Jenko et al. [Phys. Plasmas 8, 4096 (2001)] and linear gyrokinetic simulations with GS2 [M. Kotschenreuther et al., Comput. Phys. Commun. 88, 128 (1995)]. We also found that the observed power of electron-scale turbulence (when it exists) is anti-correlated with the equilibrium density gradient, suggesting density gradient as a nonlinear stabilizing mechanism. Higher density gradients give rise to lower values of the plasma frame frequency, calculated based on the Doppler shift of the measured density fluctuations. Linear gyrokinetic simulations show that higher values of the electron density gradient reduce the value of the real frequency, in agreement with experimental observation. Nonlinear electron-scale gyrokinetic simulations show that high electron density gradient reduces electron heat flux and stiffness, and increases the ETG nonlinear threshold, consistent with experimental observations.

  18. The causal relation between turbulent particle flux and density gradient

    Energy Technology Data Exchange (ETDEWEB)

    Milligen, B. Ph. van; Martín de Aguilera, A.; Hidalgo, C. [CIEMAT - Laboratorio Nacional de Fusión, Avda. Complutense 40, 28040 Madrid (Spain); Carreras, B. A. [BACV Solutions, 110 Mohawk Road, Oak Ridge, Tennessee 37830 (United States); García, L.; Nicolau, J. H. [Universidad Carlos III, 28911 Leganés, Madrid (Spain)

    2016-07-15

    A technique for detecting the causal relationship between fluctuating signals is used to investigate the relation between flux and gradient in fusion plasmas. Both a resistive pressure gradient driven turbulence model and experimental Langmuir probe data from the TJ-II stellarator are studied. It is found that the maximum influence occurs at a finite time lag (non-instantaneous response) and that quasi-periodicities exist. Furthermore, the model results show very long range radial influences, extending over most of the investigated regions, possibly related to coupling effects associated with plasma self-organization. These results clearly show that transport in fusion plasmas is not local and instantaneous, as is sometimes assumed.

  19. Buoyant plumes from solute gradients generated by non-motile Escherichia coli

    International Nuclear Information System (INIS)

    Benoit, M R; Brown, R B; Todd, P; Klaus, D M; Nelson, E S

    2008-01-01

    The effect of hydrodynamic mixing in bacterial populations due to bacterial chemotaxis is a well-described phenomenon known as bioconvection. Here we report the observation of buoyant plumes that result in hydrodynamic mixing, but in contrast to bioconvection the plumes form in the absence of bacterial motility. We propose that the buoyant flow originates from solute gradients created by bacterial metabolism, similar to solute-induced buoyant flow around growing protein crystals. In our experiments, metabolically-active non-motile Escherichia coli were layered along the bottom of flat-bottomed containers. The E. coli consumed glucose in the medium creating a lighter fluid beneath a heavier fluid. The situation is an example of Rayleigh–Taylor instability, in which a lighter fluid pushes on a heavier one. We developed a numerical model to study the effect of E. coli nutrient consumption and by-product excretion on extracellular solute gradients. The model solutions showed reduced-density fluid along the bottom of the fluid domain leading to buoyant plumes, which were qualitatively similar to the experimental plumes. We also used scaling analyses to study the dependence of plume formation on container size and cell size, and to investigate the effect of reduced gravity, such as the microgravity conditions encountered during spaceflight

  20. BMP4 density gradient in disk-shaped confinement

    Science.gov (United States)

    Bozorgui, Behnaz; Teimouri, Hamid; Kolomeisky, Anatoly B.

    We present a quantitative model that explains the scaling of BMP4 gradients during gastrulation and the recent experimental observation that geometric confinement of human embryonic stem cells is sufficient to recapitulate much of germ layer patterning. Based on a assumption that BMP4 diffusion rate is much smaller than the diffusion rate of it's inhibitor molecules, our results confirm that the length-scale which defines germ layer territories does not depend on system size.

  1. Depth perception: cuttlefish (Sepia officinalis) respond to visual texture density gradients.

    Science.gov (United States)

    Josef, Noam; Mann, Ofri; Sykes, António V; Fiorito, Graziano; Reis, João; Maccusker, Steven; Shashar, Nadav

    2014-11-01

    Studies concerning the perceptual processes of animals are not only interesting, but are fundamental to the understanding of other developments in information processing among non-humans. Carefully used visual illusions have been proven to be an informative tool for understanding visual perception. In this behavioral study, we demonstrate that cuttlefish are responsive to visual cues involving texture gradients. Specifically, 12 out of 14 animals avoided swimming over a solid surface with a gradient picture that to humans resembles an illusionary crevasse, while only 5 out of 14 avoided a non-illusionary texture. Since texture gradients are well-known cues for depth perception in vertebrates, we suggest that these cephalopods were responding to the depth illusion created by the texture density gradient. Density gradients and relative densities are key features in distance perception in vertebrates. Our results suggest that they are fundamental features of vision in general, appearing also in cephalopods.

  2. Semiautomated system for the production and analysis of sucrose density gradients

    International Nuclear Information System (INIS)

    Lange, C.S.; Liberman, D.F.

    1974-01-01

    A semiautomated system in DNA damage studies permitting considerable accuracy, speed, and reproducibility in the making and fractionation of sucrose density gradients is described. The system consists of a modified Beckman gradient forming device that makes six gradients simultaneously and delivers them into six 12.5 ml polyallomer centrifuge tubes in such a manner that new material is continuously added to the meniscus of the gradient. The gradients are fractionated three at a time and up to 100 fractions per gradient can be collected automatically directly into scintillation vials with a choice of drop counting or time mode with rinse and automatic addition of scintillation fluid to each vial. The system can process up to six gradients per hour but centrifugation time is usually the limiting factor. With neutral sucrose gradients, sharp, reproducible, monodisperse peaks containing up to 100 percent of the gradient radioactivity are usually obtained but a smaller monodisperse peak containing as little as 3.5 percent of the gradient radioactivity can be detected under conditions where some pairs of molecules might tangle or dimerize. The resolution and reproducibility of this system when used with neutral sucrose gradients is at least the equal if not superior to that commonly claimed for alkaline sucrose gradients. (U.S.)

  3. Noninvasive prenatal diagnosis. Use of density gradient centrifugation, magnetically activated cell sorting and in situ hybridization

    DEFF Research Database (Denmark)

    Campagnoli, C; Multhaupt, H A; Ludomirski, A

    1997-01-01

    OBJECTIVE: To develop a noninvasive method suitable for clinical prenatal diagnosis. STUDY DESIGN: Fetal nucleated erythrocytes were separated from peripheral blood of 17 healthy pregnant women using small magnetically activated cell sorting columns (MiniMACS) following density gradient centrifug...

  4. Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density

    Science.gov (United States)

    Seino, Junji; Kageyama, Ryo; Fujinami, Mikito; Ikabata, Yasuhiro; Nakai, Hiromi

    2018-06-01

    A semi-local kinetic energy density functional (KEDF) was constructed based on machine learning (ML). The present scheme adopts electron densities and their gradients up to third-order as the explanatory variables for ML and the Kohn-Sham (KS) kinetic energy density as the response variable in atoms and molecules. Numerical assessments of the present scheme were performed in atomic and molecular systems, including first- and second-period elements. The results of 37 conventional KEDFs with explicit formulae were also compared with those of the ML KEDF with an implicit formula. The inclusion of the higher order gradients reduces the deviation of the total kinetic energies from the KS calculations in a stepwise manner. Furthermore, our scheme with the third-order gradient resulted in the closest kinetic energies to the KS calculations out of the presented functionals.

  5. Engineering zonal cartilage through bioprinting collagen type II hydrogel constructs with biomimetic chondrocyte density gradient.

    Science.gov (United States)

    Ren, Xiang; Wang, Fuyou; Chen, Cheng; Gong, Xiaoyuan; Yin, Li; Yang, Liu

    2016-07-20

    Cartilage tissue engineering is a promising approach for repairing and regenerating cartilage tissue. To date, attempts have been made to construct zonal cartilage that mimics the cartilaginous matrix in different zones. However, little attention has been paid to the chondrocyte density gradient within the articular cartilage. We hypothesized that the chondrocyte density gradient plays an important role in forming the zonal distribution of extracellular matrix (ECM). In this study, collagen type II hydrogel/chondrocyte constructs were fabricated using a bioprinter. Three groups were created according to the total cell seeding density in collagen type II pre-gel: Group A, 2 × 10(7) cells/mL; Group B, 1 × 10(7) cells/mL; and Group C, 0.5 × 10(7) cells/mL. Each group included two types of construct: one with a biomimetic chondrocyte density gradient and the other with a single cell density. The constructs were cultured in vitro and harvested at 0, 1, 2, and 3 weeks for cell viability testing, reverse-transcription quantitative PCR (RT-qPCR), biochemical assays, and histological analysis. We found that total ECM production was positively correlated with the total cell density in the early culture stage, that the cell density gradient distribution resulted in a gradient distribution of ECM, and that the chondrocytes' biosynthetic ability was affected by both the total cell density and the cell distribution pattern. Our results suggested that zonal engineered cartilage could be fabricated by bioprinting collagen type II hydrogel constructs with a biomimetic cell density gradient. Both the total cell density and the cell distribution pattern should be optimized to achieve synergistic biological effects.

  6. Virus purification by CsCl density gradient using general centrifugation.

    Science.gov (United States)

    Nasukawa, Tadahiro; Uchiyama, Jumpei; Taharaguchi, Satoshi; Ota, Sumire; Ujihara, Takako; Matsuzaki, Shigenobu; Murakami, Hironobu; Mizukami, Keijirou; Sakaguchi, Masahiro

    2017-11-01

    Virus purification by cesium chloride (CsCl) density gradient, which generally requires an expensive ultracentrifuge, is an essential technique in virology. Here, we optimized virus purification by CsCl density gradient using general centrifugation (40,000 × g, 2 h, 4 °C), which showed almost the same purification ability as conventional CsCl density gradient ultracentrifugation (100,000 × g, 1 h, 4 °C) using phages S13' and φEF24C. Moreover, adenovirus strain JM1/1 was also successfully purified by this method. We suggest that general centrifugation can become a less costly alternative to ultracentrifugation for virus purification by CsCl densiy gradient and will thus encourage research in virology.

  7. Space charge profiles in low density polyethylene samples containing a permittivity/conductivity gradient

    DEFF Research Database (Denmark)

    Bambery, K.R.; Fleming, R.J.; Holbøll, Joachim

    2001-01-01

    .5×107 V m-1. Current density was also measured as a function of temperature and field. Space charge due exclusively to the temperature gradient was detected, with density of order 0.01 C m-3. The activation energy associated with the transport of electrons through the bulk was calculated as 0.09 e...

  8. Viscosity and density tables of sodium chloride solutions

    Energy Technology Data Exchange (ETDEWEB)

    Fair, J.A.; Ozbek, H. (comps.)

    1977-04-01

    A file is presented containing tabulated data extracted from the scientific literature on the density and viscosity of aqueous sodium chloride solutions. Also included is a bibliography of the properties of aqueous sodium chloride solutions. (MHR)

  9. The impact of edge gradients in the pressure, density, ion temperature, and electron temperature on edge-localized modes

    International Nuclear Information System (INIS)

    Kleva, Robert G.; Guzdar, Parvez N.

    2011-01-01

    The magnitude of the energy and particle fluxes in simulations of edge-localized modes (ELMs) is determined by the edge gradients in the pressure, density, ion temperature, and electron temperature. The total edge pressure gradient is the dominant influence on ELMs by far. An increase (decrease) of merely 2% in the pressure gradient results in an increase (decrease) of more than a factor of ten in the size of the ELM bursts. At a fixed pressure gradient, the size of the ELM bursts decreases as the density gradient increases, while the size of the bursts increases as the electron temperature gradient or, especially, the ion temperature gradient increases.

  10. Reflection and absorption of ion-acoustic waves in a plasma density gradient

    International Nuclear Information System (INIS)

    Ishihara, O.

    1977-01-01

    Plasma is characterized by electrical quasineutrality and the collective behavior. There exists a longitudinal low-frequency wave called an ion-acoustic wave in a plasma. One problem in the experimental study of ion-acoustic waves has been that sometimes they are observed to be reflected from discharge tube walls, and sometimes to be absorbed. Theoretical computation reveals that a velocity gradient produced by a density gradient plays a significant role in the reflection. The velocity gradient produces the subsonic-supersonic transition and long wavelength waves are reflected before reaching the transition while short wavelength waves penetrate over the transition and are absorbed in the supersonic flow plasma

  11. Analytical solution for the mode conversion equations with steep exponential density profiles

    International Nuclear Information System (INIS)

    Alava, M.J.; Heikkinen, J.A.

    1992-01-01

    A general analytical solution for the converted power from the fast magnetosonic wave to an ion Bernstein wave in a magnetized plasma with an exponential steeply increasing density profile is given in the closed form. The solution covers both the conversion at the lower-hybrid resonance and the conversion through the density gradient for small parallel wave numbers. As an application, the conversion coefficients at the scrape-off layer plasma are estimated in the context of ion cyclotron heating of a tokamak plasma

  12. Numerical modeling of solute transport in a sand tank physical model under varying hydraulic gradient and hydrological stresses

    Science.gov (United States)

    Atlabachew, Abunu; Shu, Longcang; Wu, Peipeng; Zhang, Yongjie; Xu, Yang

    2018-03-01

    This laboratory study improves the understanding of the impacts of horizontal hydraulic gradient, artificial recharge, and groundwater pumping on solute transport through aquifers. Nine experiments and numerical simulations were carried out using a sand tank. The variable-density groundwater flow and sodium chloride transport were simulated using the three-dimensional numerical model SEAWAT. Numerical modelling results successfully reproduced heads and concentrations observed in the sand tank. A higher horizontal hydraulic gradient enhanced the migration of sodium chloride, particularly in the groundwater flow direction. The application of constant artificial recharge increased the spread of the sodium chloride plume in both the longitudinal and lateral directions. In addition, groundwater pumping accelerated spreading of the sodium chloride plume towards the pumping well. Both higher hydraulic gradient and pumping rate generated oval-shaped plumes in the horizontal plane. However, the artificial recharge process produced stretched plumes. These effects of artificial recharge and groundwater pumping were greater under higher hydraulic gradient. The concentration breakthrough curves indicated that emerging solutions never attained the concentration of the originally injected solution. This is probably because of sorption of sodium chloride onto the silica sand and/or the exchange of sodium chloride between the mobile and immobile liquid domains. The fingering and protruding plume shapes in the numerical models constitute instability zones produced by buoyancy-driven flow. Overall, the results have substantiated the influences of hydraulic gradient, boundary condition, artificial recharge, pumping rate and density differences on solute transport through a homogeneous unconfined aquifer. The implications of these findings are important for managing liquid wastes.

  13. A Gradient Based Iterative Solutions for Sylvester Tensor Equations

    Directory of Open Access Journals (Sweden)

    Zhen Chen

    2013-01-01

    proposed by Ding and Chen, 2005, and by using tensor arithmetic concepts, an iterative algorithm and its modification are established to solve the Sylvester tensor equation. Convergence analysis indicates that the iterative solutions always converge to the exact solution for arbitrary initial value. Finally, some examples are provided to show that the proposed algorithms are effective.

  14. Spectroscopic analysis of the density and temperature gradients in the laser-heated gas jet

    International Nuclear Information System (INIS)

    Matthews, D.L.; Lee, R.W.; Auerbach, J.M.

    1981-01-01

    We have performed an analysis of the x-ray spectra produced by a 1.0TW, lambda/sub L/-0.53μm laser-irradiated gas jet. Plasmas produced by ionization of neon, argon and N 2 + SF 6 gases were included in those measurements. Plasma electron density and temperature gradients were obtained by comparison of measured spectra with those produced by computer modeling. Density gradients were also obtained using laser interferometry. The limitations of this technique for plasma diagnosis will be discussed

  15. Lateral transport of solutes in microfluidic channels using electrochemically generated gradients in redox-active surfactants.

    Science.gov (United States)

    Liu, Xiaoyang; Abbott, Nicholas L

    2011-04-15

    We report principles for a continuous flow process that can separate solutes based on a driving force for selective transport that is generated by a lateral concentration gradient of a redox-active surfactant across a microfluidic channel. Microfluidic channels fabricated with gold electrodes lining each vertical wall were used to electrochemically generate concentration gradients of the redox-active surfactant 11-ferrocenylundecyl-trimethylammonium bromide (FTMA) in a direction perpendicular to the flow. The interactions of three solutes (a hydrophobic dye, 1-phenylazo-2-naphthylamine (yellow AB), an amphiphilic molecule, 2-(4,4-difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-s-indacene-3-pentanoyl)-1-hexadecanoyl-sn-glycero-3-phosphocholine (BODIPY C(5)-HPC), and an organic salt, 1-methylpyridinium-3-sulfonate (MPS)) with the lateral gradients in surfactant/micelle concentration were shown to drive the formation of solute-specific concentration gradients. Two distinct physical mechanisms were identified to lead to the solute concentration gradients: solubilization of solutes by micelles and differential adsorption of the solutes onto the walls of the microchannels in the presence of the surfactant concentration gradient. These two mechanisms were used to demonstrate delipidation of a mixture of BODIPY C(5)-HPC (lipid) and MPS and purification of BODIPY C(5)-HPC from a mixture of BODIPY C(5)-HPC and yellow AB. Overall, the results of this study demonstrate that lateral concentration gradients of redox-active surfactants formed within microfluidic channels can be used to transport solutes across the microfluidic channels in a solute-dependent manner. The approach employs electrical potentials (solutions having high ionic strength (>0.1M), and offers the basis of continuous processes for the purification or separation of solutes in microscale systems. © 2011 American Chemical Society

  16. Weak solutions for nonlocal evolution variational inequalities involving gradient constraints and variable exponent

    Directory of Open Access Journals (Sweden)

    Mingqi Xiang

    2013-04-01

    Full Text Available In this article, we study a class of nonlocal quasilinear parabolic variational inequality involving $p(x$-Laplacian operator and gradient constraint on a bounded domain. Choosing a special penalty functional according to the gradient constraint, we transform the variational inequality to a parabolic equation. By means of Galerkin's approximation method, we obtain the existence of weak solutions for this equation, and then through a priori estimates, we obtain the weak solutions of variational inequality.

  17. Numerical Study on Density Gradient Carbon-Carbon Composite for Vertical Launching System

    Science.gov (United States)

    Yoon, Jin-Young; Kim, Chun-Gon; Lim, Juhwan

    2018-04-01

    This study presents new carbon-carbon (C/C) composite that has a density gradient within single material, and estimates its heat conduction performance by a numerical method. To address the high heat conduction of a high-density C/C, which can cause adhesion separation in the steel structures of vertical launching systems, density gradient carbon-carbon (DGCC) composite is proposed due to its exhibiting low thermal conductivity as well as excellent ablative resistance. DGCC is manufactured by hybridizing two different carbonization processes into a single carbon preform. One part exhibits a low density using phenolic resin carbonization to reduce heat conduction, and the other exhibits a high density using thermal gradient-chemical vapor infiltration for excellent ablative resistance. Numerical analysis for DGCC is performed with a heat conduction problem, and internal temperature distributions are estimated by the forward finite difference method. Material properties of the transition density layer, which is inevitably formed during DGCC manufacturing, are assumed to a combination of two density layers for numerical analysis. By comparing numerical results with experimental data, we validate that DGCC exhibits a low thermal conductivity, and it can serve as highly effective ablative material for vertical launching systems.

  18. A gradient estimate for solutions to parabolic equations with discontinuous coefficients

    Directory of Open Access Journals (Sweden)

    Jishan Fan

    2013-04-01

    Full Text Available Li-Vogelius and Li-Nirenberg gave a gradient estimate for solutions of strongly elliptic equations and systems of divergence forms with piecewise smooth coefficients, respectively. The discontinuities of the coefficients are assumed to be given by manifolds of codimension 1, which we called them emph{manifolds of discontinuities}. Their gradient estimate is independent of the distances between manifolds of discontinuities. In this paper, we gave a parabolic version of their results. That is, we gave a gradient estimate for parabolic equations of divergence forms with piecewise smooth coefficients. The coefficients are assumed to be independent of time and their discontinuities are likewise the previous elliptic equations. As an application of this estimate, we also gave a pointwise gradient estimate for the fundamental solution of a parabolic operator with piecewise smooth coefficients. Both gradient estimates are independent of the distances between manifolds of discontinuities.

  19. Correcting the error in neutron moisture probe measurements caused by a water density gradient

    International Nuclear Information System (INIS)

    Wilson, D.J.

    1988-01-01

    If a neutron probe lies in or near a water density gradient, the probe may register a water density different to that at the measuring point. The effect of a thin stratum of soil containing an excess or depletion of water at various distances from a probe in an otherwise homogeneous system has been calculated, producing an 'importance' curve. The effect of these strata can be integrated over the soil region in close proximity to the probe resulting in the net effect of the presence of a water density gradient. In practice, the probe is scanned through the point of interest and the count rate at that point is corrected for the influence of the water density on each side of it. An example shows that the technique can reduce an error of 10 per cent to about 2 per cent

  20. Preparation of synaptic plasma membrane and postsynaptic density proteins using a discontinuous sucrose gradient.

    Science.gov (United States)

    Bermejo, Marie Kristel; Milenkovic, Marija; Salahpour, Ali; Ramsey, Amy J

    2014-09-03

    Neuronal subcellular fractionation techniques allow the quantification of proteins that are trafficked to and from the synapse. As originally described in the late 1960's, proteins associated with the synaptic plasma membrane can be isolated by ultracentrifugation on a sucrose density gradient. Once synaptic membranes are isolated, the macromolecular complex known as the post-synaptic density can be subsequently isolated due to its detergent insolubility. The techniques used to isolate synaptic plasma membranes and post-synaptic density proteins remain essentially the same after 40 years, and are widely used in current neuroscience research. This article details the fractionation of proteins associated with the synaptic plasma membrane and post-synaptic density using a discontinuous sucrose gradient. Resulting protein preparations are suitable for western blotting or 2D DIGE analysis.

  1. Density gradient in SiO 2 films on silicon as revealed by positron annihilation spectroscopy

    Science.gov (United States)

    Revesz, A. G.; Anwand, W.; Brauer, G.; Hughes, H. L.; Skorupa, W.

    2002-06-01

    Positron annihilation spectroscopy of thermally grown and deposited SiO 2 films on silicon shows in a non-destructive manner that these films have a gradient in their density. The gradient is most pronounced for the oxide grown in dry oxygen. Oxidation in water-containing ambient results in an oxide with reduced gradient, similarly to the gradient in the deposited oxide. These observations are in accordance with earlier optical and other studies using stepwise etching or a set of samples of varying thickness. The effective oxygen charge, which is very likely one of the reasons for the difference in the W parameters of silica glass and quartz crystal, could be even higher at some localized configurations in the SiO 2 films resulting in increased positron trapping.

  2. Exact solution of unsteady flow generated by sinusoidal pressure gradient in a capillary tube

    Directory of Open Access Journals (Sweden)

    M. Abdulhameed

    2015-12-01

    Full Text Available In this paper, the mathematical modeling of unsteady second grade fluid in a capillary tube with sinusoidal pressure gradient is developed with non-homogenous boundary conditions. Exact analytical solutions for the velocity profiles have been obtained in explicit forms. These solutions are written as the sum of the steady and transient solutions for small and large times. For growing times, the starting solution reduces to the well-known periodic solution that coincides with the corresponding solution of a Newtonian fluid. Graphs representing the solutions are discussed.

  3. Vertical density gradient in the eastern North Atlantic during the last 30,000 years

    Energy Technology Data Exchange (ETDEWEB)

    Rogerson, M.; Ramirez, J. [University of Hull, Geography Department, Hull (United Kingdom); Bigg, G.R. [University of Sheffield, Department of Geography, Sheffield (United Kingdom); Rohling, E.J. [University of Southampton, National Oceanography Centre, School of Ocean and Earth Science, Southampton (United Kingdom)

    2012-08-15

    Past changes in the density and momentum structure of oceanic circulation are an important aspect of changes in the Atlantic Meridional Overturning Circulation and consequently climate. However, very little is known about past changes in the vertical density structure of the ocean, even very extensively studied systems such as the North Atlantic. Here we exploit the physical controls on the settling depth of the dense Mediterranean water plume derived from the Strait of Gibraltar to obtain the first robust, observations-based, probabilistic reconstruction of the vertical density gradient in the eastern North Atlantic during the last 30,000 years. We find that this gradient was weakened by more than 50%, relative to the present, during the last Glacial Maximum, and that changes in general are associated with reductions in AMOC intensity. However, we find only a small change during Heinrich Event 1 relative to the Last Glacial Maximum, despite strong evidence that overturning was substantially altered. This implies that millennial-scale changes may not be reflected in vertical density structure of the ocean, which may be limited to responses on an ocean-overturning timescale or longer. Regardless, our novel reconstruction of Atlantic density structure can be used as the basis for a dynamical measure for validation of model-based AMOC reconstructions. In addition, our general approach is transferrable to other marginal sea outflow plumes, to provide estimates of oceanic vertical density gradients in other locations. (orig.)

  4. Pitfalls of using the geometric-mean combining rule in the density gradient theory

    DEFF Research Database (Denmark)

    Liang, Xiaodong; Michelsen, Michael Locht; Kontogeorgis, Georgios

    2016-01-01

    It is popular and attractive to model the interfacial tension using the density gradient theory with the geometric-mean combining rule, in which the same equation of state is used for the interface and bulk phases. The computational efficiency is the most important advantage of this theory. In th...

  5. Critical temperature gradient and critical current density in thin films of a type I superconductor

    Energy Technology Data Exchange (ETDEWEB)

    Heubener, R P

    1968-12-16

    Measurements of the critical temperature gradient and the critical current density in superconducting lead films in a transverse magnetic field indicate that the critical current flows predominantly along the surface of the films and that the critical surface currents contribute only very little to the Lorentz force on a fluxoid.

  6. Modified method for labeling human platelets with indium-111 oxine using albumin density-gradient separation

    International Nuclear Information System (INIS)

    Bunting, R.W.; Callahan, R.J.; Finkelstein, S.; Lees, R.S.; Strauss, H.W.

    1982-01-01

    When labeling platelets with indium-111 oxine, albumin density-gradient separation minimizes the time spent to resuspend those platelets that have been centrifuged against a hard surface. Labeling efficiency or platelet viability, as measured by platelet survival or aggregation with adenosine diphosphate, are not adversely affected

  7. Enrichment of unlabeled human Langerhans cells from epidermal cell suspensions by discontinuous density gradient centrifugation

    NARCIS (Netherlands)

    Teunissen, M. B.; Wormmeester, J.; Kapsenberg, M. L.; Bos, J. D.

    1988-01-01

    In this report we introduce an alternative procedure for enrichment of human epidermal Langerhans cells (LC) from epidermal cell suspensions of normal skin. By means of discontinuous Ficoll-Metrizoate density gradient centrifugation, a fraction containing high numbers of viable, more than 80% pure

  8. Microfluidic Adaptation of Density-Gradient Centrifugation for Isolation of Particles and Cells

    Directory of Open Access Journals (Sweden)

    Yuxi Sun

    2017-08-01

    Full Text Available Density-gradient centrifugation is a label-free approach that has been extensively used for cell separations. Though elegant, this process is time-consuming (>30 min, subjects cells to high levels of stress (>350 g and relies on user skill to enable fractionation of cells that layer as a narrow band between the density-gradient medium and platelet-rich plasma. We hypothesized that microfluidic adaptation of this technique could transform this process into a rapid fractionation approach where samples are separated in a continuous fashion while being exposed to lower levels of stress (<100 g for shorter durations of time (<3 min. To demonstrate proof-of-concept, we designed a microfluidic density-gradient centrifugation device and constructed a setup to introduce samples and medium like Ficoll in a continuous, pump-less fashion where cells and particles can be exposed to centrifugal force and separated via different outlets. Proof-of-concept studies using binary mixtures of low-density polystyrene beads (1.02 g/cm3 and high-density silicon dioxide beads (2.2 g/cm3 with Ficoll–Paque (1.06 g/cm3 show that separation is indeed feasible with >99% separation efficiency suggesting that this approach can be further adapted for separation of cells.

  9. Properties of ion temperature gradient and trapped electron modes in tokamak plasmas with inverted density profiles

    Science.gov (United States)

    Du, Huarong; Jhang, Hogun; Hahm, T. S.; Dong, J. Q.; Wang, Z. X.

    2017-12-01

    We perform a numerical study of linear stability of the ion temperature gradient (ITG) mode and the trapped electron mode (TEM) in tokamak plasmas with inverted density profiles. A local gyrokinetic integral equation is applied for this study. From comprehensive parametric scans, we obtain stability diagrams for ITG modes and TEMs in terms of density and temperature gradient scale lengths. The results show that, for the inverted density profile, there exists a normalized threshold temperature gradient above which the ITG mode and the TEM are either separately or simultaneously unstable. The instability threshold of the TEM for the inverted density profile is substantially different from that for normal and flat density profiles. In addition, deviations are found on the ITG threshold from an early analytic theory in sheared slab geometry with the adiabatic electron response [T. S. Hahm and W. M. Tang, Phys. Fluids B 1, 1185 (1989)]. A possible implication of this work on particle transport in pellet fueled tokamak plasmas is discussed.

  10. Mixing of high density solution in vertical upward flow

    International Nuclear Information System (INIS)

    Kumamaru, Hiroshige; Hosogi, Nobuyoshi; Komada, Toshiaki; Fujiwara, Yoshiki

    1999-01-01

    Experimental and analytical studies have been performed in order to provide fundamental data and a numerical calculation model on the mixing of boric acid solution, injected from the standby liquid control system (SLCS), under a low natural circulation flow during an ATWS in a BWR. First, fundamental experiments on the mixing of high-density solution in vertically-upward water flow have been performed by using a small apparatus. Mixing patterns observed in the experiments have been classified to two groups, i.e. complete mixing (entrainment) and incomplete mixing (entrainment). In the complete mixing, the injected high-density solution is mixed (entrained) completely into the vertically-upward water flow. From the experiments, the minimum water flow rates in which the complete mixing (entrainment) is achieved have been obtained for various solution densities and solution injection rates. Secondly, two-dimensional numerical calculations have been performed. A continuity equation for total fluid, momentum equations in two directions and a continuity equation for solute are solved by using the finite difference method for discretization method and by following the MAC method for solution procedure. The calculations have predicted nearly the minimum water flow rate in which the complete mixing is achieved, while the calculations have been performed only for one combination of the solution density and solution injection rate until now. (author)

  11. A gradient estimate for solutions to parabolic equations with discontinuous coefficients

    OpenAIRE

    Fan, Jishan; Kim, Kyoungsun; Nagayasu, Sei; Nakamura, Gen

    2011-01-01

    Li-Vogelius and Li-Nirenberg gave a gradient estimate for solutions of strongly elliptic equations and systems of divergence forms with piecewise smooth coefficients, respectively. The discontinuities of the coefficients are assumed to be given by manifolds of codimension 1, which we called them emph{manifolds of discontinuities}. Their gradient estimate is independent of the distances between manifolds of discontinuities. In this paper, we gave a parabolic version of their results. T...

  12. Strong solutions and instability for the fitness gradient system in evolutionary games between two populations

    Science.gov (United States)

    Xu, Qiuju; Belmonte, Andrew; deForest, Russ; Liu, Chun; Tan, Zhong

    2017-04-01

    In this paper, we study a fitness gradient system for two populations interacting via a symmetric game. The population dynamics are governed by a conservation law, with a spatial migration flux determined by the fitness. By applying the Galerkin method, we establish the existence, regularity and uniqueness of global solutions to an approximate system, which retains most of the interesting mathematical properties of the original fitness gradient system. Furthermore, we show that a Turing instability occurs for equilibrium states of the fitness gradient system, and its approximations.

  13. High frequency electric field spikes formed by electron beam-plasma interaction in plasma density gradients

    International Nuclear Information System (INIS)

    Gunell, H.; Loefgren, T.

    1997-02-01

    In the electron beam-plasma interaction at an electric double layer the beam density is much higher than in the classical beam-plasma experiments. The wave propagation takes place along the density gradient, that is present at the high potential side of the double layer. Such a case is studied experimentally by injecting the electron beam from a plane cathode, without any grids suppressing the gradient, and by particle simulations. The high frequency field concentrates in a sharp 'spike' with a half width of the order of one wavelength. The spike is found to be a standing wave surrounded by regions dominated by propagating waves. It forms at a position where its frequency is close to the local plasma frequency. The spike forms also when the electric field is well below the threshold for modulational instability, and long before a density cavity is formed in the simulations. Particle simulations reveal that, at the spike, there is a backward travelling wave that, when it is strongly damped, accelerates electrons back towards the cathode. In a simulation of a homogeneous plasma without the density gradient no spike is seen, and the wave is purely travelling instead of standing. 9 refs

  14. Electric field spikes formed by electron beam endash plasma interaction in plasma density gradients

    International Nuclear Information System (INIS)

    Gunell, H.; Loefgren, T.

    1997-01-01

    In the electron beam endash plasma interaction at an electric double layer the beam density is much higher than in the classical beam endash plasma experiments. The wave propagation takes place along the density gradient that is present at the high potential side of the double layer. Such a case is studied experimentally by injecting the electron beam from a plane cathode, without any grids suppressing the gradient, and by particle simulations. The high frequency field concentrates in a sharp open-quotes spikeclose quotes with a half width of the order of one wavelength. The spike is found to be a standing wave surrounded by regions dominated by propagating waves. It forms at a position where its frequency is close to the local plasma frequency. The spike forms also when the electric field is well below the threshold for modulational instability, and long before a density cavity is formed in the simulations. Particle simulations reveal that, at the spike, there is a backward traveling wave that, when it is strongly damped, accelerates electrons back towards the cathode. In a simulation of a homogeneous plasma without the density gradient no spike is seen, and the wave is purely travelling instead of standing. copyright 1997 American Institute of Physics

  15. Spinning solutions in general relativity with infinite central density

    Science.gov (United States)

    Flammer, P. D.

    2018-05-01

    This paper presents general relativistic numerical simulations of uniformly rotating polytropes. Equations are developed using MSQI coordinates, but taking a logarithm of the radial coordinate. The result is relatively simple elliptical differential equations. Due to the logarithmic scale, we can resolve solutions with near-singular mass distributions near their center, while the solution domain extends many orders of magnitude larger than the radius of the distribution (to connect with flat space-time). Rotating solutions are found with very high central energy densities for a range of adiabatic exponents. Analytically, assuming the pressure is proportional to the energy density (which is true for polytropes in the limit of large energy density), we determine the small radius behavior of the metric potentials and energy density. This small radius behavior agrees well with the small radius behavior of large central density numerical results, lending confidence to our numerical approach. We compare results with rotating solutions available in the literature, which show good agreement. We study the stability of spherical solutions: instability sets in at the first maximum in mass versus central energy density; this is also consistent with results in the literature, and further lends confidence to the numerical approach.

  16. Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradients

    Energy Technology Data Exchange (ETDEWEB)

    Ringholm, Magnus; Ruud, Kenneth [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø – The Arctic University of Norway, 9037 Tromsø (Norway); Bast, Radovan [Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, AlbaNova University Center, S-10691 Stockholm (Sweden); PDC Center for High Performance Computing, Royal Institute of Technology, S-10044 Stockholm (Sweden); Oggioni, Luca [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø – The Arctic University of Norway, 9037 Tromsø (Norway); Department of Physics G. Occhialini, University of Milano Bicocca, Piazza della scienza 3, 20126 Milan (Italy); Ekström, Ulf [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, 0315 Oslo (Norway)

    2014-10-07

    We present the first analytic calculations of the geometrical gradients of the first hyperpolarizability tensors at the density-functional theory (DFT) level. We use the analytically calculated hyperpolarizability gradients to explore the importance of electron correlation effects, as described by DFT, on hyper-Raman spectra. In particular, we calculate the hyper-Raman spectra of the all-trans and 11-cis isomers of retinal at the Hartree-Fock (HF) and density-functional levels of theory, also allowing us to explore the sensitivity of the hyper-Raman spectra on the geometrical characteristics of these structurally related molecules. We show that the HF results, using B3LYP-calculated vibrational frequencies and force fields, reproduce the experimental data for all-trans-retinal well, and that electron correlation effects are of minor importance for the hyper-Raman intensities.

  17. Iterative solution of the inverse Cauchy problem for an elliptic equation by the conjugate gradient method

    Science.gov (United States)

    Vasil'ev, V. I.; Kardashevsky, A. M.; Popov, V. V.; Prokopev, G. A.

    2017-10-01

    This article presents results of computational experiment carried out using a finite-difference method for solving the inverse Cauchy problem for a two-dimensional elliptic equation. The computational algorithm involves an iterative determination of the missing boundary condition from the override condition using the conjugate gradient method. The results of calculations are carried out on the examples with exact solutions as well as at specifying an additional condition with random errors are presented. Results showed a high efficiency of the iterative method of conjugate gradients for numerical solution

  18. Effects of bunch density gradient in high-gain free-electron lasers

    International Nuclear Information System (INIS)

    Huang, Z.; Kim, K.-J.

    1999-01-01

    The authors investigate effects of the bunch density gradient in self-amplified spontaneous emission (SASE), including the role of coherent spontaneous emission (CSE) in the evolution of the free-electron laser (FEL) process. In the exponential gain regime, the authors solve the coupled Maxwell-Vlasov equations and extend the linear theory to a bunched beam with energy spread. A time-dependent, nonlinear simulation algorithm is used to study the CSE effect and the nonlinear evolution of the radiation pulse

  19. Isolation of human salivary extracellular vesicles by iodixanol density gradient ultracentrifugation and their characterizations

    Directory of Open Access Journals (Sweden)

    Kazuya Iwai

    2016-05-01

    Full Text Available Diagnostic methods that focus on the extracellular vesicles (EVs present in saliva have been attracting great attention because of their non-invasiveness. EVs contain biomolecules such as proteins, messenger RNA (mRNA and microRNA (miRNA, which originate from cells that release EVs, making them an ideal source for liquid biopsy. Although there have been many reports on density-based fractionation of EVs from blood and urine, the number of reports on EVs from saliva has been limited, most probably because of the difficulties in separating EVs from viscous saliva using density gradient centrifugation. This article establishes a protocol for the isolation of EVs from human saliva using density gradient centrifugation. The fractionated salivary EVs were characterized by atomic force microscopy, western blot and reverse transcription polymerase chain reaction. The results indicate that salivary EVs have a smaller diameter (47.8±12.3 nm and higher density (1.11 g/ml than EVs isolated from conditioned cell media (74.0±23.5 nm and 1.06 g/ml, respectively. Additionally, to improve the throughput of density-based fractionation of EVs, the original protocol was further modified by using a fixed angle rotor instead of a swinging rotor. It was also confirmed that several miRNAs were expressed strongly in the EV-marker-expressing fractions.

  20. Subsystem density functional theory with meta-generalized gradient approximation exchange-correlation functionals.

    Science.gov (United States)

    Śmiga, Szymon; Fabiano, Eduardo; Laricchia, Savio; Constantin, Lucian A; Della Sala, Fabio

    2015-04-21

    We analyze the methodology and the performance of subsystem density functional theory (DFT) with meta-generalized gradient approximation (meta-GGA) exchange-correlation functionals for non-bonded molecular systems. Meta-GGA functionals depend on the Kohn-Sham kinetic energy density (KED), which is not known as an explicit functional of the density. Therefore, they cannot be directly applied in subsystem DFT calculations. We propose a Laplacian-level approximation to the KED which overcomes this limitation and provides a simple and accurate way to apply meta-GGA exchange-correlation functionals in subsystem DFT calculations. The so obtained density and energy errors, with respect to the corresponding supermolecular calculations, are comparable with conventional approaches, depending almost exclusively on the approximations in the non-additive kinetic embedding term. An embedding energy error decomposition explains the accuracy of our method.

  1. Travelling waves of density for a fourth-gradient model of fluids

    Science.gov (United States)

    Gouin, Henri; Saccomandi, Giuseppe

    2016-09-01

    In mean-field theory, the non-local state of fluid molecules can be taken into account using a statistical method. The molecular model combined with a density expansion in Taylor series of the fourth order yields an internal energy value relevant to the fourth-gradient model, and the equation of isothermal motions takes then density's spatial derivatives into account for waves travelling in both liquid and vapour phases. At equilibrium, the equation of the density profile across interfaces is more precise than the Cahn and Hilliard equation, and near the fluid's critical point, the density profile verifies an Extended Fisher-Kolmogorov equation, allowing kinks, which converges towards the Cahn-Hillard equation when approaching the critical point. Nonetheless, we also get pulse waves oscillating and generating critical opalescence.

  2. Density gradient instabilities in a neutron inhomogeneous guiding-centre plasma

    International Nuclear Information System (INIS)

    Shoucri, M.M.; Gagne, R.R.J.

    1977-01-01

    The guiding-centre equations for a plasma of cold ions and thermal electrons admit neutral and non-neutral inhomogeneous equilibrium solutions, and the linear stability of these solutions has been recently investigated numerically by Shoucri and Knorr (1975). With arbitrary density profiles, numerical techniques appear to be the only practical way to study the linear stability of the inhomogeneous equilibrium solutions for the guiding centre plasma. However, analytical methods can be applied to some simple types of density profiles. The purpose of the present note is to present some analytical results on the linear instabilities of an inhomogeneous neutral guiding centre plasma. (U.K.)

  3. Droplet and bubble nucleation modeled by density gradient theory – cubic equation of state versus saft model

    Directory of Open Access Journals (Sweden)

    Hrubý Jan

    2012-04-01

    Full Text Available The study presents some preliminary results of the density gradient theory (GT combined with two different equations of state (EoS: the classical cubic equation by van der Waals and a recent approach based on the statistical associating fluid theory (SAFT, namely its perturbed-chain (PC modification. The results showed that the cubic EoS predicted for a given surface tension the density profile with a noticeable defect. Bulk densities predicted by the cubic EoS differed as much as by 100 % from the reference data. On the other hand, the PC-SAFT EoS provided accurate results for density profile and both bulk densities in the large range of temperatures. It has been shown that PC-SAFT is a promising tool for accurate modeling of nucleation using the GT. Besides the basic case of a planar phase interface, the spherical interface was analyzed to model a critical cluster occurring either for nucleation of droplets (condensation or bubbles (boiling, cavitation. However, the general solution for the spherical interface will require some more attention due to its numerical difficulty.

  4. Measurement of acidity and density of plutonium solutions

    International Nuclear Information System (INIS)

    Hofstetter, K.J.; Bowers, D.L.; Kemmerlin, R.P.

    1978-01-01

    The solutions were analyzed for acidity and total Pu concentration at ambient temperature while the density was determined at 25, 35, 45, and 60 0 C. From least squares fitting, it was found that the density could be computed to within 1% of the experimental value using the equation D = 1 + 0.0477[H + ] - 4.25 x 10 -3 [H + ] 2 + 1.477 x 10 -3 [Pu] - (T - 25)/1000

  5. Dynamic microscale temperature gradient in a gold nanorod solution measured by diffraction-limited nanothermometry

    Energy Technology Data Exchange (ETDEWEB)

    Li, Chengmingyue; Gan, Xiaosong; Li, Xiangping; Gu, Min, E-mail: mgu@swin.edu.au [Centre for Micro-Photonics, Faculty of Science, Engineering and Technology, Swinburne University of Technology, Hawthorn, Victoria 3122 (Australia)

    2015-09-21

    We quantify the dynamic microscale temperature gradient in a gold nanorod solution using quantum-dot-based microscopic fluorescence nanothermometry. By incorporating CdSe quantum dots into the solution as a nanothermometer, precise temperature mapping with diffraction-limited spatial resolution and sub-degree temperature resolution is achieved. The acquired data on heat generation and dissipation show an excellent agreement with theoretical simulations. This work reveals an effective approach for noninvasive temperature regulation with localized nanoheaters in microfluidic environment.

  6. Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals.

    Science.gov (United States)

    Furness, James W; Verbeke, Joachim; Tellgren, Erik I; Stopkowicz, Stella; Ekström, Ulf; Helgaker, Trygve; Teale, Andrew M

    2015-09-08

    We present the self-consistent implementation of current-dependent (hybrid) meta-generalized gradient approximation (mGGA) density functionals using London atomic orbitals. A previously proposed generalized kinetic energy density is utilized to implement mGGAs in the framework of Kohn-Sham current density functional theory (KS-CDFT). A unique feature of the nonperturbative implementation of these functionals is the ability to seamlessly explore a wide range of magnetic fields up to 1 au (∼235 kT) in strength. CDFT functionals based on the TPSS and B98 forms are investigated, and their performance is assessed by comparison with accurate coupled-cluster singles, doubles, and perturbative triples (CCSD(T)) data. In the weak field regime, magnetic properties such as magnetizabilities and nuclear magnetic resonance shielding constants show modest but systematic improvements over generalized gradient approximations (GGA). However, in the strong field regime, the mGGA-based forms lead to a significantly improved description of the recently proposed perpendicular paramagnetic bonding mechanism, comparing well with CCSD(T) data. In contrast to functionals based on the vorticity, these forms are found to be numerically stable, and their accuracy at high field suggests that the extension of mGGAs to CDFT via the generalized kinetic energy density should provide a useful starting point for further development of CDFT approximations.

  7. Stationary solution of a time dependent density matrix formalism

    International Nuclear Information System (INIS)

    Tohyama, Mitsuru

    1994-01-01

    A stationary solution of a time-dependent density-matrix formalism, which is an extension of the time-dependent Hartree-Fock theory to include the effects of two-body correlations, is obtained for the Lipkin model hamiltonian, using an adiabatic treatment of the two-body interaction. It is found that the obtained result is a reasonable approximation for the exact solution of the model. (author)

  8. Medicinal Plants Density Along an Altitudinal Gradient in and Around Ayubia National Park

    International Nuclear Information System (INIS)

    Tariq, A.; Adnan, M.; Begum, S.

    2016-01-01

    Medicinal plants are an essential source of livelihood for many rural populations and are currently facing several threats of extinction in temperate Himalaya, such as excessive grazing and collection along altitudinal gradients. The present study was designed to investigate the species density of medicinal plants at different mid-altitude levels (2200, 2300, 2400, and 2500 m above the sea level (a.s.l.) between two forest-use types and to examine the possible association between medicinal plant densities and forest-stand structural variables along the altitudinal gradient. Factorial design analysis of variance showed that the densities of all medicinal plants differed significantly between the forest-use types (p<0.00) and elevation (p<0.00). Moreover, a significant interaction (p<0.04) was also observed between the forest-use types and elevation. In the old-growth forest, density of medicinal plants was 290/40 m/sup 2/ at the higher altitude (2500 m a.s.l.), approximately 1.5-fold less than the 475/40 m/sup 2/ density observed at lower altitude (2200 m a.s.l.). However, in derived woodland, density of medicinal plants at higher altitude was approximately 4-fold less than that at the lower altitude. At these altitudinal levels, medicinal plants densities, such as Valeriana jatamansi, were significantly higher under old-growth forest compared to derived woodland, where they were almost nonexistent. A rapid vulnerability assessment has also shown that Valeriana jatamansi and Viola canescens were highly vulnerable species. Litter cover was the influential variable that was most likely related to medicinal plant density. In conclusion, abundance of medicinal plants decreased along mid-altitude levels in both of the forest-use types. However, this decrease was extremely marked in the derived woodland, and this decline may be due to human activity. Hence, these factors must be considered in future studies to suggest protective measures that can be applied along

  9. Plasma membrane temperature gradients and multiple cell permeabilization induced by low peak power density femtosecond lasers

    Directory of Open Access Journals (Sweden)

    Allen L. Garner

    2016-03-01

    Full Text Available Calculations indicate that selectively heating the extracellular media induces membrane temperature gradients that combine with electric fields and a temperature-induced reduction in the electropermeabilization threshold to potentially facilitate exogenous molecular delivery. Experiments by a wide-field, pulsed femtosecond laser with peak power density far below typical single cell optical delivery systems confirmed this hypothesis. Operating this laser in continuous wave mode at the same average power permeabilized many fewer cells, suggesting that bulk heating alone is insufficient and temperature gradients are crucial for permeabilization. This work suggests promising opportunities for a high throughput, low cost, contactless method for laser mediated exogenous molecule delivery without the complex optics of typical single cell optoinjection, for potential integration into microscope imaging and microfluidic systems.

  10. Nonlinear theory of trapped electron temperature gradient driven turbulence in flat density H-mode plasmas

    International Nuclear Information System (INIS)

    Hahm, T.S.

    1990-12-01

    Ion temperature gradient turbulence based transport models have difficulties reconciling the recent DIII-D H-mode results where the density profile is flat, but χ e > χ i in the core region. In this work, a nonlinear theory is developed for recently discovered ion temperature gradient trapped electron modes propagating in the electron diamagnetic direction. This instability is predicted to be linearly unstable for L Ti /R approx-lt κ θ ρ s approx-lt (L Ti /R) 1/4 . They are also found to be strongly dispersive even at these long wavelengths, thereby suggesting the importance of the wave-particle-wave interactions in the nonlinear saturation phase. The fluctuation spectrum and anomalous fluxes are calculated. In accordance with the trends observed in DIII-D, the predicted electron thermal diffusivity can be larger than the ion thermal diffusivity. 17 refs., 3 figs

  11. Densities concentrations of aqueous of uranyl nitrate solutions

    International Nuclear Information System (INIS)

    Rodrigo Otero, A.; Rodriguez Hernandez, B.; Fernandez Rodriguez, L.

    1966-01-01

    The ratio density-concentration of aqueous uranyl nitrate solutions expressed as U 3 O 8 grams/liter, U grams/liter and hexahydrate uranyl nitrate weight percent at different temperatures, are established. Experimental values are graphically correlated and compared whit some published data. (Author) 2 refs

  12. Chemical bond as a test of density-gradient expansions for kinetic and exchange energies

    International Nuclear Information System (INIS)

    Perdew, J.P.; Levy, M.; Painter, G.S.; Wei, S.; Lagowski, J.B.

    1988-01-01

    Errors in kinetic and exchange contributions to the molecular bonding energy are assessed for approximate density functionals by reference to near-exact Hartree-Fock values. From the molecular calculations of Allan et al. and of Lee and Ghosh, it is demonstrated that the density-gradient expansion does not accurately describe the noninteracting kinetic contribution to the bonding energy, even when this expansion is carried to fourth order and applied in its spin-density-functional form to accurate Hartree-Fock densities. In a related study, it is demonstrated that the overbinding of molecules such as N 2 and F 2 , which occurs in the local-spin-density (LSD) approximation for the exchange-correlation energy, is not attributable to errors in the self-consistent LSD densities. Contrary to expectations based upon the Gunnarsson-Jones nodality argument, it is found that the LSD approximation for the exchange energy can seriously overbind a molecule even when bonding does not create additional nodes in the occupied valence orbitals. LSD and exact values for the exchange contribution to the bonding energy are displayed and discussed for several molecules

  13. The relation between temperature and concentration gradients in superfluid sup 3 He- sup 4 He solutions

    CERN Document Server

    Zadorozhko, A A; Rudavskij, E Y; Chagovets, V K; Sheshin, G A

    2003-01-01

    The temperature and concentration gradients nabla T and nabla x in a superfluid sup 3 He- sup 4 He mixture with an initial concentration 9,8 % of sup 3 He are measured in a temperature range 70-500 mK. The gradients are produced by a steady thermal flow with heating from below. It is shown that the value of nabla x/nabla T observed in the experiment is in good agreement with the theoretical model derived from the temperature and concentration dependences of osmotic pressure. The experimental data permitted us to obtain a thermal diffusion ratio of the solution responsible for the thermal diffusion coefficient.

  14. A novel technique for real-time estimation of edge pedestal density gradients via reflectometer time delay data

    Energy Technology Data Exchange (ETDEWEB)

    Zeng, L., E-mail: zeng@fusion.gat.com; Doyle, E. J.; Rhodes, T. L.; Wang, G.; Sung, C.; Peebles, W. A. [Physics and Astronomy Department, University of California, Los Angeles, California 90095 (United States); Bobrek, M. [Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6006 (United States)

    2016-11-15

    A new model-based technique for fast estimation of the pedestal electron density gradient has been developed. The technique uses ordinary mode polarization profile reflectometer time delay data and does not require direct profile inversion. Because of its simple data processing, the technique can be readily implemented via a Field-Programmable Gate Array, so as to provide a real-time density gradient estimate, suitable for use in plasma control systems such as envisioned for ITER, and possibly for DIII-D and Experimental Advanced Superconducting Tokamak. The method is based on a simple edge plasma model with a linear pedestal density gradient and low scrape-off-layer density. By measuring reflectometer time delays for three adjacent frequencies, the pedestal density gradient can be estimated analytically via the new approach. Using existing DIII-D profile reflectometer data, the estimated density gradients obtained from the new technique are found to be in good agreement with the actual density gradients for a number of dynamic DIII-D plasma conditions.

  15. Isolating peripheral lymphocytes by density gradient centrifugation and magnetic cell sorting.

    Science.gov (United States)

    Brosseron, Frederic; Marcus, Katrin; May, Caroline

    2015-01-01

    Combining density gradient centrifugation with magnetic cell sorting provides a powerful tool to isolate blood cells with high reproducibility, yield, and purity. It also allows for subsequent separation of multiple cell types, resulting in the possibility to analyze different purified fractions from one donor's sample. The centrifugation step divides whole blood into peripheral blood mononuclear cells (PBMC), erythrocytes, and platelet-rich plasma. In the following, lymphocyte subtypes can be consecutively isolated from the PBMC fraction. This chapter describes enrichment of erythrocytes, CD14-positive monocytes and CD3-positive T lymphocytes. Alternatively, other cell types can be targeted by using magnetic beads specific for the desired subpopulation.

  16. Density of nitric acid solutions of plutonium; Densite des solutions nitriques de plutonium

    Energy Technology Data Exchange (ETDEWEB)

    Guibergia, J P [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

    1960-07-01

    The report is intended to furnish an expression making it possible to determine the density of a nitric acid solution of plutonium. Under certain defined experimental conditions, the equation found makes it possible to deduce, for a solution whose concentration, free acidity and temperature are known, the corresponding value of the density of that solution. (author) [French] L'expose a pour but de donner une formule permettant la determination de la densite d'une solution nitrique de plutonium. Suivant certaines conditions experimentales precisees, l'equation trouvee permet, pour une solution dont la concentration, l'acidite libre nitrique et la temperature sont donnees, de deduire la valeur correspondant de la densite de cette solution. (auteur)

  17. Stabilization of the Rayleigh-Taylor instability by convection and thermal conduction in smooth density gradient: WKB analysis

    International Nuclear Information System (INIS)

    Bud'ko, A.B.; Liberman, M.A.; Bondarenko, E.A.

    1992-01-01

    Since development of the RT modes in the ablatively accelerated plasma of laser targets imposes crucial limitations on symmetry of spherical implosions and hence on energy cumulation, it has been the subject of intensive numerical and analytical analysis in the recent years, particularly in the context of inertial confinement fusion. Recent thin-foil ablative-acceleration experiments as well as the results of 2D numerical simulations demonstrated substantial reduction of the instability growth rates compared with the classical theory predictions up to the total stabilization in the short-wavelength limit. The numerical results indicated that the main stabilization mechanism is convection. To derive the scaling laws for the RT growth rates and cut-off wavenumbers in the wide range of flow parameters, analytical solutions attract special interest. The analytical approach based on the discontinuity model was developed to analyze the reduction of the RT growth rates by the plasma convective flow and the thermal conductivity effects. The following major problem arises in the discontinuity approximation, which leaves the solution undetermined: the number of the boundary conditions on the perturbed ablation surface is not sufficient to derive the dispersion equation. One needs additional boundary conditions not associated with the conservation laws on the discontinuity surface to close the system of linearized equations for small perturbations. The stabilization effect of highly structured hydrodynamic profiles was studied by Mikaelian and Munro for a stationary plasma. Nevertheless, no reasonable analytical model was constructed taking into account the combined convective, thermal conductivity and density gradient reduction of the RT growth rates. In this report we develop the analytical approach based on the WKB approximation to analyze the stabilization of the RT modes in plasma with smooth density and velocity gradients. (author) 9 refs., 1 fig

  18. Method and means for a spatial and temporal probe for laser-generated plumes based on density gradients

    Science.gov (United States)

    Yeung, E.S.; Chen, G.

    1990-05-01

    A method and means are disclosed for a spatial and temporal probe for laser generated plumes based on density gradients includes generation of a plume of vaporized material from a surface by an energy source. The probe laser beam is positioned so that the plume passes through the probe laser beam. Movement of the probe laser beam caused by refraction from the density gradient of the plume is monitored. Spatial and temporal information, correlated to one another, is then derived. 15 figs.

  19. Effects of population density and chemical environment on the behavior of Escherichia coli in shallow temperature gradients

    International Nuclear Information System (INIS)

    Demir, Mahmut; Yoney, Anna; Salman, Hanna; Douarche, Carine; Libchaber, Albert

    2011-01-01

    In shallow temperature gradients, changes in temperature that bacteria experience occur over long time scales. Therefore, slow processes such as adaptation, metabolism, chemical secretion and even gene expression become important. Since these are cellular processes, the cell density is an important parameter that affects the bacteria's response. We find that there are four density regimes with distinct behaviors. At low cell density, bacteria do not cause changes in their chemical environment; however, their response to the temperature gradient is strongly influenced by it. In the intermediate cell-density regime, the consumption of nutrients becomes significant and induces a gradient of nutrients opposing the temperature gradient due to higher consumption rate at the high temperature. This causes the bacteria to drift toward low temperature. In the high cell-density regime, interactions among bacteria due to secretion of an attractant lead to a strong local accumulation of bacteria. This together with the gradient of nutrients, resulted from the differential consumption rate, creates a fast propagating pulse of bacterial density. These observations are a result of classical nonlinear population dynamics. At extremely high cell density, a change in the physiological state of the bacteria is observed. The bacteria, at the individual level, become cold seeking. This appears initially as a result of a change in the methylation level of the two most abundant sensing receptors, Tsr and Tar. It is further enforced at an even higher cell density by a change in the expression level of these receptors. (perspective)

  20. Density of simulated americium/curium melter feed solution

    International Nuclear Information System (INIS)

    Rudisill, T.S.

    1997-01-01

    Vitrification will be used to stabilize an americium/curium (Am/Cm) solution presently stored in F-Canyon for eventual transport to Oak Ridge National Laboratory and use in heavy isotope production programs. Prior to vitrification, a series of in-tank oxalate precipitation and nitric/oxalic acid washes will be used to separate these elements and lanthanide fission products from the bulk of the uranium and metal impurities present in the solution. Following nitric acid dissolution and oxalate destruction, the solution will be denitrated and evaporated to a dissolved solids concentration of approximately 100 g/l (on an oxide basis). During the Am/Cm vitrification, an airlift will be used to supply the concentrated feed solution to a constant head tank which drains through a filter and an in-line orifice to the melter. Since the delivery system is sensitive to the physical properties of the feed, a simulated solution was prepared and used to measure the density as a function of temperature between 20 to 70 degrees C. The measured density decreased linearly at a rate of 0.0007 g/cm3/degree C from an average value of 1.2326 g/cm 3 at 20 degrees C to an average value of 1.1973g/cm 3 at 70 degrees C

  1. Density of simulated americium/curium melter feed solution

    Energy Technology Data Exchange (ETDEWEB)

    Rudisill, T.S.

    1997-09-22

    Vitrification will be used to stabilize an americium/curium (Am/Cm) solution presently stored in F-Canyon for eventual transport to Oak Ridge National Laboratory and use in heavy isotope production programs. Prior to vitrification, a series of in-tank oxalate precipitation and nitric/oxalic acid washes will be used to separate these elements and lanthanide fission products from the bulk of the uranium and metal impurities present in the solution. Following nitric acid dissolution and oxalate destruction, the solution will be denitrated and evaporated to a dissolved solids concentration of approximately 100 g/l (on an oxide basis). During the Am/Cm vitrification, an airlift will be used to supply the concentrated feed solution to a constant head tank which drains through a filter and an in-line orifice to the melter. Since the delivery system is sensitive to the physical properties of the feed, a simulated solution was prepared and used to measure the density as a function of temperature between 20 to 70{degrees} C. The measured density decreased linearly at a rate of 0.0007 g/cm3/{degree} C from an average value of 1.2326 g/cm{sup 3} at 20{degrees} C to an average value of 1.1973g/cm{sup 3} at 70{degrees} C.

  2. Processing of semen by density gradient centrifugation selects spermatozoa with longer telomeres for assisted reproduction techniques.

    Science.gov (United States)

    Yang, Qingling; Zhang, Nan; Zhao, Feifei; Zhao, Wanli; Dai, Shanjun; Liu, Jinhao; Bukhari, Ihtisham; Xin, Hang; Niu, Wenbing; Sun, Yingpu

    2015-07-01

    The ends of eukaryotic chromosomes contain specialized chromatin structures called telomeres, the length of which plays a key role in early human embryonic development. Although the effect of sperm preparation techniques on major sperm characteristics, such as concentration, motility and morphology have been previously documented, the possible status of telomere length and its relation with sperm preparation techniques is not well-known for humans. The aim of this study was to investigate the role of density gradient centrifugation in the selection of spermatozoa with longer telomeres for use in assisted reproduction techniques in 105 samples before and after sperm processing. After density gradient centrifugation, the average telomere length of the sperm was significantly longer (6.51 ± 2.54 versus 5.16 ± 2.29, P average motile sperm rate was significantly higher (77.9 ± 11.8 versus 44.6 ± 11.2, P average DNA fragmentation rate was significantly lower (11.1 ± 5.9 versus 25.9 ± 12.9, P sperm count (rs = 0.58; P sperm with longer telomeres. Copyright © 2015 Reproductive Healthcare Ltd. Published by Elsevier Ltd. All rights reserved.

  3. Approximate Solution of Nonlinear Klein-Gordon Equation Using Sobolev Gradients

    Directory of Open Access Journals (Sweden)

    Nauman Raza

    2016-01-01

    Full Text Available The nonlinear Klein-Gordon equation (KGE models many nonlinear phenomena. In this paper, we propose a scheme for numerical approximation of solutions of the one-dimensional nonlinear KGE. A common approach to find a solution of a nonlinear system is to first linearize the equations by successive substitution or the Newton iteration method and then solve a linear least squares problem. Here, we show that it can be advantageous to form a sum of squared residuals of the nonlinear problem and then find a zero of the gradient. Our scheme is based on the Sobolev gradient method for solving a nonlinear least square problem directly. The numerical results are compared with Lattice Boltzmann Method (LBM. The L2, L∞, and Root-Mean-Square (RMS values indicate better accuracy of the proposed method with less computational effort.

  4. Hyperbolic Method for Dispersive PDEs: Same High-Order of Accuracy for Solution, Gradient, and Hessian

    Science.gov (United States)

    Mazaheri, Alireza; Ricchiuto, Mario; Nishikawa, Hiroaki

    2016-01-01

    In this paper, we introduce a new hyperbolic first-order system for general dispersive partial differential equations (PDEs). We then extend the proposed system to general advection-diffusion-dispersion PDEs. We apply the fourth-order RD scheme of Ref. 1 to the proposed hyperbolic system, and solve time-dependent dispersive equations, including the classical two-soliton KdV and a dispersive shock case. We demonstrate that the predicted results, including the gradient and Hessian (second derivative), are in a very good agreement with the exact solutions. We then show that the RD scheme applied to the proposed system accurately captures dispersive shocks without numerical oscillations. We also verify that the solution, gradient and Hessian are predicted with equal order of accuracy.

  5. Closed-Form Solutions for Gradient Elastic Beams with Geometric Discontinuities by Laplace Transform

    Directory of Open Access Journals (Sweden)

    Mustafa Özgür Yayli

    2013-01-01

    Full Text Available The static bending solution of a gradient elastic beam with external discontinuities is presented by Laplace transform. Its utility lies in the ability to switch differential equations to algebraic forms that are more easily solved. A Laplace transformation is applied to the governing equation which is then solved for the static deflection of the microbeam. The exact static response of the gradient elastic beam with external discontinuities is obtained by applying known initial conditions when the others are derived from boundary conditions. The results are given in a series of figures and compared with their classical counterparts. The main contribution of this paper is to provide a closed-form solution for the static deflection of microbeams under geometric discontinuities.

  6. Linking Soil Physical Parameters Along a Density Gradient in a Loess-Soil Long-Term Experiment

    DEFF Research Database (Denmark)

    Eden, Marie; Møldrup, Per; Schjønning, Per

    2012-01-01

    It is important to understand the impact of texture and organic carbon (OC) on soil structure development. Only few studies investigated this for silt-dominated soils. In this study, soil physical properties were determined on samples from a controlled experiment (Static Fertilization Experiment...... hydraulic conductivity. The management resulted in a distinct gradient in OC. A bulk density gradient developed from differences in amount of clay not complexed with OC. This gradient in bulk density mainly affected content of pores larger than 3 [mu]m. The air-connected porosity measured by a pycnometer...

  7. Analyze the optimal solutions of optimization problems by means of fractional gradient based system using VIM

    Directory of Open Access Journals (Sweden)

    Firat Evirgen

    2016-04-01

    Full Text Available In this paper, a class of Nonlinear Programming problem is modeled with gradient based system of fractional order differential equations in Caputo's sense. To see the overlap between the equilibrium point of the fractional order dynamic system and theoptimal solution of the NLP problem in a longer timespan the Multistage Variational İteration Method isapplied. The comparisons among the multistage variational iteration method, the variationaliteration method and the fourth order Runge-Kutta method in fractional and integer order showthat fractional order model and techniques can be seen as an effective and reliable tool for finding optimal solutions of Nonlinear Programming problems.

  8. Study of Streamers in Gradient Density Air: Table Top Modeling of Red Sprites

    Science.gov (United States)

    Opaits, D. F.; Shneider, M. N.; Howard, P. J.; Miles, R. B.; Milikh, G. M.

    2009-12-01

    Sprites and blue jets develop in the upper atmosphere where ambient density changes drastically over their lengths. Theoretical analysis of Red Sprites [1] and Blue Jets [2,3] are based on the streamer tip parameters’ functional dependence on a local gas density N(h). At the moment there is a lack of experimental data for streamer propagation in a non-uniform ambient gas density. Small scale experiments in controllable conditions are important for validation of analytical models as well as numerical simulations, which can be used for the investigation of real scale plasma phenomena that develop above thunderclouds. Controllable, non-uniform gas density can be achieved in laboratory conditions in super sonic nozzles, fast centrifuges or gas filled tubes with a non-uniform temperature distribution along the axis. The latter approach was used in the present work. A quartz tube, approximately one foot in length, was filled with air at different pressures. A density gradient was created by heating up the top of the tube while keeping the bottom at room temperature. The discharge was initiated by applying a high voltage pulse to a pin electrode at the top of the tube while a flat electrode was grounded at the bottom. Similar to Red Sprites, the streamer propagates downwards into a region of higher density and stops before reaching the lower electrode while the top electrode remains under high potential. This work will present results of streamer propagation at different pressures and voltages. Measurements of current-voltage characteristics as well as integral images will be presented. 1. Y. P.Raizer, G. M. Milikh, M. N. Shneider, and S. V. Novakovski (1998), J. Phys. D: Appl. Phys. 31, 3255-3264. 2. Y. P.Raizer, G. M. Milikh, and M. N. Shneider (2006), Geophys. Res. Lett., 33, L23801 3. Y .P.Raizer, G. M. Milikh, and M. N. Shneider (2007), J. Atmos. & Solat-Terr. Phys, 69, 925-938

  9. Automated structure solution, density modification and model building.

    Science.gov (United States)

    Terwilliger, Thomas C

    2002-11-01

    The approaches that form the basis of automated structure solution in SOLVE and RESOLVE are described. The use of a scoring scheme to convert decision making in macromolecular structure solution to an optimization problem has proven very useful and in many cases a single clear heavy-atom solution can be obtained and used for phasing. Statistical density modification is well suited to an automated approach to structure solution because the method is relatively insensitive to choices of numbers of cycles and solvent content. The detection of non-crystallographic symmetry (NCS) in heavy-atom sites and checking of potential NCS operations against the electron-density map has proven to be a reliable method for identification of NCS in most cases. Automated model building beginning with an FFT-based search for helices and sheets has been successful in automated model building for maps with resolutions as low as 3 A. The entire process can be carried out in a fully automatic fashion in many cases.

  10. Sea surface density gradients in the Nordic Seas during the Holocene as revealed by paired microfossil and isotope proxies

    DEFF Research Database (Denmark)

    Van Nieuwenhove, Nicolas; Hillaire-Marcel, Claude; Bauch, Henning A.

    2016-01-01

    We attempt to assess the Holocene surface-subsurface seawater density gradient on millennial time-scale based on the reconstruction of potential density (σθ) by combining data from dinoflagellate cyst assemblages and planktic foraminiferal (Neogloboquadrina pachyderma (s)) stable oxygen isotopes (δ...

  11. Effects of density gradients and fluctuations at the plasma edge on ECEI measurements at ASDEX Upgrade

    Science.gov (United States)

    Vanovac, B.; Wolfrum, E.; Denk, S. S.; Mink, F.; Laggner, F. M.; Birkenmeier, G.; Willensdorfer, M.; Viezzer, E.; Hoelzl, M.; Freethy, S. J.; Dunne, M. G.; Lessig, A.; Luhmann, N. C., Jr.; the ASDEX Upgrade Team; the EUROfusion MST1 Team

    2018-04-01

    Electron cyclotron emission imaging (ECEI) provides measurements of electron temperature (T e ) and its fluctuations (δT e ). However, when measuring at the plasma edge, in the steep gradient region, radiation transport effects must be taken into account. It is shown that due to these effects, the scrape-off layer region is not accessible to the ECEI measurements in steady state conditions and that the signal is dominated by the shine-through emission. Transient effects, such as filaments, can change the radiation transport locally, but cannot be distinguished from the shine-through. Local density measurements are essential for the correct interpretation of the electron cyclotron emission, since the density fluctuations influence the temperature measurements at the plasma edge. As an example, a low frequency 8 kHz mode, which causes 10%-15% fluctuations in the signal level of the ECEI, is analysed. The same mode has been measured with the lithium beam emission spectroscopy density diagnostic, and is very well correlated in time with high frequency magnetic fluctuations. With radiation transport modelling of the electron cyclotron radiation in the ECEI geometry, it is shown that the density contributes significantly to the radiation temperature (T rad) and the experimental observations have shown the amplitude modulation in both density and temperature measurements. The poloidal velocity of the low frequency mode measured by the ECEI is 3 km s-1. The calculated velocity of the high frequency mode measured with the magnetic pick-up coils is about 25 km s-1. Velocities are compared with the E × B background flow velocity and possible explanations for the origin of the low frequency mode are discussed.

  12. Effect of stable-density stratification on counter gradient flux of a homogeneous shear flow

    Energy Technology Data Exchange (ETDEWEB)

    Lida, Oaki; Nagano, Yasutaka [Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya (Japan). Department of Mechanical Engineering

    2007-01-15

    We performed direct numerical simulations of homogeneous shear flow under stable-density stratification to study the buoyancy effects on the heat and momentum transfer. These numerical data were compared with those of a turbulent channel flow to investigate the similarity between the near-wall turbulence and the homogeneous shear flow. We also investigated the generation mechanism of the persistent CGFs (counter gradient fluxes) appearing at the higher wavenumbers of the cospectrum, and lasting over a long time without oscillation. Spatially, the persistent CGFs are associated with the longitudinal vortical structure, which is elongated in the streamwise direction and typically observed in both homogeneous shear flow and near-wall turbulence. The CGFs appear at both the top and bottom of this longitudinal vortical structure, and expand horizontally with an increase in the Richardson number. It was found that the production and turbulent-diffusion terms are responsible for the distribution of the Reynolds shear stress including the persistent CGFs. The buoyancy term, combined with the swirling motion of the vortex, contributes to expand the persistent CGF regions and decrease the down gradient fluxes. (author)

  13. Purification of Sarcocystis neurona sporocysts from opossum (Didelphis virginiana) using potassium bromide discontinuous density gradient centrifugation.

    Science.gov (United States)

    Elsheikha, Hany M; Murphy, Alice J; Fitzgerald, Scott D; Mansfield, Linda S; Massey, Jeffrey P; Saeed, Mahdi A

    2003-06-01

    This report describes a new, inexpensive procedure for the rapid and efficient purification of Sarcocystis neurona sporocysts from opossum small intestine. S. neurona sporocysts were purified using a discontinuous potassium bromide density gradient. The procedure provides a source of sporocyst wall and sporozoites required for reliable biochemical characterization and for immunological studies directed at characterizing antigens responsible for immunological responses by the host. The examined isolates were identified as S. neurona using random amplified polymorphic DNA primers and restriction endonuclease digestion assays. This method allows the collection of large numbers of highly purified S. neurona sporocysts without loss of sporocyst viability as indicated by propidium iodide permeability and cell culture infectivity assays. In addition, this technique might also be used for sporocyst purification of other Sarcocystis spp.

  14. Resistance scaling for composite fermions in the presence of a density gradient

    International Nuclear Information System (INIS)

    Stormer, H. L.; Tsui, Daniel Chee; Pan, Wei; West, Ken W.; Baldwin, K. W.; Pfeiffer, Loren N.

    2006-01-01

    The magnetoresistance, R xx , at even-denominator fractional fillings, of an ultra high quality two-dimensional electron system at T ∼ 35 mK is observed to be strictly linear in magnetic field, B. While at 35 mK R xx is dominated by the integer and fractional quantum Hall states, at T ≅ 1.2 K an almost perfect linear relationship between R xx and B emerges over the whole magnetic field range except for spikes at the integer quantum Hall states. This linear R xx cannot be understood within the Composite Fermion model, but can be explained through the existence of a density gradient in our sample

  15. Simultaneous solution of the geoid and the surface density anomalies

    Science.gov (United States)

    Ardalan, A. A.; Safari, A.; Karimi, R.; AllahTavakoli, Y.

    2012-04-01

    The main application of the land gravity data in geodesy is "local geoid" or "local gravity field" modeling, whereas the same data could play a vital role for the anomalous mass-density modeling in geophysical explorations. In the realm of local geoid computations based on Geodetic Boundary Value Problems (GBVP), it is needed that the effect of the topographic (or residual terrain) masses be removed via application of the Newton integral in order to perform the downward continuation in a harmonic space. However, harmonization of the downward continuation domain may not be perfectly possible unless accurate information about the mass-density of the topographic masses be available. On the other hand, from the exploration point of view the unwanted topographical masses within the aforementioned procedure could be regarded as the signal. In order to overcome the effect of the remaining masses within the remove step of the GBVP, which cause uncertainties in mathematical modeling of the problem, here we are proposing a methodology for simultaneous solution of the geoid and residual surface density modeling In other words, a new mathematical model will be offered which both provides the needed harmonic space for downward continuation and at the same time accounts for the non-harmonic terms of gravitational field and makes use of it for residual mass density modeling within the topographic region. The presented new model enjoys from uniqueness of the solution, opposite to the inverse application of the Newton integral for mass density modeling which is non-unique, and only needs regularization to remove its instability problem. In this way, the solution of the model provides both the incremental harmonic gravitational potential on surface of the reference ellipsoid as the gravity field model and the lateral surface mass-density variations via the second derivatives of the non harmonic terms of gravitational field. As the case study and accuracy verification, the proposed

  16. Self-similar solutions for multi-species plasma mixing by gradient driven transport

    Science.gov (United States)

    Vold, E.; Kagan, G.; Simakov, A. N.; Molvig, K.; Yin, L.

    2018-05-01

    Multi-species transport of plasma ions across an initial interface between DT and CH is shown to exhibit self-similar species density profiles under 1D isobaric conditions. Results using transport theory from recent studies and using a Maxwell–Stephan multi-species approximation are found to be in good agreement for the self-similar mix profiles of the four ions under isothermal and isobaric conditions. The individual ion species mass flux and molar flux profile results through the mixing layer are examined using transport theory. The sum over species mass flux is confirmed to be zero as required, and the sum over species molar flux is related to a local velocity divergence needed to maintain pressure equilibrium during the transport process. The light ion species mass fluxes are dominated by the diagonal coefficients of the diffusion transport matrix, while for the heaviest ion species (C in this case), the ion flux with only the diagonal term is reduced by about a factor two from that using the full diffusion matrix, implying the heavy species moves more by frictional collisions with the lighter species than by its own gradient force. Temperature gradient forces were examined by comparing profile results with and without imposing constant temperature gradients chosen to be of realistic magnitude for ICF experimental conditions at a fuel-capsule interface (10 μm scale length or greater). The temperature gradients clearly modify the relative concentrations of the ions, for example near the fuel center, however the mixing across the fuel-capsule interface appears to be minimally influenced by the temperature gradient forces within the expected compression and burn time. Discussion considers the application of the self-similar profiles to specific conditions in ICF.

  17. ILUBCG2-11: Solution of 11-banded nonsymmetric linear equation systems by a preconditioned biconjugate gradient routine

    Science.gov (United States)

    Chen, Y.-M.; Koniges, A. E.; Anderson, D. V.

    1989-10-01

    The biconjugate gradient method (BCG) provides an attractive alternative to the usual conjugate gradient algorithms for the solution of sparse systems of linear equations with nonsymmetric and indefinite matrix operators. A preconditioned algorithm is given, whose form resembles the incomplete L-U conjugate gradient scheme (ILUCG2) previously presented. Although the BCG scheme requires the storage of two additional vectors, it converges in a significantly lesser number of iterations (often half), while the number of calculations per iteration remains essentially the same.

  18. Role of Density Gradient Driven Trapped Electron Modes in the H-Mode Inner Core with Electron Heating

    Science.gov (United States)

    Ernst, D.

    2015-11-01

    We present new experiments and nonlinear gyrokinetic simulations showing that density gradient driven TEM (DGTEM) turbulence dominates the inner core of H-Mode plasmas during strong electron heating. Thus α-heating may degrade inner core confinement in H-Mode plasmas with moderate density peaking. These DIII-D low torque quiescent H-mode experiments were designed to study DGTEM turbulence. Gyrokinetic simulations using GYRO (and GENE) closely match not only particle, energy, and momentum fluxes, but also density fluctuation spectra, with and without ECH. Adding 3.4 MW ECH doubles Te /Ti from 0.5 to 1.0, which halves the linear TEM critical density gradient, locally flattening the density profile. Density fluctuations from Doppler backscattering (DBS) intensify near ρ = 0.3 during ECH, displaying a band of coherent fluctuations with adjacent toroidal mode numbers. GYRO closely reproduces the DBS spectrum and its change in shape and intensity with ECH, identifying these as coherent TEMs. Prior to ECH, parallel flow shear lowers the effective nonlinear DGTEM critical density gradient 50%, but is negligible during ECH, when transport displays extreme stiffness in the density gradient. GS2 predictions show the DGTEM can be suppressed, to avoid degradation with electron heating, by broadening the current density profile to attain q0 >qmin > 1 . A related experiment in the same regime varied the electron temperature gradient in the outer half-radius (ρ ~ 0 . 65) using ECH, revealing spatially coherent 2D mode structures in the Te fluctuations measured by ECE imaging. Fourier analysis with modulated ECH finds a threshold in Te profile stiffness. Supported by the US DOE under DE-FC02-08ER54966 and DE-FC02-04ER54698.

  19. Contribution of the ''simple solutions'' concept to estimate density of actinides concentrated solutions

    International Nuclear Information System (INIS)

    Sorel, C.; Moisy, Ph.; Dinh, B.; Blanc, P.

    2000-01-01

    In order to calculate criticality parameters of nuclear fuel solution systems, number density of nuclides are needed and they are generally estimated from density equations. Most of the relations allowing the calculation of the density of aqueous solutions containing the electrolytes HNO 3 -UO 2 (NO 3 ) 2 -Pu(NO 3 ) 4 , usually called 'nitrate dilution laws' are strictly empirical. They are obtained from a fit of assumed polynomial expressions on experimental density data. Out of their interpolation range, such mathematical expressions show discrepancies between calculated and experimental data appearing in the high concentrations range. In this study, a physico-chemical approach based on the isopiestic mixtures rule is suggested. The behaviour followed by these mixtures was first observed in 1936 by Zdanovskii and expressed as: 'Binary solutions (i.e. one electrolyte in water) having a same water activity are mixed without variation of this water activity value'. With regards to this behaviour, a set of basic thermodynamic expressions has been pointed out by Ryazanov and Vdovenko in 1965 concerning enthalpy, entropy, volume of mixtures, activity and osmotic coefficient of the components. In particular, a very simple relation for the density is obtained from the volume mixture expression depending on only two physico-chemical variables: i) concentration of each component in the mixture and in their respectively binary solutions having the same water activity as the mixture and ii), density of each component respectively in the binary solution having the same water activity as the mixture. Therefore, the calculation needs the knowledge of binary data (water activity, density and concentration) of each component at the same temperature as the mixture. Such experimental data are largely published in the literature and are available for nitric acid and uranyl nitrate. Nevertheless, nitric acid binary data show large discrepancies between the authors and need to be

  20. Assessment of plasma impedance probe for measuring electron density and collision frequency in a plasma with spatial and temporal gradients

    International Nuclear Information System (INIS)

    Hopkins, Mark A.; King, Lyon B.

    2014-01-01

    Numerical simulations and experimental measurements were combined to determine the ability of a plasma impedance probe (PIP) to measure plasma density and electron collision frequency in a plasma containing spatial gradients as well as time-varying oscillations in the plasma density. A PIP is sensitive to collision frequency through the width of the parallel resonance in the Re[Z]-vs.-frequency characteristic, while also being sensitive to electron density through the zero-crossing of the Im[Z]-vs.-frequency characteristic at parallel resonance. Simulations of the probe characteristic in a linear plasma gradient indicated that the broadening of Re[Z] due to the spatial gradient obscured the broadening due to electron collision frequency, preventing a quantitative measurement of the absolute collision frequency for gradients considered in this study. Simulation results also showed that the PIP is sensitive to relative changes in electron collision frequency in a spatial density gradient, but a second broadening effect due to time-varying oscillations made collision frequency measurements impossible. The time-varying oscillations had the effect of causing multiple zero-crossings in Im[Z] at parallel resonance. Results of experiments and simulations indicated that the lowest-frequency zero-crossing represented the lowest plasma density in the oscillations and the highest-frequency zero-crossing represented the highest plasma density in the oscillations, thus the PIP probe was found to be an effective tool to measure both the average plasma density as well as the maximum and minimum densities due to temporal oscillations

  1. Analytic energy gradients for orbital-optimized MP3 and MP2.5 with the density-fitting approximation: An efficient implementation.

    Science.gov (United States)

    Bozkaya, Uğur

    2018-03-15

    Efficient implementations of analytic gradients for the orbital-optimized MP3 and MP2.5 and their standard versions with the density-fitting approximation, which are denoted as DF-MP3, DF-MP2.5, DF-OMP3, and DF-OMP2.5, are presented. The DF-MP3, DF-MP2.5, DF-OMP3, and DF-OMP2.5 methods are applied to a set of alkanes and noncovalent interaction complexes to compare the computational cost with the conventional MP3, MP2.5, OMP3, and OMP2.5. Our results demonstrate that density-fitted perturbation theory (DF-MP) methods considered substantially reduce the computational cost compared to conventional MP methods. The efficiency of our DF-MP methods arise from the reduced input/output (I/O) time and the acceleration of gradient related terms, such as computations of particle density and generalized Fock matrices (PDMs and GFM), solution of the Z-vector equation, back-transformations of PDMs and GFM, and evaluation of analytic gradients in the atomic orbital basis. Further, application results show that errors introduced by the DF approach are negligible. Mean absolute errors for bond lengths of a molecular set, with the cc-pCVQZ basis set, is 0.0001-0.0002 Å. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  2. Radar observations of density gradients, electric fields, and plasma irregularities near polar cap patches in the context of the gradient-drift instability

    Science.gov (United States)

    Lamarche, Leslie J.; Makarevich, Roman A.

    2017-03-01

    We present observations of plasma density gradients, electric fields, and small-scale plasma irregularities near a polar cap patch made by the Super Dual Auroral Radar Network radar at Rankin Inlet (RKN) and the northern face of Resolute Bay Incoherent Scatter Radar (RISR-N). RKN echo power and occurrence are analyzed in the context of gradient-drift instability (GDI) theory, with a particular focus on the previously uninvestigated 2-D dependencies on wave propagation, electric field, and gradient vectors, with the latter two quantities evaluated directly from RISR-N measurements. It is shown that higher gradient and electric field components along the wave vector generally lead to the higher observed echo occurrence, which is consistent with the expected higher GDI growth rate, but the relationship with echo power is far less straightforward. The RKN echo power increases monotonically as the predicted linear growth rate approaches zero from negative values but does not continue this trend into positive growth rate values, in contrast with GDI predictions. The observed greater consistency of echo occurrence with GDI predictions suggests that GDI operating in the linear regime can control basic plasma structuring, but measured echo strength may be affected by other processes and factors, such as multistep or nonlinear processes or a shear-driven instability.

  3. Controls on soil solution nitrogen along an altitudinal gradient in the Scottish uplands.

    Science.gov (United States)

    Jackson-Blake, L; Helliwell, R C; Britton, A J; Gibbs, S; Coull, M C; Dawson, L

    2012-08-01

    Nitrogen (N) deposition continues to threaten upland ecosystems, contributing to acidification, eutrophication and biodiversity loss. We present results from a monitoring study aimed at investigating the fate of this deposited N within a pristine catchment in the Cairngorm Mountains (Scotland). Six sites were established along an elevation gradient (486-908 m) spanning the key habitats of temperate maritime uplands. Bulk deposition chemistry, soil carbon content, soil solution chemistry, soil temperature and soil moisture content were monitored over a 5 year period. Results were used to assess spatial variability in soil solution N and to investigate the factors and processes driving this variability. Highest soil solution inorganic N concentrations were found in the alpine soils at the top of the hillslope. Soil carbon stock, soil solution dissolved organic carbon (DOC) and factors representing site hydrology were the best predictors of NO(3)(-) concentration, with highest concentrations at low productivity sites with low DOC and freely-draining soils. These factors act as proxies for changing net biological uptake and soil/water contact time, and therefore support the hypothesis that spatial variations in soil solution NO(3)(-) are controlled by habitat N retention capacity. Soil percent carbon was a better predictor of soil solution inorganic N concentration than mass of soil carbon. NH(4)(+) was less affected by soil hydrology than NO(3)(-) and showed the effects of net mineralization inputs, particularly at Racomitrium heath and peaty sites. Soil solution dissolved organic N concentration was strongly related to both DOC and temperature, with a stronger temperature effect at more productive sites. Due to the spatial heterogeneity in N leaching potential, a fine-scale approach to assessing surface water vulnerability to N leaching is recommended over the broad scale, critical loads approach currently in use, particularly for sensitive areas. Copyright © 2012

  4. Pancreatin-EDTA treatment affects buoyancy of cells in Cohn fraction V protein density gradients without residual effect on cell size.

    Science.gov (United States)

    Sheridan, J W; Simmons, R J

    1983-12-01

    The buoyancy of suspension-grown Mastocytoma P815 X-2 cells in albumin-rich Cohn fraction V protein (CFVP) density gradients was found to be affected by prior incubation of the cells in pancreatin-EDTA salt solution. Whereas in pH 5.2 CFVP, pancreatin-EDTA treated cells behaved as if of reduced density when compared with the control 'undigested' group, in pH 7.3 CFVP they behaved as if of increased density. By contrast, pancreatin-EDTA treatment had no effect on the buoyancy of mastocytoma cells in polyvinylpyrrolidone-coated colloidal silica (PVP-CS, Percoll T.M.) density gradients of either pH 5.2 or pH 7.3. As cell size determinations failed to reveal alterations in cell size either as a direct result of pancreatin-EDTA treatment or as a combined consequence of such treatment and exposure to CFVP either with or without centrifugation, a mechanism involving a change in cell density other than during the centrifugation process itself seems unlikely. Binding studies employing 125I-CFVP, although indicating that CFVP bound to cells at 4 degrees, failed to reveal a pancreatin-EDTA treatment-related difference in the avidity of this binding. Although the mechanism of the pancreatin-EDTA-induced buoyancy shift in CFVP remains obscure, the absence of such an effect in PVP-CS suggests that the latter cell separation solution may more accurately be used to determine cell density.

  5. EUROMECH colloquium 377. Stability and control of shear flows with strong temperature or density gradients. Book of abstracts

    International Nuclear Information System (INIS)

    1998-10-01

    The topics discussed comprise the onset of instability in heated free jets and jets with density gradients, flow past heated/cooled boundaries, atmospheric shear flow, and mathematical modeling of laminar-turbulent transition phenomena. Three contributions have been input to INIS. (P.A.)

  6. Changes in home range sizes and population densities of carnivore species along the natural to urban habitat gradient

    Czech Academy of Sciences Publication Activity Database

    Šálek, Martin; Drahníková, L.; Tkadlec, Emil

    2015-01-01

    Roč. 45, č. 1 (2015), s. 1-14 ISSN 0305-1838 Institutional support: RVO:68081766 Keywords : Carnivores * home range size * natural–urban gradient * population density * review Subject RIV: EG - Zoology Impact factor: 4.116, year: 2015

  7. The effect of shear flow and the density gradient on the Weibel instability growth rate in the dense plasma

    Science.gov (United States)

    Amininasab, S.; Sadighi-Bonabi, R.; Khodadadi Azadboni, F.

    2018-02-01

    Shear stress effect has been often neglected in calculation of the Weibel instability growth rate in laser-plasma interactions. In the present work, the role of the shear stress in the Weibel instability growth rate in the dense plasma with density gradient is explored. By increasing the density gradient, the shear stress threshold is increasing and the range of the propagation angles of growing modes is limited. Therefore, by increasing steps of the density gradient plasma near the relativistic electron beam-emitting region, the Weibel instability occurs at a higher stress flow. Calculations show that the minimum value of the stress rate threshold for linear polarization is greater than that of circular polarization. The Wiebel instability growth rate for linear polarization is 18.3 times circular polarization. One sees that for increasing stress and density gradient effects, there are smaller maximal growth rates for the range of the propagation angles of growing modes /π 2 propagation angles of growing modes /π 2 < θ m i n < π and /3 π 2 < θ m i n < 2 π in circular polarized plasma.

  8. A comparison of density functional theory and coupled cluster methods for the calculation of electric dipole polarizability gradients of methane

    DEFF Research Database (Denmark)

    Paidarová, Ivana; Sauer, Stephan P. A.

    2012-01-01

    We have compared the performance of density functional theory (DFT) using five different exchange-correlation functionals with four coupled cluster theory based wave function methods in the calculation of geometrical derivatives of the polarizability tensor of methane. The polarizability gradient...

  9. Improved integrability of the gradients of solutions of elliptic equations with variable nonlinearity exponent

    International Nuclear Information System (INIS)

    Zhikov, Vasilii V; Pastukhova, Svetlana E

    2008-01-01

    Elliptic equations of p(x)-Laplacian type are investigated. There is a well-known logarithmic condition on the modulus of continuity of the nonlinearity exponent p(x), which ensures that a Laplacian with variable order of nonlinearity inherits many properties of the usual p-Laplacian of constant order. One of these is the so-called improved integrability of the gradient of the solution. It is proved in this paper that this property holds also under a slightly more general condition on the exponent p(x), although then the improvement of integrability is logarithmic rather than power-like. The method put forward is based on a new generalization of Gehring's lemma, which relies upon the reverse Hoelder inequality 'with increased support and exponent on the right-hand side'. A counterexample is constructed that reveals the extent to which the condition on the modulus of continuity obtained is sharp. Bibliography: 28 titles.

  10. Regularized variable metric method versus the conjugate gradient method in solution of radiative boundary design problem

    International Nuclear Information System (INIS)

    Kowsary, F.; Pooladvand, K.; Pourshaghaghy, A.

    2007-01-01

    In this paper, an appropriate distribution of the heating elements' strengths in a radiation furnace is estimated using inverse methods so that a pre-specified temperature and heat flux distribution is attained on the design surface. Minimization of the sum of the squares of the error function is performed using the variable metric method (VMM), and the results are compared with those obtained by the conjugate gradient method (CGM) established previously in the literature. It is shown via test cases and a well-founded validation procedure that the VMM, when using a 'regularized' estimator, is more accurate and is able to reach at a higher quality final solution as compared to the CGM. The test cases used in this study were two-dimensional furnaces filled with an absorbing, emitting, and scattering gas

  11. Improving Rydberg Excitations within Time-Dependent Density Functional Theory with Generalized Gradient Approximations: The Exchange-Enhancement-for-Large-Gradient Scheme.

    Science.gov (United States)

    Li, Shaohong L; Truhlar, Donald G

    2015-07-14

    Time-dependent density functional theory (TDDFT) with conventional local and hybrid functionals such as the local and hybrid generalized gradient approximations (GGA) seriously underestimates the excitation energies of Rydberg states, which limits its usefulness for applications such as spectroscopy and photochemistry. We present here a scheme that modifies the exchange-enhancement factor to improve GGA functionals for Rydberg excitations within the TDDFT framework while retaining their accuracy for valence excitations and for the thermochemical energetics calculated by ground-state density functional theory. The scheme is applied to a popular hybrid GGA functional and tested on data sets of valence and Rydberg excitations and atomization energies, and the results are encouraging. The scheme is simple and flexible. It can be used to correct existing functionals, and it can also be used as a strategy for the development of new functionals.

  12. On the appearance of vorticity and gradient shear bands in wormlike micellar solutions of different CPCl/salt systems

    Energy Technology Data Exchange (ETDEWEB)

    Mütze, Annekathrin, E-mail: muetzea@ethz.ch; Heunemann, Peggy; Fischer, Peter [ETH Zürich, Institute of Food, Nutrition and Health, Schmelzbergstrasse 9, 8092 Zürich (Switzerland)

    2014-11-01

    Wormlike micellar salt/surfactant solutions (X-salicylate, cetylpyridinium chloride) are studied with respect to the applied shear stress, concentration, temperature, and composition of the counterions (X = lithium, sodium, potassium, magnesium, and calcium) of the salicylate salt solute to determine vorticity and gradient shear bands. A combination of rheological measurements, laser technique, video analysis, and rheo-small-angle neutron scattering allow for a detailed exploration of number and types of shear bands. Typical flow curves of the solutions show Newtonian, shear-thinning, and shear-thickening flow behavior. In the shear-thickening regime, the solutions show vorticity and gradient shear bands simultaneously, in which vorticity shear bands dominate the visual effect, while gradient shear bands always coexist and predominate the rheological response. It is shown that gradient shear bands change their phases (turbid, clear) with the same frequency as the shear rate oscillates, whereas vorticity shear bands change their phases with half the frequency of the shear rate. Furthermore, we show that with increasing molecular mass of the counterions the number of gradient shear bands increases, while the number of vorticity shear bands remains constant. The variation of temperature, shear stress, concentration, and counterions results in a predictable change in the rheological behavior and therefore allows adjustment of the number of vorticity shear bands in the shear band regime.

  13. Lithosphere density structure beneath the eastern margin of the Tibetan Plateau and its surrounding areas derived from GOCE gradients data

    Directory of Open Access Journals (Sweden)

    Honglei Li

    2017-05-01

    Full Text Available A three-dimensional density model of the crust and uppermost mantle is determined by the inversion of a set of GOCE gravity and gradients residual anomalies beneath the eastern margin of the Tibetan Plateau and its surrounding areas. In our work, we choose five independent gravity gradients (Txx, Tzz, Txy, Txz, Tyz to perform density inversion. Objective function is given based on Tikhonov regularization theory. Seismic S-wave velocities play the role of initial constraint for the inversion based on a relationship between density and S-wave velocity. Damped Least Square method is used during the inversion. The final density results offer some insights into understanding the underlying geodynamic processes: (1 Low densities in the margin of the Tibet, along with low wave velocity and resistivity results, yield conversions from soft and weak Tibet to the hard and rigid cratons. (2The lowest densities are found in the boundary of the plateau, instead of the whole Tibet indicates that the effects of extrusion stress environment in the margin affect the changes of the substance there. The substances and environments conditioning for the earthquake preparations and strong deformation in this transitional zone. (3 Evident low-D anomaly in the upper and middle crust in the Lasha terrane and Songpan-Ganzi terrane illustrated the eastward sub-ducted of southeastern Tibet, which could be accounts for the frequent volcano and earthquakes there.

  14. Vitality of oligozoospermic semen samples is improved by both swim-up and density gradient centrifugation before cryopreservation.

    Science.gov (United States)

    Counsel, Madeleine; Bellinge, Rhys; Burton, Peter

    2004-05-01

    To ascertain whether washing sperm from oligozoospermic and normozoospermic samples before cryopreservation improves post-thaw vitality. Normozoospermic (n = 18) and oligozoospermic (n = 16) samples were divided into three aliquots. The first aliquot remained untreated and the second and third aliquots were subjected to the swim-up and discontinuous density gradient sperm washing techniques respectively. Vitality staining was performed, samples mixed with cryopreservation media and frozen. Spermatozoa were thawed, stained, and vitality quantified and expressed as the percentage of live spermatozoa present. Post-thaw vitality in untreated aliquots from normozoospermic samples (24.9% +/- 2.3; mean +/- SEM) was significantly higher (unpaired t-tests; P vitality was significantly higher after swim-up in normozoospermic samples (35.6% +/- 2.1; P vitality in oligozoospermic (22.4% +/- 1.0; P vitality in cryopreserved oligozoospermic samples was improved by both the swim-up and density gradient centrifugation washing techniques prior to freezing.

  15. Density gradient effects in weakly nonlinear ablative Rayleigh-Taylor instability

    International Nuclear Information System (INIS)

    Wang, L. F.; Ye, W. H.; He, X. T.

    2012-01-01

    In this research, density gradient effects (i.e., finite thickness of ablation front effects) in ablative Rayleigh-Taylor instability (ARTI), in the presence of preheating within the weakly nonlinear regime, are investigated numerically. We analyze the weak, medium, and strong ablation surfaces which have different isodensity contours, respectively, to study the influences of finite thickness of ablation front on the weakly nonlinear behaviors of ARTI. Linear growth rates, generation coefficients of the second and the third harmonics, and coefficients of the third-order feedback to the fundamental mode are obtained. It is found that the linear growth rate which has a remarkable maximum, is reduced, especially when the perturbation wavelength λ is short and a cut-off perturbation wavelength λ c appears when the perturbation wavelength λ is sufficiently short, where no higher harmonics exists when λ c . The phenomenon of third-order positive feedback to the fundamental mode near the λ c [J. Sanz et al., Phys. Rev. Lett. 89, 195002 (2002); J. Garnier et al., Phys. Rev. Lett. 90, 185003 (2003); J. Garnier and L. Masse, Phys. Plasmas 12, 062707 (2005)] is confirmed in numerical simulations, and the physical mechanism of the third-order positive feedback is qualitatively discussed. Moreover, it is found that generations and growths of the second and the third harmonics are stabilized (suppressed and reduced) by the ablation effect. Meanwhile, the third-order negative feedback to the fundamental mode is also reduced by the ablation effect, and hence, the linear saturation amplitude (typically ∼0.2λ in our simulations) is increased significantly and therefore exceeds the classical prediction 0.1λ, especially for the strong ablation surface with a small perturbation wavelength. Overall, the ablation effect stabilizes the ARTI in the weakly nonlinear regime. Numerical results obtained are in general agreement with the recent weakly nonlinear theories and simulations

  16. Monotonous and oscillation instability of mechanical equilibrium of isothermal three-components mixture with zero-gradient density

    International Nuclear Information System (INIS)

    Zhavrin, Yu.I.; Kosov, V.N.; Kul'zhanov, D.U.; Karataev, K.K.

    2000-01-01

    Presence of two types of instabilities of mechanical equilibrium of a mixture experimentally is shown at an isothermal diffusion of multicomponent system with zero gradient of density/ Theoretically is proved, that partial Rayleigh numbers R 1 , R 2 having different signs, there are two areas with monotonous (R 1 2 < by 0) instability. The experimental data confirm presence of these areas and satisfactory are described by the represented theory. (author)

  17. Application of GelGreen™ in Cesium Chloride Density Gradients for DNA-Stable Isotope Probing Experiments.

    Directory of Open Access Journals (Sweden)

    Jingfeng Gao

    Full Text Available In this study, GelGreen™ was investigated as a replacement for SYBR® Safe to stain DNA in cesium chloride (CsCl density gradients for DNA-stable isotope probing (SIP experiments. Using environmental DNA, the usage of GelGreen™ was optimized for sensitivity compared to SYBR® Safe, its optimal concentration, detection limit for environmental DNA and its application in environmental DNA-SIP assay. Results showed that GelGreen™ was more sensitive than SYBR® Safe, while the optimal dosage (15X concentration needed was approximately one-third of SYBR® Safe, suggesting that its sensitivity was three times more superior than SYBR® Safe. At these optimal parameters, the detection limit of GelGreen™-stained environmental DNA was as low as 0.2 μg, but the usage of 0.5 μg environmental DNA was recommended to produce a more consistent DNA band. In addition, a modified needle extraction procedure was developed to withdraw DNA effectively by fractionating CsCl density gradients into four or five fractions. The successful application of GelGreen™ staining with 13C-labeled DNA from enriched activated sludge suggests that this stain was an excellent alternative of SYBR® Safe in CsCl density gradients for DNA-SIP assays.

  18. Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: An efficient implementation for the density-fitted second-order Møller–Plesset perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Bozkaya, Uğur, E-mail: ugur.bozkaya@atauni.edu.tr [Department of Chemistry, Atatürk University, Erzurum 25240, Turkey and Department of Chemistry, Middle East Technical University, Ankara 06800 (Turkey)

    2014-09-28

    General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller–Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths.

  19. Eternal solutions to a singular diffusion equation with critical gradient absorption

    International Nuclear Information System (INIS)

    Iagar, Razvan Gabriel; Laurençot, Philippe

    2013-01-01

    The existence of non-negative radially symmetric eternal solutions of exponential self-similar type u(t, x) = e −pβt/(2−p) f β (|x|e −βt ; β) is investigated for the singular diffusion equation with critical gradient absorption ∂ t u−Δ p u+|∇u| p/2 =0  in (0,∞)×R N , where 2N/(N + 1) < p < 2. Such solutions are shown to exist only if the parameter β ranges in a bounded interval (0, β * ], which is in sharp contrast to well-known singular diffusion equations, such as ∂ t φ − Δ p φ = 0 when p = 2N/(N + 1), N ⩾ 1, or the porous medium equation ∂ t φ − Δφ m  = 0 when m = (N − 2)/N, N ⩾ 3. Moreover, the profile f(r; β) decays to zero as r → ∞ in a faster way for β = β * than for β ∈ (0, β * ) but the algebraic leading order is the same in both cases. In fact, for large r, f(r; β * ) decays as r −p/(2−p) while f(r; β) behaves as (log r) 2/(2−p) r −p/(2−p) when β ∈ (0, β * ). (paper)

  20. Relating soil solution Zn concentration to diffusive gradients in thin films measurements in contaminated soils.

    Science.gov (United States)

    Degryse, Fien; Smolders, Erik; Oliver, Ian; Zhang, Hao

    2003-09-01

    The technique of diffusive gradients in thin films (DGT) has been suggested to sample an available fraction of metals in soil. The objectives of this study were to compare DGT measurements with commonly measured fractions of Zn in soil, viz, the soil solution concentration and the total Zn concentration. The DGT technique was used to measure fluxes and interfacial concentrations of Zn in three series of field-contaminated soils collected in transects toward galvanized electricity pylons and in 15 soils amended with ZnCl2 at six rates. The ratio of DGT-measured concentration to pore water concentration of Zn, R, varied between 0.02 and 1.52 (mean 0.29). This ratio decreased with decreasing distribution coefficient, Kd, of Zn in the soil, which is in agreement with the predictions of the DGT-induced fluxes in soils (DIFS) model. The R values predicted with the DIFS model were generally larger than the observed values in the ZnCl2-amended soils at the higher Zn rates. A modification of the DIFS model indicated that saturation of the resin gel was approached in these soils, despite the short deployment times used (2 h). The saturation of the resin with Zn did not occur in the control soils (no Zn salt added) or the field-contaminated soils. Pore water concentration of Zn in these soils was predicted from the DGT-measured concentration and the total Zn content. Predicted values and observations were generally in good agreement. The pore water concentration was more than 5 times underpredicted for the most acid soil (pH = 3) and for six other soils, for which the underprediction was attributed to the presence of colloidal Zn in the soil solution.

  1. Development of gradient-corrected exchange-correlation functionals in the density functional theory; Developpement de fonctionnelles corrigees du gradient en theorie de la fonctionnelle de la densite

    Energy Technology Data Exchange (ETDEWEB)

    Lembarki, A.

    1994-12-01

    In this work, we have developed some gradient-corrected exchange-correlation functionals. This study is in keeping with the density functional theory (DFT) formalism. In the first part of this memory, a description of Hartree-Fock (HF), post-HF and density functional theories is given. The second part is devoted the study the different approximations of DFT exchange-correlation functionals which have been proposed in the last years. In particular, we have underlined the approximations used for the construction of these functionals. The third part of this memory consists in the development of new gradient-corrected functionals. In this study, we have established a new relation between exchange energy, correlation energy and kinetic energy. We have deduced two new possible forms of exchange or correlation functionals, respectively. In the fourth part, we have studied the exchange potential, for which the actual formulation does not satisfy some theoretical conditions, such as the asymptotic behavior -1/r. Our contribution lies in the development of an exchange potential with a correct asymptotic -1/r behavior for large values of r. In this chapter, we have proposed a model which permits the obtention of the exchange energy from the exchange potential, using the virial theorem. The fifth part of this memory is devoted the application of these different functionals to simple systems (H{sub 2}O, CO, N{sub 2}O, H{sub 3}{sup +} and H{sub 5}{sup +}) in order to characterize the performance of DFT calculations in regards to those obtained with post-HF methods. (author). 215 refs., 8 figs., 28 tabs.

  2. A modified gradient approach for the growth of low-density InAs quantum dot molecules by molecular beam epitaxy

    Science.gov (United States)

    Sharma, Nandlal; Reuter, Dirk

    2017-11-01

    Two vertically stacked quantum dots that are electronically coupled, so called quantum dot molecules, are of great interest for the realization of solid state building blocks for quantum communication networks. We present a modified gradient approach to realize InAs quantum dot molecules with a low areal density so that single quantum dot molecules can be optically addressed. The individual quantum dot layers were prepared by solid source molecular beam epitaxy depositing InAs on GaAs(100). The bottom quantum dot layer has been grown without substrate rotation resulting in an In-gradient across the surface, which translated into a density gradient with low quantum dot density in a certain region of the wafer. For the top quantum dot layer, separated from the bottom quantum dot layer by a 6 nm thick GaAs barrier, various InAs amounts were deposited without an In-gradient. In spite of the absence of an In-gradient, a pronounced density gradient is observed for the top quantum dots. Even for an In-amount slightly below the critical thickness for a single dot layer, a density gradient in the top quantum dot layer, which seems to reproduce the density gradient in the bottom layer, is observed. For more or less In, respectively, deviations from this behavior occur. We suggest that the obvious influence of the bottom quantum dot layer on the growth of the top quantum dots is due to the strain field induced by the buried dots.

  3. Crust-mantle density distribution in the eastern Qinghai-Tibet Plateau revealed by satellite-derived gravity gradients

    Science.gov (United States)

    LI, Honglei; Fang, Jian; Braitenberg, Carla; Wang, Xinsheng

    2015-04-01

    As the highest, largest and most active plateau on Earth, the Qinghai-Tibet Plateau has a complex crust-mantle structure, especially in its eastern part. In response to the subduction of the lithospheric mantle of the Indian plate, large-scale crustal motion occurs in this area. Despite the many previous studies, geodynamic processes at depth remain unclear. Knowledge of crust and upper mantle density distribution allows a better definition of the deeper geological structure and thus provides critically needed information for understanding of the underlying geodynamic processes. With an unprecedented precision of 1-2 mGal and a spatial resolution better than 100 km, GOCE (Gravity field and steady-state Ocean Circulation Explorer) mission products can be used to constrain the crust-mantle density distribution. Here we used GOCE gravitational gradients at an altitude of 10km after reducing the effects of terrain, sediment thickness variations, and Moho undulations to image the density structures of eastern Tibet up to 200 km depths. We inverted the residual satellite gravitational gradients using a least square approach. The initial density model for the inversion is based on seismic velocities from the tomography. The model is composed of rectangular blocks, having a uniform density, with widths of about 100 km and variable thickness and depths. The thickness of the rectangular cells changes from10 to 60km in accordance with the seismic model. Our results reveal some large-scale, structurally controlled density variations at depths. The lithospheric root defined by higher-density contrast features from southwest to northeast, with shallowing in the central part: base of lithosphere reaches a depth of180 km, less than 100km, and 200 km underneath the Lhasa, Songpan-Ganzi, and Ordos crustal blocks, respectively. However, these depth values only represent a first-order parameterization because they depend on model discretization inherited from the original seismic

  4. Qualitative Observations Concerning Packing Densities for Liquids, Solutions, and Random Assemblies of Spheres

    Science.gov (United States)

    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)

  5. Numerical Solutions of Singularly Perturbed Reaction Diffusion Equation with Sobolev Gradients

    Directory of Open Access Journals (Sweden)

    Nauman Raza

    2013-01-01

    Full Text Available Critical points related to the singular perturbed reaction diffusion models are calculated using weighted Sobolev gradient method in finite element setting. Performance of different Sobolev gradients has been discussed for varying diffusion coefficient values. A comparison is shown between the weighted and unweighted Sobolev gradients in two and three dimensions. The superiority of the method is also demonstrated by showing comparison with Newton's method.

  6. Effects of density gradients and fluctuations at the plasma edge on ECEI measurements at ASDEX Upgrade

    NARCIS (Netherlands)

    Vanovac, B.; Wolfrum, E.; Denk, S. S.; Mink, F.; Laggner, F. M.; Birkenmeier, G.; Willensdorfer, M.; Viezzer, E.; Hoelzl, M.; Freethy, S. J.; Dunne, M. G.; Lessig, A.; Luhmann, N. C.; ASDEX Upgrade team,; EUROfusion MST1 Team,

    2018-01-01

    Electron cyclotron emission imaging (ECEI) provides measurements of electron temperature (T-e) and its fluctuations (delta T-e). However, when measuring at the plasma edge, in the steep gradient region, radiation transport effects must be taken into account. It is shown that due to these effects,

  7. Density gradient localization of vanadate- and NO-3-sensitive ATPase from sterile cultures of Spirodela polyrrhiza (L. Schleiden

    Directory of Open Access Journals (Sweden)

    Józef Buczek

    2014-01-01

    Full Text Available The present work deals with the separation and some characteristics of ATPase activities bound with plant membanes prepared from sterile cultures of Spirodela polyrrhiza. The membrane-bound ATPases were separated on sucrose gradients and distinguished by membrane density and sensitivity to several inhibitors. The results showed that N0-3-sensitive ATPase activity associated with the tonoplast was localized at a sucrose density between 1.095-1.117 g•cm-3. The vanadate-sensitive ATPase activity bound with the plasma membrane showed a density between 1.127-1.151 g•cm-3. Both ATPases were insensitive to azide and oligomycin and were separable from markers for mitochondria.

  8. Forward calculation of gravity and its gradient using polyhedral representation of density interfaces: an application of spherical or ellipsoidal topographic gravity effect

    Science.gov (United States)

    Zhang, Yi; Chen, Chao

    2018-02-01

    A density interface modeling method using polyhedral representation is proposed to construct 3-D models of spherical or ellipsoidal interfaces such as the terrain surface of the Earth and applied to forward calculating gravity effect of topography and bathymetry for regional or global applications. The method utilizes triangular facets to fit undulation of the target interface. The model maintains almost equal accuracy and resolution at different locations of the globe. Meanwhile, the exterior gravitational field of the model, including its gravity and gravity gradients, is obtained simultaneously using analytic solutions. Additionally, considering the effect of distant relief, an adaptive computation process is introduced to reduce the computational burden. Then features and errors of the method are analyzed. Subsequently, the method is applied to an area for the ellipsoidal Bouguer shell correction as an example and the result is compared to existing methods, which shows our method provides high accuracy and great computational efficiency. Suggestions for further developments and conclusions are drawn at last.

  9. Scanning tunnelling microscope imaging of nanoscale electron density gradients on the surface of GaAs

    International Nuclear Information System (INIS)

    Hamilton, B; Jacobs, J; Missous, M

    2003-01-01

    This paper is concerned with the scanning tunnelling microscope tunnelling conditions needed to produce constant current images dominated either by surface topology or by electronic effects. A model experimental structure was produced by cleaving a GaAs multiδ-doped layer in UHV and so projecting a spatially varying electron gas density onto the (110) surface. This cross sectional electron density varies on a nanometre scale in the [100] growth direction. The electronic structure and tunnelling properties of this system were modelled, and the tunnelling conditions favouring sensitivity to the surface electron gas density determined

  10. Measurement of the temperature of density maximum of water solutions using a convective flow technique

    OpenAIRE

    Cawley, M.F.; McGlynn, D.; Mooney, P.A.

    2006-01-01

    A technique is described which yields an accurate measurement of the temperature of density maximum of fluids which exhibit such anomalous behaviour. The method relies on the detection of changes in convective flow in a rectangular cavity containing the test fluid.The normal single-cell convection which occurs in the presence of a horizontal temperature gradient changes to a double cell configuration in the vicinity of the density maximum, and this transition manifests itself in changes in th...

  11. Reservoir longitudinal gradient promotes ordered losses on diversity and density of Ephemeroptera community

    Directory of Open Access Journals (Sweden)

    S. M. Melo

    2018-02-01

    Full Text Available Abstract Reservoir operations alter, eliminate or restrain the natural hydrologic cycles. Biotic community has become subject to these non-cyclic events, responding by reducing the species diversity. Ephemeroptera species present distinct responses to environmental deterioration such that poses this assemblage between the most useful groups in biomonitoring programs. We hypothesized an alteration in beta diversity at the longitudinal species gradient, which will be influenced mainly by species losses between zones. Changes in temporal beta diversity is also expected, but the main drivers of such alterations will be the species turnover between the sampling period. Ephemeroptera community was monitored in nine sampling points from Itaipu Reservoir, where were installed three sets of substrates composed by a float and 2 wooden substrates. We took biological samples in triplicates monthly, from June-01 to August-02. Our initial hypothesis was partially supported and with significant variations only for spatial approach, between the Reservoir zones. The generated ordering from Non-Metric Dimensional Scale – NMDS - corroborated with spatial analyzes, with the formation of two groups along the gradient zonation of the reservoir. The temporal ordination showed no clear pattern. As expected, the contribution to beta diversity was different for our two approaches, such that the loss of species was more important along the spatial gradient and despite of no significant result, the species replacement was more important among months. The spatial results lead us to infer that differences in limnological characteristics between zones are important for determining differences in Ephemeroptera composition and can reflect the dependency degree of the species in relation to the lentic and sometimes-lotic conditions, mainly in the riverine zone of reservoirs. On the other hand, the absence of a temporal pattern can be result of chaotic variations in the

  12. Numerical Simulation of Solid Combustion with a Robust Conjugate-Gradient Solution for Pressure

    National Research Council Canada - National Science Library

    Wang, Yi-Zun

    2002-01-01

    A Bi-Conjugate Gradient method (Bi-CGSTAB) is studied and tested for solid combustion in which the gas and solid phases are coupled by a set of conditions describing mass, momentum and heat transport across the interface...

  13. Fast-electron self-collimation in a plasma density gradient

    International Nuclear Information System (INIS)

    Yang, X. H.; Borghesi, M.; Robinson, A. P. L.

    2012-01-01

    A theoretical and numerical study of fast electron transport in solid and compressed fast ignition relevant targets is presented. The principal aim of the study is to assess how localized increases in the target density (e.g., by engineering of the density profile) can enhance magnetic field generation and thus pinching of the fast electron beam through reducing the rate of temperature rise. The extent to which this might benefit fast ignition is discussed.

  14. Solvent density mode instability in non-polar solutions

    Indian Academy of Sciences (India)

    and excited states of the solute with the compressibility and solvent structure is found to have .... The organization of the rest of the paper is as follows. ...... For the ground state term, as C2 is nearly flat at qσ = q0 = 2π, we can safely ignore.

  15. Threatened species richness along a Himalayan elevational gradient: quantifying the influences of human population density, range size, and geometric constraints.

    Science.gov (United States)

    Paudel, Prakash Kumar; Sipos, Jan; Brodie, Jedediah F

    2018-02-07

    A crucial step in conserving biodiversity is to identify the distributions of threatened species and the factors associated with species threat status. In the biodiversity hotspot of the Himalaya, very little is known about which locations harbour the highest diversity of threatened species and whether diversity of such species is related to area, mid-domain effects (MDE), range size, or human density. In this study, we assessed the drivers of variation in richness of threatened birds, mammals, reptiles, actinopterygii, and amphibians along an elevational gradient in Nepal Himalaya. Although geometric constraints (MDE), species range size, and human population density were significantly related to threatened species richness, the interaction between range size and human population density was of greater importance. Threatened species richness was positively associated with human population density and negatively associated with range size. In areas with high richness of threatened species, species ranges tend to be small. The preponderance of species at risk of extinction at low elevations in the subtropical biodiversity hotspot could be due to the double impact of smaller range sizes and higher human density.

  16. Thermodynamic, energy efficiency, and power density analysis of reverse electrodialysis power generation with natural salinity gradients.

    Science.gov (United States)

    Yip, Ngai Yin; Vermaas, David A; Nijmeijer, Kitty; Elimelech, Menachem

    2014-05-06

    Reverse electrodialysis (RED) can harness the Gibbs free energy of mixing when fresh river water flows into the sea for sustainable power generation. In this study, we carry out a thermodynamic and energy efficiency analysis of RED power generation, and assess the membrane power density. First, we present a reversible thermodynamic model for RED and verify that the theoretical maximum extractable work in a reversible RED process is identical to the Gibbs free energy of mixing. Work extraction in an irreversible process with maximized power density using a constant-resistance load is then examined to assess the energy conversion efficiency and power density. With equal volumes of seawater and river water, energy conversion efficiency of ∼ 33-44% can be obtained in RED, while the rest is lost through dissipation in the internal resistance of the ion-exchange membrane stack. We show that imperfections in the selectivity of typical ion exchange membranes (namely, co-ion transport, osmosis, and electro-osmosis) can detrimentally lower efficiency by up to 26%, with co-ion leakage being the dominant effect. Further inspection of the power density profile during RED revealed inherent ineffectiveness toward the end of the process. By judicious early discontinuation of the controlled mixing process, the overall power density performance can be considerably enhanced by up to 7-fold, without significant compromise to the energy efficiency. Additionally, membrane resistance was found to be an important factor in determining the power densities attainable. Lastly, the performance of an RED stack was examined for different membrane conductivities and intermembrane distances simulating high performance membranes and stack design. By thoughtful selection of the operating parameters, an efficiency of ∼ 37% and an overall gross power density of 3.5 W/m(2) represent the maximum performance that can potentially be achieved in a seawater-river water RED system with low

  17. Numerical solution to a multi-dimensional linear inverse heat conduction problem by a splitting-based conjugate gradient method

    International Nuclear Information System (INIS)

    Dinh Nho Hao; Nguyen Trung Thanh; Sahli, Hichem

    2008-01-01

    In this paper we consider a multi-dimensional inverse heat conduction problem with time-dependent coefficients in a box, which is well-known to be severely ill-posed, by a variational method. The gradient of the functional to be minimized is obtained by aids of an adjoint problem and the conjugate gradient method with a stopping rule is then applied to this ill-posed optimization problem. To enhance the stability and the accuracy of the numerical solution to the problem we apply this scheme to the discretized inverse problem rather than to the continuous one. The difficulties with large dimensions of discretized problems are overcome by a splitting method which only requires the solution of easy-to-solve one-dimensional problems. The numerical results provided by our method are very good and the techniques seem to be very promising.

  18. Relaxation of a steep density gradient in a simple fluid: Comparison between atomistic and continuum modeling

    International Nuclear Information System (INIS)

    Pourali, Meisam; Maghari, Ali; Meloni, Simone; Magaletti, Francesco; Casciola, Carlo Massimo; Ciccotti, Giovanni

    2014-01-01

    We compare dynamical nonequilibrium molecular dynamics and continuum simulations of the dynamics of relaxation of a fluid system characterized by a non-uniform density profile. Results match quite well as long as the lengthscale of density nonuniformities are greater than the molecular scale (∼10 times the molecular size). In presence of molecular scale features some of the continuum fields (e.g., density and momentum) are in good agreement with atomistic counterparts, but are smoother. On the contrary, other fields, such as the temperature field, present very large difference with respect to reference (atomistic) ones. This is due to the limited accuracy of some of the empirical relations used in continuum models, the equation of state of the fluid in the present example

  19. Evaluation of the impact of density gradient centrifugation on fetal cell loss during enrichment from maternal peripheral blood.

    Science.gov (United States)

    Emad, Ahmed; Drouin, Régen

    2014-09-01

    Physical separation by density gradient centrifugation (DGC) is usually used as an initial step of multistep enrichment protocols for purification of fetal cells (FCs) from maternal blood. Many protocols were designed but no single approach was efficient enough to provide noninvasive prenatal diagnosis. Procedures and methods were difficult to compare because of the nonuniformity of protocols among different groups. Recovery of FCs is jeopardized by their loss during the process of enrichment. Any loss of FCs must be minimized because of the multiplicative effect of each step of the enrichment process. The main objective of this study was to evaluate FC loss caused by DGC. Fetal cells were quantified in peripheral blood samples obtained from both euploid and aneuploid pregnancies before and after enrichment by buoyant DGC using Histopaque 1.119 g/mL. Density gradient centrifugation results in major loss of 60% to 80% of rare FCs, which may further complicate subsequent enrichment procedures. Eliminating aggressive manipulations can significantly minimize FC loss. Data obtained raise questions about the appropriateness of the DGC step for the enrichment of rare FCs and argues for the use of the alternative nonaggressive version of the procedure presented here or prioritizing other methods of enrichments. © 2014 John Wiley & Sons, Ltd.

  20. Damping-Growth Transition for Ion-Acoustic Waves in a Density Gradient

    DEFF Research Database (Denmark)

    D'Angelo, N.; Michelsen, Poul; Pécseli, Hans

    1975-01-01

    A damping-growth transition for ion-acoustic waves propagating in a nonuniform plasma (e-folding length for the density ln) is observed at a wavelength λ∼2πln. This result supports calculations performed in connection with the problem of heating of the solar corona by ion-acoustic waves generated...

  1. Thermodynamic, energy efficiency, and power density analysis of reverse electrodialysis power generation with natural salinity gradients

    NARCIS (Netherlands)

    Yip, N.Y.; Vermaas, D.A.; Nijmeijer, K.; Elimelech, M.

    2014-01-01

    Reverse electrodialysis (RED) can harness the Gibbs free energy of mixing when fresh river water flows into the sea for sustainable power generation. In this study, we carry out a thermodynamic and energy efficiency analysis of RED power generation, and assess the membrane power density. First, we

  2. A totally automatic density meter for radioactive solutions

    International Nuclear Information System (INIS)

    Hochel, R.C.

    1987-02-01

    A totally automatic density meter for measuring the density of radioactive liquid (plutonium nitrate) samples was developed and built for use at the Savannah River Plant. The measurement cell (vibrating U-tube) and other wetted parts are glovebox-contained and are remoted from the electronics and control instrumentation. The only operator actions required are insertion of a sample vial into the system, starting the analysis, and removing the vial about 90 seconds later. The sample measurement takes about 3 to 4 minutes and uses 10 mL of sample; another 5 to 6 minutes is required for a water/air measurement-control check, which leaves the system ready for the next sample. No water bath is needed because a computer algorithm is applied to the measurement to correct it to a standard reference temperature. The system is normally operated under computer control, but a programmable logic controller is available for backup. The system may also be operated manually by means of a switchpanel. 5 refs., 3 figs

  3. Diffusive gradient in thin FILMS (DGT) compared with soil solution and labile uranium fraction for predicting uranium bioavailability to ryegrass.

    Science.gov (United States)

    Duquène, L; Vandenhove, H; Tack, F; Van Hees, M; Wannijn, J

    2010-02-01

    The usefulness of uranium concentration in soil solution or recovered by selective extraction as unequivocal bioavailability indices for uranium uptake by plants is still unclear. The aim of the present study was to test if the uranium concentration measured by the diffusive gradient in thin films (DGT) technique is a relevant substitute for plant uranium availability in comparison to uranium concentration in the soil solution or uranium recovered by ammonium acetate. Ryegrass (Lolium perenne L. var. Melvina) is grown in greenhouse on a range of uranium spiked soils. The DGT-recovered uranium concentration (C(DGT)) was correlated with uranium concentration in the soil solution or with uranium recovered by ammonium acetate extraction. Plant uptake was better predicted by the summed soil solution concentrations of UO(2)(2+), uranyl carbonate complexes and UO(2)PO(4)(-). The DGT technique did not provide significant advantages over conventional methods to predict uranium uptake by plants. Copyright 2009 Elsevier Ltd. All rights reserved.

  4. Diffusive gradient in thin FILMS (DGT) compared with soil solution and labile uranium fraction for predicting uranium bioavailability to ryegrass

    Energy Technology Data Exchange (ETDEWEB)

    Duquene, L. [SCK-CEN, Biosphere Impact Studies, Boeretang 200, B-2400 Mol (Belgium); Vandenhove, H., E-mail: hvandenh@sckcen.b [SCK-CEN, Biosphere Impact Studies, Boeretang 200, B-2400 Mol (Belgium); Tack, F. [Ghent University, Laboratory for Analytical Chemistry and Applied Ecochemistry, Coupure Links 653, B-9000 Gent (Belgium); Van Hees, M.; Wannijn, J. [SCK-CEN, Biosphere Impact Studies, Boeretang 200, B-2400 Mol (Belgium)

    2010-02-15

    The usefulness of uranium concentration in soil solution or recovered by selective extraction as unequivocal bioavailability indices for uranium uptake by plants is still unclear. The aim of the present study was to test if the uranium concentration measured by the diffusive gradient in thin films (DGT) technique is a relevant substitute for plant uranium availability in comparison to uranium concentration in the soil solution or uranium recovered by ammonium acetate. Ryegrass (Lolium perenne L. var. Melvina) is grown in greenhouse on a range of uranium spiked soils. The DGT-recovered uranium concentration (C{sub DGT}) was correlated with uranium concentration in the soil solution or with uranium recovered by ammonium acetate extraction. Plant uptake was better predicted by the summed soil solution concentrations of UO{sub 2}{sup 2+}, uranyl carbonate complexes and UO{sub 2}PO{sub 4}{sup -}. The DGT technique did not provide significant advantages over conventional methods to predict uranium uptake by plants.

  5. Diffusive gradient in thin FILMS (DGT) compared with soil solution and labile uranium fraction for predicting uranium bioavailability to ryegrass

    International Nuclear Information System (INIS)

    Duquene, L.; Vandenhove, H.; Tack, F.; Van Hees, M.; Wannijn, J.

    2010-01-01

    The usefulness of uranium concentration in soil solution or recovered by selective extraction as unequivocal bioavailability indices for uranium uptake by plants is still unclear. The aim of the present study was to test if the uranium concentration measured by the diffusive gradient in thin films (DGT) technique is a relevant substitute for plant uranium availability in comparison to uranium concentration in the soil solution or uranium recovered by ammonium acetate. Ryegrass (Lolium perenne L. var. Melvina) is grown in greenhouse on a range of uranium spiked soils. The DGT-recovered uranium concentration (C DGT ) was correlated with uranium concentration in the soil solution or with uranium recovered by ammonium acetate extraction. Plant uptake was better predicted by the summed soil solution concentrations of UO 2 2+ , uranyl carbonate complexes and UO 2 PO 4 - . The DGT technique did not provide significant advantages over conventional methods to predict uranium uptake by plants.

  6. Numerical Studies of Electron Acceleration Behind Self-Modulating Proton Beam in Plasma with a Density Gradient

    CERN Document Server

    Petrenko, A.; Sosedkin, A.

    2016-01-01

    Presently available high-energy proton beams in circular accelerators carry enough momentum to accelerate high-intensity electron and positron beams to the TeV energy scale over several hundred meters of the plasma with a density of about 1e15 1/cm^3. However, the plasma wavelength at this density is 100-1000 times shorter than the typical longitudinal size of the high-energy proton beam. Therefore the self-modulation instability (SMI) of a long (~10 cm) proton beam in the plasma should be used to create the train of micro-bunches which would then drive the plasma wake resonantly. Changing the plasma density profile offers a simple way to control the development of the SMI and the acceleration of particles during this process. We present simulations of the possible use of a plasma density gradient as a way to control the acceleration of the electron beam during the development of the SMI of a 400 GeV proton beam in a 10 m long plasma. This work is done in the context of the AWAKE project --- the proof-of-prin...

  7. Species-specific gradients of juvenile fish density and size in pelagic areas of temperate reservoirs

    Czech Academy of Sciences Publication Activity Database

    Jůza, Tomáš; Ricard, Daniel; Blabolil, Petr; Čech, Martin; Draštík, Vladislav; Frouzová, Jaroslava; Muška, Milan; Peterka, Jiří; Prchalová, Marie; Říha, Milan; Sajdlová, Zuzana; Šmejkal, Marek; Tušer, Michal; Vašek, Mojmír; Vejřík, Lukáš; Kubečka, Jan

    2015-01-01

    Roč. 762, č. 1 (2015), s. 169-181 ISSN 0018-8158 R&D Projects: GA MŠk(CZ) EE2.3.20.0204; GA MŠk(CZ) EE2.3.30.0032; GA MŠk(CZ) 7F14316 Institutional support: RVO:60077344 Keywords : trawling * juvenile density * horizontal distribution * vertical distribution * tributary area Subject RIV: EH - Ecology, Behaviour Impact factor: 2.051, year: 2015

  8. Autoradiography and density gradient separation of technetium-99m-Exametazime (HMPAO) labelled leucocytes reveals selectivity for eosinophils

    Energy Technology Data Exchange (ETDEWEB)

    Puncher, M.R.B. [Biological Lab., Univ. of Kent, Canterbury (United Kingdom); Blower, P.J. [Nuclear Medicine Dept., Kent and Canterbury Hospital (United Kingdom)

    1994-11-01

    Technetium-99m-Exametazime (HMPAO) is widely used for radiolabelling leucocytes for localization of infection. The subcellular distribution of radionuclide in the labelled cells and the distribution of radioactivity among the leucocyte population are incompletely understood. Frozen section autoradiography was used to determine quantitatively the distribution of {sup 99m}Tc in leucocytes labelled with {sup 99m}Tc-Exametazime. Sections of rapidly frozen suspensions of labelled leucocytes in plasma were autoradiographed on Ilford K2 emulsion and stained with haematoxylin and eosin. Neutrophils, eosinophils and mononuclear cells were separated by Percoll density gradient centrifugation. Cell nuclei were isolated by a rapid cell-breakage and fractionation method. In a typical experiment mean grain densities [grains/100 {mu}m{sup 2} (ESD)] over cells were: eosinophils 31.2 (18.4), neutrophils 3.5 (3.5), mononuclear cells 4.2 (5.1). Mean grain numbers per cell (ESD) were: eosinophils 13 (6.8), neutrophils 1.3 (1.3), mononuclear cells 1.1 (1.3). These findings were confirmed by separation of labelled leucocytes on discontinuous density gradients. In four separation experiments, the mean activity-per-cell ratio for eosinophils to neutrophils was 10.1 (4.8):1, and for eosinophils to mononuclear cells, 14.1 (6.7):1. The subcellular distribution of the label was investigated using image analysis of autoradiographs and cell fractionation. This revealed no selectivity for nuclear or extranuclear compartments. It may be concluded that {sup 99m}Tc-Exametazime has strong selectivity for eosinophils over other leucocytes but no selectivity for nuclear/cytoplasmic compartments. (orig.)

  9. Weak turbulence theory of ion temperature gradient modes for inverted density plasmas

    International Nuclear Information System (INIS)

    Hahm, T.S.; Tang, W.M.

    1989-09-01

    Typical profiles measured in H-mode (''high confinement'') discharges from tokamaks such as JET and DIII-D suggest that the ion temperature gradient instability threshold parameter η i (≡dlnT i /dlnn i ) could be negative in many cases. Previous linear theoretical calculations have established the onset conditions for these negative η i -modes and the fact that their growth rate is much smaller than their real frequency over a wide range of negative η i values. This has motivated the present nonlinear weak turbulence analysis to assess the relevance of such instabilities for confinement in H-mode plasmas. The nonlinear eigenmode equation indicates that the 3-wave coupling to shorter wavelength modes is the dominant nonlinear saturation mechanism. It is found that both the saturation level for these fluctuations and the magnitude of the associated ion thermal diffusivity are considerably smaller than the strong turbulence mixing length type estimates for the more conventional positive-η i -instabilities. 19 refs., 3 figs

  10. Ion temperature gradient driven transport in a density modification experiment on the TFTR tokamak

    International Nuclear Information System (INIS)

    Horton, W.; Lindberg, D.; Kim, J.Y.; Dong, J.Q.; Hammett, G.W.; Scott, S.D.; Zarnstorff, M.C.; Hamaguchi, S.

    1991-07-01

    TFTR profiles from a supershot density-modification experiment are analyzed for their local and ballooning stability to toroidal η i -modes in order to understand the initially puzzling results showing no increase in X i when a pellet is used to produce an abrupt and large increase in the η i parameter. The local stability analysis assumes that k parallel = 1/qR and ignores the effects of shear, but makes no assumption on the magnitude of k parallel v ti /ω. The ballooning stability analysis determines a self-consistent linear spectrum of k parallel's including the effect of shear and toroidicity, but it expands in k parallel v ti /ω ≤ 1, which is a marginal assumption for this experiment. Nevertheless, the two approaches agree well and show that the mixing length estimate of the transport rate does not change appreciably during the density-modification and has a value close to or less than the observed X i , in contrast to most previous theories which predicted X i 's which were over an order-of-magnitude too large. However, we are still unable to explain the observed increase X i (r) with minor radius by adding the effects of the finite beta drift - MHD mode coupling, the slab-like mode, or the trapped electron response. The experimental tracking 0.2 e /X i i and trapped-electron driving mechanisms are operating. 4 refs., 5 figs., 5 tabs

  11. Solution to Two-Dimensional Steady Inverse Heat Transfer Problems with Interior Heat Source Based on the Conjugate Gradient Method

    Directory of Open Access Journals (Sweden)

    Shoubin Wang

    2017-01-01

    Full Text Available The compound variable inverse problem which comprises boundary temperature distribution and surface convective heat conduction coefficient of two-dimensional steady heat transfer system with inner heat source is studied in this paper applying the conjugate gradient method. The introduction of complex variable to solve the gradient matrix of the objective function obtains more precise inversion results. This paper applies boundary element method to solve the temperature calculation of discrete points in forward problems. The factors of measuring error and the number of measuring points zero error which impact the measurement result are discussed and compared with L-MM method in inverse problems. Instance calculation and analysis prove that the method applied in this paper still has good effectiveness and accuracy even if measurement error exists and the boundary measurement points’ number is reduced. The comparison indicates that the influence of error on the inversion solution can be minimized effectively using this method.

  12. Measuring the density and viscosity of H2S-loaded aqueous methyldiethanolamine solution

    International Nuclear Information System (INIS)

    Shokouhi, Mohammad; Ahmadi, Reza

    2016-01-01

    Highlights: • Measurement solubility of H 2 S in 46.78 mass% MDEA aqueous solutions. • Measurement density of H 2 S loaded of MDEA aqueous solution. • Measurement viscosity of H 2 S loaded of MDEA aqueous solution. • Correlation of the density and viscosity of H 2 S loaded of MDEA aqueous solution using modified setchenow equation. - Abstract: The density and viscosity of H 2 S-loaded aqueous 46.78 mass% methyldiethanolamine solution were experimentally measured accompanied with the solubility of H 2 S at temperatures (313.15, 328.15 and 343.15) K, pressures from vapor pressure of fresh solution up to 1.0 MPa and loadings up to 1.00 mol of H 2 S per 1 mol of amine. All experimental trials have been carried out using the new setup developed in our laboratory. It was observed that both density and viscosity of mixtures decrease by increasing temperature and density increase by increasing acid gas solubility (loading) by about 4.7%, whereas viscosity has a complicated behavior with H 2 S solubility. Viscosity decreases by increasing acid gas solubility (loading) at 313.15 K by about 20.6% and at 328.15 K by about 15.0%, but it is comparable at 343.15 K in terms of H 2 S solubility. Finally, the experimental density and viscosity data correlated using Modified Setchenow equation.

  13. Multi-Dimensional Quantum Effect Simulation Using a Density-Gradient Model and Script-Level Programming Techniques

    Science.gov (United States)

    Rafferty, Connor S.; Biegel, Bryan A.; Yu, Zhi-Ping; Ancona, Mario G.; Bude, J.; Dutton, Robert W.; Saini, Subhash (Technical Monitor)

    1998-01-01

    A density-gradient (DG) model is used to calculate quantum-mechanical corrections to classical carrier transport in MOS (Metal Oxide Semiconductor) inversion/accumulation layers. The model is compared to measured data and to a fully self-consistent coupled Schrodinger and Poisson equation (SCSP) solver. Good agreement is demonstrated for MOS capacitors with gate oxide as thin as 21 A. It is then applied to study carrier distribution in ultra short MOSFETs (Metal Oxide Semiconductor Field Effect Transistor) with surface roughness. This work represents the first implementation of the DG formulation on multidimensional unstructured meshes. It was enabled by a powerful scripting approach which provides an easy-to-use and flexible framework for solving the fourth-order PDEs (Partial Differential Equation) of the DG model.

  14. Mapping axonal density and average diameter using non-monotonic time-dependent gradient-echo MRI

    DEFF Research Database (Denmark)

    Nunes, Daniel; Cruz, Tomás L; Jespersen, Sune N

    2017-01-01

    available in the clinic, or extremely long acquisition schemes to extract information from parameter-intensive models. In this study, we suggest that simple and time-efficient multi-gradient-echo (MGE) MRI can be used to extract the axon density from susceptibility-driven non-monotonic decay in the time...... the quantitative results are compared against ground-truth histology, they seem to reflect the axonal fraction (though with a bias, as evident from Bland-Altman analysis). As well, the extra-axonal fraction can be estimated. The results suggest that our model is oversimplified, yet at the same time evidencing......-dependent signal. We show, both theoretically and with simulations, that a non-monotonic signal decay will occur for multi-compartmental microstructures – such as axons and extra-axonal spaces, which we here used in a simple model for the microstructure – and that, for axons parallel to the main magnetic field...

  15. Impact of Ficoll density gradient centrifugation on major and trace element concentrations in erythrocytes and blood plasma.

    Science.gov (United States)

    Lu, Ying; Ahmed, Sultan; Harari, Florencia; Vahter, Marie

    2015-01-01

    Ficoll density gradient centrifugation is widely used to separate cellular components of human blood. We evaluated the suitability to use erythrocytes and blood plasma obtained from Ficoll centrifugation for assessment of elemental concentrations. We determined 22 elements (from Li to U) in erythrocytes and blood plasma separated by direct or Ficoll density gradient centrifugation, using inductively coupled plasma mass spectrometry. Compared with erythrocytes and blood plasma separated by direct centrifugation, those separated by Ficoll had highly elevated iodine and Ba concentration, due to the contamination from the Ficoll-Paque medium, and about twice as high concentrations of Sr and Mo in erythrocytes. On the other hand, the concentrations of Ca in erythrocytes and plasma were markedly reduced by the Ficoll separation, to some extent also Li, Co, Cu, and U. The reduced concentrations were probably due to EDTA, a chelator present in the Ficoll medium. Arsenic concentrations seemed to be lowered by Ficoll, probably in a species-specific manner. The concentrations of Mg, P, S, K, Fe, Zn, Se, Rb, and Cs were not affected in the erythrocytes, but decreased in plasma. Concentrations of Mn, Cd, and Pb were not affected in erythrocytes, but in plasma affected by EDTA and/or pre-analytical contamination. Ficoll separation changed the concentrations of Li, Ca, Co, Cu, As, Mo, I, Ba, and U in erythrocytes and blood plasma, Sr in erythrocytes, and Mg, P, S, K, Fe, Zn, Se, Rb and Cs in blood plasma, to an extent that will invalidate evaluation of deficiencies or excess intakes. Copyright © 2014 Elsevier GmbH. All rights reserved.

  16. Particle and solute migration in porous media. Modeling of simultaneous transport of clay particles and radionuclides in a salinity gradient

    International Nuclear Information System (INIS)

    Faure, M.H.

    1994-03-01

    Understanding the mechanisms which control the transient transport of particles and radionuclides in natural and artificial porous media is a key problem for the assessment of safety of radioactive waste disposals. An experimental study has been performed to characterize the clayey particle mobility in porous media: a laboratory- made column, packed with an unconsolidated sand bentonite (5% weight) sample, is flushed with a salt solution. An original method of salinity gradient allowed us to show and to quantify some typical behaviours of this system: threshold effects in the peptization of particles, creation of preferential pathways, formation of immobile water zones induce solute-transfer limitation. The mathematical modelling accounts for a phenomenological law, where the distribution of particles between the stagnant water zone and the porous medium is a function of sodium chloride concentration. This distribution function is associated with a radionuclide adsorption model, and is included in a convective dispersive transport model with stagnant water zones. It allowed us to simulate the particle and solute transport when the salt environment is modified. The complete model has been validated with experiments involving cesium, calcium and neptunium in a sodium chloride gradient. (author). refs., figs., tabs

  17. Thermocapillary migration of liquid droplets in a temperature gradient in a density matched system

    Science.gov (United States)

    Rashidnia, N.; Balasubramaniam, R.

    1991-01-01

    An experimental investigation of thermocapillary flow in droplets of a vegetable oil (partially hydrogenated soybean oil) immersed in silicone oil was conducted in a test cell with a heated top wall and a cooled bottom wall. The liquids are nearly immiscible and have equal densities at a temperature below the room temperature, thus providing a simulation of low-gravity conditions by reducing the buoyancy forces. The interfacial tension between the two oils was measured in the temperature range 20 to 50 C using a capillary tube and (d sigma)/(d T) was determined to be negative. Droplets ranging in sizes from 3 mm to 1 cm diameter were injected into the silicone oil. The vertical temperature profile in the bulk liquid (silicone oil) produces temperature variations along the interface which induce variations in the interfacial tension. The flow inside the droplet driven by the resulting interfacial shear stresses was observed using a laser light-sheet flow visualization technique. The flow direction is consistent with the sign of (d sigma)/(d T). The observed maximum surface velocities are compared to the theoretical predictions of Young et al. (1959).

  18. Sensitivity of the solution of the Elder problem to density, velocity and numerical perturbations

    Science.gov (United States)

    Park, Chan-Hee; Aral, Mustafa M.

    2007-06-01

    In this paper the Elder problem is studied with the purpose of evaluating the inherent instabilities associated with the numerical solution of this problem. Our focus is first on the question of the existence of a unique numerical solution for this problem, and second on the grid density and fluid density requirements necessary for a unique numerical solution. In particular we have investigated the instability issues associated with the numerical solution of the Elder problem from the following perspectives: (i) physical instability issues associated with density differences; (ii) sensitivity of the numerical solution to idealization irregularities; and, (iii) the importance of a precise velocity field calculation and the association of this process with the grid density levels that is necessary to solve the Elder problem accurately. In the study discussed here we have used a finite element Galerkin model we have developed for solving density-dependent flow and transport problems, which will be identified as TechFlow. In our study, the numerical results of Frolkovič and de Schepper [Frolkovič, P. and H. de Schepper, 2001. Numerical modeling of convection dominated transport coupled with density-driven flow in porous media, Adv. Water Resour., 24, 63-72.] were replicated using the grid density employed in their work. We were also successful in duplicating the same result with a less dense grid but with more computational effort based on a global velocity estimation process we have adopted. Our results indicate that the global velocity estimation approach recommended by Yeh [Yeh, G.-T., 1981. On the computation of Darcian velocity and mass balance in finite element modelling of groundwater flow, Water Resour. Res., 17(5), 1529-1534.] allows the use of less dense grids while obtaining the same accuracy that can be achieved with denser grids. We have also observed that the regularity of the elements in the discretization of the solution domain does make a difference

  19. Anomalous concentration gradient in NaI solutions inadvertently frozen in transit

    International Nuclear Information System (INIS)

    Billinghurst, M.W.; Abrams, D.N.; Coutts, A.D.

    1990-01-01

    Therapeutic doses of iodine-131 ( 131 I) are frequently dispensed volumetrically from a stock vial containing a solution of sodium iodide. During the winter months the authors have observed that initial aliquots do not always have the same radioactive concentration as that calculated for the bulk solution. In order to evaluate the cause and extent of this problem, they prepared a stock solution of low radioactive concentration sodium iodide with the same concentration of sodium thiosulfate and pH as that in the stock therapeutic iodine vial. Aliquots of this solution were transferred to plastic tubes and were stored at various temperatures. These results clearly show that when there is a risk of freezing during transportation of therapeutic solutions of sodium iodide it is essential to physically mix the liquid once thawing is complete if therapeutic doses are to be dispensed accurately on a volume basis

  20. Costs of coexistence along a gradient of competitor densities: an experiment with arvicoline rodents.

    Science.gov (United States)

    Eccard, Jana A; Ylönen, Hannu

    2007-01-01

    1. Costs of coexistence for species with indirect resource competition usually increase monotonically with competitor numbers. Very little is known though about the shape of the cost function for species with direct interference competition. 2. Here we report the results of an experiment with two vole species in artificial coexistence in large enclosures, where density of the dominant competitor species (Microtus agrestis) was manipulated. Experimental populations of the subordinate vole species (Clethrionomys glareolus) were composed of same aged individuals to study distribution of costs of coexistence with a dominant species within an age-cohort. 3. Survival and space use decreased gradually with increasing field vole numbers. Thus, responses to interference competition in our system appeared to be similar as expected from resource competition. The total number of breeders was stable. Reproductive characteristics such as the timing of breeding, and the litter size were not affected. In the single species enclosures a proportion of surviving individuals were not able to establish a breeding territory against stronger conspecifics. Under competition with heterospecifics such nonbreeders suffered high mortality, whereas the breeders survived. 4. Combined interference of dominant conspecifics and heterospecifics probably increased the frequency of aggressive interactions, social stress and mortality for the weaker individuals within a homogeneous age cohort of the subordinate competitor population. 5. Our results suggest, that in open systems where bank voles are outcompeted over the breeding season by faster reproducing field voles, animals able to establish a territory may be able to withstand competitor pressure, while nonbreeding bank vole individuals are forced to emigrate to suboptimal forest habitats.

  1. Forest biomass density across large climate gradients in northern South America is related to water availability but not with temperature.

    Science.gov (United States)

    Álvarez-Dávila, Esteban; Cayuela, Luis; González-Caro, Sebastián; Aldana, Ana M; Stevenson, Pablo R; Phillips, Oliver; Cogollo, Álvaro; Peñuela, Maria C; von Hildebrand, Patricio; Jiménez, Eliana; Melo, Omar; Londoño-Vega, Ana Catalina; Mendoza, Irina; Velásquez, Oswaldo; Fernández, Fernando; Serna, Marcela; Velázquez-Rua, Cesar; Benítez, Doris; Rey-Benayas, José M

    2017-01-01

    Understanding and predicting the likely response of ecosystems to climate change are crucial challenges for ecology and for conservation biology. Nowhere is this challenge greater than in the tropics as these forests store more than half the total atmospheric carbon stock in their biomass. Biomass is determined by the balance between biomass inputs (i.e., growth) and outputs (mortality). We can expect therefore that conditions that favor high growth rates, such as abundant water supply, warmth, and nutrient-rich soils will tend to correlate with high biomass stocks. Our main objective is to describe the patterns of above ground biomass (AGB) stocks across major tropical forests across climatic gradients in Northwestern South America. We gathered data from 200 plots across the region, at elevations ranging between 0 to 3400 m. We estimated AGB based on allometric equations and values for stem density, basal area, and wood density weighted by basal area at the plot-level. We used two groups of climatic variables, namely mean annual temperature and actual evapotranspiration as surrogates of environmental energy, and annual precipitation, precipitation seasonality, and water availability as surrogates of water availability. We found that AGB is more closely related to water availability variables than to energy variables. In northwest South America, water availability influences carbon stocks principally by determining stand structure, i.e. basal area. When water deficits increase in tropical forests we can expect negative impact on biomass and hence carbon storage.

  2. An improved conjugate gradient scheme to the solution of least squares SVM.

    Science.gov (United States)

    Chu, Wei; Ong, Chong Jin; Keerthi, S Sathiya

    2005-03-01

    The least square support vector machines (LS-SVM) formulation corresponds to the solution of a linear system of equations. Several approaches to its numerical solutions have been proposed in the literature. In this letter, we propose an improved method to the numerical solution of LS-SVM and show that the problem can be solved using one reduced system of linear equations. Compared with the existing algorithm for LS-SVM, the approach used in this letter is about twice as efficient. Numerical results using the proposed method are provided for comparisons with other existing algorithms.

  3. Bone marrow-derived cells for cardiovascular cell therapy: an optimized GMP method based on low-density gradient improves cell purity and function.

    Science.gov (United States)

    Radrizzani, Marina; Lo Cicero, Viviana; Soncin, Sabrina; Bolis, Sara; Sürder, Daniel; Torre, Tiziano; Siclari, Francesco; Moccetti, Tiziano; Vassalli, Giuseppe; Turchetto, Lucia

    2014-09-27

    Cardiovascular cell therapy represents a promising field, with several approaches currently being tested. The advanced therapy medicinal product (ATMP) for the ongoing METHOD clinical study ("Bone marrow derived cell therapy in the stable phase of chronic ischemic heart disease") consists of fresh mononuclear cells (MNC) isolated from autologous bone marrow (BM) through density gradient centrifugation on standard Ficoll-Paque. Cells are tested for safety (sterility, endotoxin), identity/potency (cell count, CD45/CD34/CD133, viability) and purity (contaminant granulocytes and platelets). BM-MNC were isolated by density gradient centrifugation on Ficoll-Paque. The following process parameters were optimized throughout the study: gradient medium density; gradient centrifugation speed and duration; washing conditions. A new manufacturing method was set up, based on gradient centrifugation on low density Ficoll-Paque, followed by 2 washing steps, of which the second one at low speed. It led to significantly higher removal of contaminant granulocytes and platelets, improving product purity; the frequencies of CD34+ cells, CD133+ cells and functional hematopoietic and mesenchymal precursors were significantly increased. The methodological optimization described here resulted in a significant improvement of ATMP quality, a crucial issue to clinical applications in cardiovascular cell therapy.

  4. Non-dissipative kinetic simulation and analytical solution of three-mode equations of ion temperature gradient instability

    International Nuclear Information System (INIS)

    Watanabe, T.-H.; Sugama, H.; Sato, T.

    1999-12-01

    A non-dissipative drift kinetic simulation scheme, which rigorously satisfies the time-reversibility, is applied to the three-mode coupling problem of the ion temperature gradient (ITG) instability. It is found from the simulation that the three-mode ITG system repeats growth and decay with a period which shows a logarithmic divergence for infinitesimal initial perturbations. Accordingly, time average of the mode amplitude vanishes, as the initial amplitude approaches to zero. An exact solution is analytically given for a class of initial conditions. An excellent agreement is confirmed between the analytical solution and numerical results. The results obtained here provide a useful reference for basic benchmarking of theories and simulation of the ITG modes. (author)

  5. Thermodynamic analysis of energy density in pressure retarded osmosis: The impact of solution volumes and costs

    International Nuclear Information System (INIS)

    Reimund, Kevin K.

    2015-01-01

    A general method was developed for estimating the volumetric energy efficiency of pressure retarded osmosis via pressure-volume analysis of a membrane process. The resulting model requires only the osmotic pressure, π, and mass fraction, w, of water in the concentrated and dilute feed solutions to estimate the maximum achievable specific energy density, uu, as a function of operating pressure. The model is independent of any membrane or module properties. This method utilizes equilibrium analysis to specify the volumetric mixing fraction of concentrated and dilute solution as a function of operating pressure, and provides results for the total volumetric energy density of similar order to more complex models for the mixing of seawater and riverwater. Within the framework of this analysis, the total volumetric energy density is maximized, for an idealized case, when the operating pressure is π(1+√w -1 ), which is lower than the maximum power density operating pressure, Δπ/2, derived elsewhere, and is a function of the solute osmotic pressure at a given mass fraction. It was also found that a minimum 1.45 kmol of ideal solute is required to produce 1 kWh of energy while a system operating at "maximum power density operating pressure" requires at least 2.9 kmol. Utilizing this methodology, it is possible to examine the effects of volumetric solution cost, operation of a module at various pressure, and operation of a constant pressure module with various feed.

  6. Thermodynamic analysis of energy density in pressure retarded osmosis: The impact of solution volumes and costs

    Energy Technology Data Exchange (ETDEWEB)

    Reimund, Kevin K. [Univ. of Connecticut, Storrs, CT (United States). Dept. of Chemical and Biomolecular Engineering; McCutcheon, Jeffrey R. [Univ. of Connecticut, Storrs, CT (United States). Dept. of Chemical and Biomolecular Engineering; Wilson, Aaron D. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-08-01

    A general method was developed for estimating the volumetric energy efficiency of pressure retarded osmosis via pressure-volume analysis of a membrane process. The resulting model requires only the osmotic pressure, π, and mass fraction, w, of water in the concentrated and dilute feed solutions to estimate the maximum achievable specific energy density, uu, as a function of operating pressure. The model is independent of any membrane or module properties. This method utilizes equilibrium analysis to specify the volumetric mixing fraction of concentrated and dilute solution as a function of operating pressure, and provides results for the total volumetric energy density of similar order to more complex models for the mixing of seawater and riverwater. Within the framework of this analysis, the total volumetric energy density is maximized, for an idealized case, when the operating pressure is π/(1+√w⁻¹), which is lower than the maximum power density operating pressure, Δπ/2, derived elsewhere, and is a function of the solute osmotic pressure at a given mass fraction. It was also found that a minimum 1.45 kmol of ideal solute is required to produce 1 kWh of energy while a system operating at “maximum power density operating pressure” requires at least 2.9 kmol. Utilizing this methodology, it is possible to examine the effects of volumetric solution cost, operation of a module at various pressure, and operation of a constant pressure module with various feed.

  7. Probing Ionic Liquid Aqueous Solutions Using Temperature of Maximum Density Isotope Effects

    Directory of Open Access Journals (Sweden)

    Mohammad Tariq

    2013-03-01

    Full Text Available This work is a new development of an extensive research program that is investigating for the first time shifts in the temperature of maximum density (TMD of aqueous solutions caused by ionic liquid solutes. In the present case we have compared the shifts caused by three ionic liquid solutes with a common cation—1-ethyl-3-methylimidazolium coupled with acetate, ethylsulfate and tetracyanoborate anions—in normal and deuterated water solutions. The observed differences are discussed in terms of the nature of the corresponding anion-water interactions.

  8. Global existence and large time asymptotic behavior of strong solutions to the Cauchy problem of 2D density-dependent Navier–Stokes equations with vacuum

    Science.gov (United States)

    Lü, Boqiang; Shi, Xiaoding; Zhong, Xin

    2018-06-01

    We are concerned with the Cauchy problem of the two-dimensional (2D) nonhomogeneous incompressible Navier–Stokes equations with vacuum as far-field density. It is proved that if the initial density decays not too slow at infinity, the 2D Cauchy problem of the density-dependent Navier–Stokes equations on the whole space admits a unique global strong solution. Note that the initial data can be arbitrarily large and the initial density can contain vacuum states and even have compact support. Furthermore, we also obtain the large time decay rates of the spatial gradients of the velocity and the pressure, which are the same as those of the homogeneous case.

  9. Solution of transient problems with steep gradients: novel front-tracking strategy

    DEFF Research Database (Denmark)

    Kiil, Søren; Bhatia, Suresh K.; Dam-Johansen, Kim

    1995-01-01

    and tested for the case of a gas-solid noncatalytic reaction in a porous solid at high Thiele modulus. Accurate and convergent steep profiles are obtained here for Thiele modulus larger than 50 for the case of slab as well as spherical geometry and found to match the analytical solution when it exists (such...

  10. Strong solutions for an incompressible Navier-Stokes/Allen-Cahn system with different densities

    Science.gov (United States)

    Li, Yinghua; Huang, Mingxia

    2018-06-01

    In this paper, we investigate a coupled Navier-Stokes/Allen-Cahn system describing a diffuse interface model for two-phase flow of viscous incompressible fluids with different densities in a bounded domain Ω \\subset R^N(N=2,3). We prove the existence and uniqueness of local strong solutions to the initial boundary value problem when the initial density function ρ _0 has a positive lower bound.

  11. Semi-exact solution of non-uniform thickness and density rotating disks. Part II: Elastic strain hardening solution

    International Nuclear Information System (INIS)

    Hojjati, M.H.; Jafari, S.

    2009-01-01

    Analytical solutions for the elastic-plastic stress distribution in rotating annular disks with uniform and variable thicknesses and densities are obtained under plane stress assumption. The solution employs a technique called the homotopy perturbation method. A numerical solution of the governing differential equation is also presented based on the Runge-Kutta's method for both elastic and plastic regimes. The analysis is based on Tresca's yield criterion, its associated flow rule and linear strain hardening. The results of the two methods are compared and generally show good agreement. It is shown that, depending on the boundary conditions used, the plastic core may contain one, two or three different plastic regions governed by different mathematical forms of the yield criterion. Four different stages of elastic-plastic deformation occur. The expansion of these plastic regions with increasing angular velocity is obtained together with the distributions of stress and displacement

  12. Local existence of solutions to the Euler-Poisson system, including densities without compact support

    Science.gov (United States)

    Brauer, Uwe; Karp, Lavi

    2018-01-01

    Local existence and well posedness for a class of solutions for the Euler Poisson system is shown. These solutions have a density ρ which either falls off at infinity or has compact support. The solutions have finite mass, finite energy functional and include the static spherical solutions for γ = 6/5. The result is achieved by using weighted Sobolev spaces of fractional order and a new non-linear estimate which allows to estimate the physical density by the regularised non-linear matter variable. Gamblin also has studied this setting but using very different functional spaces. However we believe that the functional setting we use is more appropriate to describe a physical isolated body and more suitable to study the Newtonian limit.

  13. Acceptable solutions obtained by unfolding noisy data with a conjugate gradient technique

    International Nuclear Information System (INIS)

    Lang, D.W.

    1976-01-01

    A linear resolution function in a physical measurement leads to data values and standard deviations at, say, N points. It is noted that the associated resolution functions may require that a number n of particular linear combinations of the data values be each not significantly different from zero. One is left with at most N-n parameters to evaluate. If the resolution functions are reasonably behaved, one can show that one sensible way to describe the underlying spectrum treats it as a linear combination of the given resolution functions and includes all the significant information from the data. An iterative search for the best component available to minimize the chi-square of the next fit to the data leads to a conjugate gradient technique. Programs based on the technique have been successfully used to obtain neutron spectra as a function of energy; in raw data from a pulse height analysis of proton recoils in a proportional counter, and where the raw data are time of flight spectra from a time dependent pulse of known form. It is planned to incorporate these, together with working programs respectively for photonuclear analysis and to explore the impurity concentration profile in a surface, into a single ''work-bench'' type program. A suitably difficult model unfolding problem has been developed and used to show the strengths and weaknesses of a number of other methods that have been used for unfolding

  14. Assessment of swim-up and discontinuous density gradient in sperm sex preselection for bovine embryo production

    Directory of Open Access Journals (Sweden)

    A.C Lucio

    2012-06-01

    Full Text Available The purpose of this work was to associate the modified swim-up method with centrifugation in density gradient for the separation of X-bearing spermatozoa. Sperm viability and integrity were evaluated through the Trypan Blue/Giemsa staining method. Quality control of centrifuged spermatozoa was performed in in vitro produced embryos. The results were validated by the sex ratio of in vitro produced embryos using PCR by Y- specific sequences present in bovine male genomic DNA. After determining genetic sex of in vitro produced embryos, the results showed difference (P<0.05 in deviation of sex ratio when comparing the control group (45.2% females with the other spermatozoa selection procedures (60.6% females (P<0.05. The sperm selection methods are capable of selecting X-bearing spermatozoa without compromising the spermatozoa fertility (cleavage and blastocyst rates, 70% and 26%, respectively and were considered relevant methods to be introduced in bovine in vitro produced embryo programs.

  15. Space Electron Density Gradient Studies using a 3D Embedded Reconfigurable Sounder and ESA/NASA CLUSTER Mission

    Science.gov (United States)

    Dekoulis, George

    2016-07-01

    This paper provides a direct comparison between data captured by a new embedded reconfigurable digital sounder, different ground-based ionospheric sounders spread around Europe and the ESA/NASA CLUSTER mission. The CLUSTER mission consists of four identical space probes flying in a formation that allows measurements of the electron density gradient in the local magnetic field. Both the ground-based and the spacecraft instrumentations assist in studying the motion, geometry and boundaries of the plasmasphere. The comparison results are in accordance to each other. Some slight deviations among the captured data were expected from the beginning of this investigation. These small discrepancies are reasonable and seriatim analyzed. The results of this research are significant, since the level of the plasma's ionization, which is related to the solar activity, dominates the propagation of electromagnetic waves through it. Similarly, unusually high solar activity presents serious hazards to orbiting satellites, spaceborne instrumentation, satellite communications and infrastructure located on the Earth's surface. Long-term collaborative study of the data is required to continue, in order to identify and determine the enhanced risk in advance. This would allow scientists to propose an immediate cure.

  16. A density gradient of VAPG peptides on a cell-resisting surface achieves selective adhesion and directional migration of smooth muscle cells over fibroblasts.

    Science.gov (United States)

    Yu, Shan; Zuo, Xingang; Shen, Tao; Duan, Yiyuan; Mao, Zhengwei; Gao, Changyou

    2018-05-01

    Selective adhesion and migration of smooth muscle cells (SMCs) over fibroblasts (FIBs) is required to prevent adventitia fibrosis in vascular regeneration. In this study, a uniform cell-resisting layer of poly(ethylene glycol) (PEG) with a density gradient of azide groups was generated on a substrate by immobilizing two kinds of PEG molecules in a gradient manner. A density gradient of alkynyl-functionalized Val-Ala-Pro-Gly (VAPG) peptides was then prepared on the PEG layer via click chemistry. The VAPG density gradient was characterized by fluorescence imaging, revealing the gradual enhancement of the fluorescent intensity along the substrate direction. The adhesion and mobility of SMCs were selectively enhanced on the VAPG density gradient, leading to directional migration toward the higher peptide density (up to 84%). In contrast, the adhesion and mobility of FIBs were significantly weakened. The net displacement of SMCs also significantly increased compared with that on tissue culture polystyrene (TCPS) and that of FIBs on the gradient. The mitogen-activated protein kinase (MAPK) signaling pathways related to cell migration were studied, showing higher expressions of functional proteins from SMCs on the VAPG-modified surface in a density-dependent manner. For the first time the selective adhesion and directional migration of SMCs over FIBs was achieved by an elaborative design of a gradient surface, leading to a new insight in design of novel vascular regenerative materials. Selective cell adhesion and migration guided by regenerative biomaterials are extremely important for the regeneration of targeted tissues, which can avoid the drawbacks of incorrect and uncontrolled responses of tissue cells to implants. For example, selectivity of smooth muscle cells (SMCs) over fibroblasts (FIBs) is required to prevent adventitia fibrosis in vascular regeneration. Herein we prepare a uniform cell-repelling layer, on which SMCs-selective Val-Ala-Pro-Gly (VAPG) peptides

  17. A thermodynamic model for aqueous solutions of liquid-like density

    Energy Technology Data Exchange (ETDEWEB)

    Pitzer, K.S.

    1987-06-01

    The paper describes a model for the prediction of the thermodynamic properties of multicomponent aqueous solutions and discusses its applications. The model was initially developed for solutions near room temperature, but has been found to be applicable to aqueous systems up to 300/sup 0/C or slightly higher. A liquid-like density and relatively small compressibility are assumed. A typical application is the prediction of the equilibrium between an aqueous phase (brine) and one or more solid phases (minerals). (ACR)

  18. Inorganic species of arsenic in soil solution determined by microcartridges and ferrihydrite-based diffusive gradient in thin films (DGT).

    Science.gov (United States)

    Moreno-Jiménez, Eduardo; Six, Laetitia; Williams, Paul N; Smolders, Erik

    2013-01-30

    The bioavailability of soil arsenic (As) is determined by its speciation in soil solution, i.e., arsenite [As(III)] or arsenate [As(V)]. Soil bioavailability studies require suitable methods to cope with small volumes of soil solution that can be speciated directly after sampling, and thereby minimise any As speciation change during sample collection. In this study, we tested a self-made microcartridge to separate both As species and compared it to a commercially available cartridge. In addition, the diffusive gradient in thin films technique (DGT), in combination with the microcartridges, was applied to synthetic solutions and to a soil spiked with As. This combination was used to improve the assessment of available inorganic As species with ferrihydrite(FH)-DGT, in order to validate the technique for environmental analysis, mainly in soils. The self-made microcartridge was effective in separating As(III) from As(V) in solution with detection by inductively coupled plasma optical emission spectrometry (ICP-OES) in volumes of only 3 ml. The DGT study also showed that the FH-based binding gels are effective for As(III) and As(V) assessment, in solutions with As and P concentrations and ionic strength commonly found in soils. The FH-DGT was tested on flooded and unflooded As spiked soils and recoveries of As(III) and As(V) were 85-104% of the total dissolved As. This study shows that the DGT with FH-based binding gel is robust for assessing inorganic species of As in soils. Copyright © 2012 Elsevier B.V. All rights reserved.

  19. Particles and solutes migration in porous medium : radionuclides and clayey particles simultaneous transport under the effect of a salinity gradient

    International Nuclear Information System (INIS)

    Faure, M.H.

    1994-01-01

    This work deals with the radiation protection of high-level and long-life radioactive waste storages. The colloids presence in ground waters can accelerate the radionuclides migration in natural geological deposits. The aim of this thesis is then to control particularly the particles motion in porous medium in order to anticipate quantitatively their migration. Liquid chromatography columns are filled with a clayey sand and fed with a decreasing concentration sodium chloride solution in order to study the particles outlet under a salinity gradient. When the porous medium undergoes a decrease of salinity it deteriorates. The adsorption of the cations : sodium 22, calcium 45, cesium 137 and neptunium 237 is then studied by the ions exchange method. The radionuclide solution is injected before the decrease of the feed solution salinity. The decrease of the sodium chloride concentration leads to the decrease of the radionuclides concentration because the adsorption competition between the sodium ion and the injected cation is lower. The particles transport, without fouling of the porous medium, is carried out in particular physical and chemical conditions which are described. (O.L.). 71 refs., 105 figs., 26 tabs

  20. Cultivo de células mesenquimais do sangue de cordão umbilical com e sem uso do gradiente de densidade Ficoll-Paque Blood mesenchymal stem cell culture from the umbilical cord with and without Ficoll-Paque density gradient method

    Directory of Open Access Journals (Sweden)

    Rosa Sayoko Kawasaki-Oyama

    2008-03-01

    Ficoll-Paque gradient density method (d=1.077g/ml. METHODS: Ten samples of the umbilical cord blood obtained from full-term deliveries were submitted to two different procedures of mesenchymal stem cell culture: a Method without the Ficoll-Paque density gradient, which concentrates all nucleated cells; b Method with the Ficoll-Paque density gradient, which selects only low-density mononuclear cells. Cells were initially plated into 25 cm² cultures flasks at a density of 1x10(7 nucleated cells/cm² and 1x10(6 mononuclear cells/cm². RESULTS: It was obtained 2-13x10(7 (median = 2.35x10(7 nucleated cells/cm² by the method without the Ficoll-Paque gradient density, and 3.7-15.7x10(6 (median = 7.2x10(6 mononuclear cells/cm² by the method with the Ficoll-Paque gradient density. In all cultures adherent cells were observed 24 hours after being cultured. Cells presented fibroblastoid and epithelioid morphology. In most of the cultures, cell proliferation occurred in the first week, but after the second week only some cultures - derived from the method without the Ficoll-Paque gradient density - maintained the growth rate reaching confluence. Those cultures were submitted to trypsinization with 0.25% trypsin/EDTA solution and cultured for two to three months. CONCLUSION: In the samples analyzed, cell separation and mesenchymal stem cell culture techniques from human umbilical cord blood by the method without the Ficoll-Paque density gradient was more efficient than the method with the Ficoll-Paque density gradient.

  1. STEREOCHEMICAL ASPECTS OF HYDRATION OF CARBOHYDRATES IN AQUEOUS-SOLUTIONS .3. DENSITY AND ULTRASOUND MEASUREMENTS

    NARCIS (Netherlands)

    GALEMA, SA; HOILAND, H

    1991-01-01

    Density and ultrasound measurements have been performed in aqueous solutions of pentoses, hexoses, methylpyranosides, and disaccharides as a function of molality of carbohydrate (0-0.3 mol kg-1). Partial molar volumes, partial molar isentropic compressibilities, and hydration numbers have been

  2. Approximate solution of the Saha equation - temperature as an explicit function of particle densities

    International Nuclear Information System (INIS)

    Sato, M.

    1991-01-01

    The Saha equation for a plasma in thermodynamic equilibrium (TE) is approximately solved to give the temperature as an explicit function of population densities. It is shown that the derived expressions for the Saha temperature are valid approximations to the exact solution. An application of the approximate temperature to the calculation of TE plasma parameters is also described. (orig.)

  3. Density Fluctuation in Aqueous Solutions and Molecular Origin of Salting-Out Effect for CO2

    International Nuclear Information System (INIS)

    Ho, Tuan Anh; Ilgen, Anastasia

    2017-01-01

    Using molecular dynamics simulation, we studied the density fluctuations and cavity formation probabilities in aqueous solutions and their effect on the hydration of CO 2 . With increasing salt concentration, we report an increased probability of observing a larger than the average number of species in the probe volume. Our energetic analyses indicate that the van der Waals and electrostatic interactions between CO 2 and aqueous solutions become more favorable with increasing salt concentration, favoring the solubility of CO 2 (salting in). However, due to the decreasing number of cavities forming when salt concentration is increased, the solubility of CO 2 decreases. The formation of cavities was found to be the primary control on the dissolution of gas, and is responsible for the observed CO 2 salting-out effect. Finally, our results provide the fundamental understanding of the density fluctuation in aqueous solutions and the molecular origin of the salting-out effect for real gas.

  4. Separation of copper flotation concentrates into density fractions by means of polytungstate aqueous solution

    Directory of Open Access Journals (Sweden)

    Luszczkiewicz Andrzej

    2016-01-01

    Full Text Available Industrial and laboratory flotation copper concentrates were subjected to separation into density fractions by means of heavy liquids in the form of sodium polytungstate aqueous solutions. For two samples, three densities factions were created, however in different density ranges. The density fractions were analyzed to establish the content of copper, lead, silver and organic carbon. The size of particles in both samples was similar (90-95% −0.071 mm. It was found that the lightest density fractions −2.45 and −2.0 g/cm3 still contained sulfide minerals scattered in the organic carbon bearing particles. Removal of the lightest density fraction (−2.0 g/cm3 from the industrial concentrate samples led to considerable reduction of organic carbon (92% and increasing its quality from 13 to 28% Cu. The mineralogical analysis of the heavy liquid separation products showed that most sulfide minerals were evenly dissemination in the heaviest density fractions with the recovery of 95-98%. The lightest density fraction of −2.0 g/cm3, being the richest in organic carbon, contained approximately 3% of unliberated sulfide minerals.

  5. Genetic search for an optimal power flow solution from a high density cluster

    Energy Technology Data Exchange (ETDEWEB)

    Amarnath, R.V. [Hi-Tech College of Engineering and Technology, Hyderabad (India); Ramana, N.V. [JNTU College of Engineering, Jagityala (India)

    2008-07-01

    This paper proposed a novel method to solve optimal power flow (OPF) problems. The method is based on a genetic algorithm (GA) search from a High Density Cluster (GAHDC). The algorithm of the proposed method includes 3 stages, notably (1) a suboptimal solution is obtained via a conventional analytical method, (2) a high density cluster, which consists of other suboptimal data points from the first stage, is formed using a density-based cluster algorithm, and (3) a genetic algorithm based search is carried out for the exact optimal solution from a low population sized, high density cluster. The final optimal solution thoroughly satisfies the well defined fitness function. A standard IEEE 30-bus test system was considered for the simulation study. Numerical results were presented and compared with the results of other approaches. It was concluded that although there is not much difference in numerical values, the proposed method has the advantage of minimal computational effort and reduced CPU time. As such, the method would be suitable for online applications such as the present Optimal Power Flow problem. 24 refs., 2 tabs., 4 figs.

  6. High density liquid structure enhancement in glass forming aqueous solution of LiCl

    Science.gov (United States)

    Camisasca, G.; De Marzio, M.; Rovere, M.; Gallo, P.

    2018-06-01

    We investigate using molecular dynamics simulations the dynamical and structural properties of LiCl:6H2O aqueous solution upon supercooling. This ionic solution is a glass forming liquid of relevant interest in connection with the study of the anomalies of supercooled water. The LiCl:6H2O solution is easily supercooled and the liquid state can be maintained over a large decreasing temperature range. We performed simulations from ambient to 200 K in order to investigate how the presence of the salt modifies the behavior of supercooled water. The study of the relaxation time of the self-density correlation function shows that the system follows the prediction of the mode coupling theory and behaves like a fragile liquid in all the range explored. The analysis of the changes in the water structure induced by the salt shows that while the salt preserves the water hydrogen bonds in the system, it strongly affects the tetrahedral hydrogen bond network. Following the interpretation of the anomalies of water in terms of a two-state model, the modifications of the oxygen radial distribution function and the angular distribution function of the hydrogen bonds in water indicate that LiCl has the role of enhancing the high density liquid component of water with respect to the low density component. This is in agreement with recent experiments on aqueous ionic solutions.

  7. EFFECTIVENESS OF DOUBLE WASH SWIM-UP VERSUS DOUBLE DENSITY GRADIENT SWIM-UP TECHNIQUE OF SPERM PREPARATION IN IN VITRO FERTILISATION

    Directory of Open Access Journals (Sweden)

    Srinivas Sangisapu

    2017-10-01

    Full Text Available BACKGROUND Recovery of optimum number of good quality of spermatozoa is an important component of In Vitro Fertilisation (IVF. This is achieved by sperm preparation methods involving separation and recovery of capacitated sperms. Double Wash Swim-up (DWSU and Double Density Gradient Swim-up (DDGSU are two most accepted methods. Cochrane systematic review (2007 finds no clear benefit of one method over the other in Intrauterine Insemination (IUI. Systematic review on effectiveness of these preparations in IVF is lacking. Effectiveness is generally assessed in terms recovery rates of the sperms. Capability of successful fertilisation of good quality oocytes should ideally be the functional endpoint for evaluating effectiveness of sperm preparation methods. The aim of the study is to1. Compare the successful fertilisation rates of oocytes inseminated by semen preparation of Double Wash Swim-up (DWSU vis-a-vis by Double Density Gradient Swim-up (DDGSU method. 2. Evaluate the effectiveness of fertilisation of oocytes by Double Wash Swim-up method (DWSU vis-a-vis Double Density Gradient Swim-up (DDGSU method. MATERIALS AND METHODS A retrospective cohort study was conducted on infertile couples undergoing IVF from June 2014 to June 2017 at an ART Centre of a tertiary care hospital. The male partners were normozoospermic and female partners were normoresponsive to controlled ovarian stimulation and oocyte retrieval. RESULTS 70 male partners were subjected to double wash swim-up and 64 underwent double density gradient swim-up preparation. 1296 good quality oocytes were retrieved in their respective female partners. 452 (61% out of 742 oocytes were successfully fertilised after insemination by semen prepared by DWSU method. 378 (68% oocytes out of 554 were fertilised by insemination with semen prepared by DDGSU method. There seems to be strong association (RR=1.12 of fertilisation success with oocytes exposed to semen prepared by Double Density Gradient

  8. An analysis of the gradient-induced electric fields and current densities in human models when situated in a hybrid MRI-LINAC system

    International Nuclear Information System (INIS)

    Liu, Limei; Trakic, Adnan; Sanchez-Lopez, Hector; Liu, Feng; Crozier, Stuart

    2014-01-01

    MRI-LINAC is a new image-guided radiotherapy treatment system that combines magnetic resonance imaging (MRI) with a linear accelerator (LINAC) in a single unit. One drawback is that the pulsing of the split gradient coils of the system induces an electric field and currents in the patient which need to be predicted and evaluated for patient safety. In this novel numerical study the in situ electric fields and associated current densities were evaluated inside tissue-accurate male and female human voxel models when a number of different split-geometry gradient coils were operated. The body models were located in the MRI-LINAC system along the axial and radial directions in three different body positions. Each model had a region of interest (ROI) suitable for image-guided radiotherapy. The simulation results show that the amplitudes and distributions of the field and current density induced by different split x-gradient coils were similar with one another in the ROI of the body model, but varied outside of the region. The fields and current densities induced by a split classic coil with the surface unconnected showed the largest deviation from those given by the conventional non-split coils. Another finding indicated that the distributions of the peak current densities varied when the body position, orientation or gender changed, while the peak electric fields mainly occurred in the skin and fat tissues. (paper)

  9. Global solution to the 3D inhomogeneous nematic liquid crystal flows with variable density

    Science.gov (United States)

    Hu, Xianpeng; Liu, Qiao

    2018-04-01

    In this paper, we investigate the global existence and uniqueness of solution to the 3D inhomogeneous incompressible nematic liquid crystal flows with variable density in the framework of Besov spaces. It is proved that there exists a global and unique solution to the nematic liquid crystal flows if the initial data (ρ0 - 1 ,u0 ,n0 -e3) ∈ M (B˙p,1 3/p - 1 (R3)) × B˙p,1 3/p - 1 (R3) × B˙p,1 3/p (R3) with 1 ≤ p < 6, and satisfies

  10. Density-Dependent Conformable Space-time Fractional Diffusion-Reaction Equation and Its Exact Solutions

    Science.gov (United States)

    Hosseini, Kamyar; Mayeli, Peyman; Bekir, Ahmet; Guner, Ozkan

    2018-01-01

    In this article, a special type of fractional differential equations (FDEs) named the density-dependent conformable fractional diffusion-reaction (DDCFDR) equation is studied. Aforementioned equation has a significant role in the modelling of some phenomena arising in the applied science. The well-organized methods, including the \\exp (-φ (\\varepsilon )) -expansion and modified Kudryashov methods are exerted to generate the exact solutions of this equation such that some of the solutions are new and have been reported for the first time. Results illustrate that both methods have a great performance in handling the DDCFDR equation.

  11. Size-dependent error of the density functional theory ionization potential in vacuum and solution.

    Science.gov (United States)

    Sosa Vazquez, Xochitl A; Isborn, Christine M

    2015-12-28

    Density functional theory is often the method of choice for modeling the energetics of large molecules and including explicit solvation effects. It is preferable to use a method that treats systems of different sizes and with different amounts of explicit solvent on equal footing. However, recent work suggests that approximate density functional theory has a size-dependent error in the computation of the ionization potential. We here investigate the lack of size-intensivity of the ionization potential computed with approximate density functionals in vacuum and solution. We show that local and semi-local approximations to exchange do not yield a constant ionization potential for an increasing number of identical isolated molecules in vacuum. Instead, as the number of molecules increases, the total energy required to ionize the system decreases. Rather surprisingly, we find that this is still the case in solution, whether using a polarizable continuum model or with explicit solvent that breaks the degeneracy of each solute, and we find that explicit solvent in the calculation can exacerbate the size-dependent delocalization error. We demonstrate that increasing the amount of exact exchange changes the character of the polarization of the solvent molecules; for small amounts of exact exchange the solvent molecules contribute a fraction of their electron density to the ionized electron, but for larger amounts of exact exchange they properly polarize in response to the cationic solute. In vacuum and explicit solvent, the ionization potential can be made size-intensive by optimally tuning a long-range corrected hybrid functional.

  12. EFFECTIVENESS OF DOUBLE WASH SWIM-UP VERSUS DOUBLE DENSITY GRADIENT SWIM-UP TECHNIQUE OF SPERM PREPARATION IN IN VITRO FERTILISATION

    OpenAIRE

    Srinivas Sangisapu; Sandeep Karunakaran; Ashok Kumar Pillai

    2017-01-01

    BACKGROUND Recovery of optimum number of good quality of spermatozoa is an important component of In Vitro Fertilisation (IVF). This is achieved by sperm preparation methods involving separation and recovery of capacitated sperms. Double Wash Swim-up (DWSU) and Double Density Gradient Swim-up (DDGSU) are two most accepted methods. Cochrane systematic review (2007) finds no clear benefit of one method over the other in Intrauterine Insemination (IUI). Systematic review on effective...

  13. Influence of velocity gradient on optimisation of the aggregation process and physical properties of formed aggregates. Part 1. Inline high density suspension (IHDS) aggregation process

    Czech Academy of Sciences Publication Activity Database

    Polášek, Pavel

    2011-01-01

    Roč. 59, č. 2 (2011), s. 107-117 ISSN 0042-790X R&D Projects: GA ČR GA103/07/1016 Institutional research plan: CEZ:AV0Z20600510 Keywords : flocculation optimum * inline high density suspension (IHDS) formation process * properties of aggregates * intensity of agitation * velocity gradient G Subject RIV: BK - Fluid Dynamics Impact factor: 0.340, year: 2011

  14. A Breast Cell Atlas: Organelle analysis of the MDA-MB-231 cell line by density-gradient fractionation using isotopic marking and label-free analysis

    Directory of Open Access Journals (Sweden)

    Marianne Sandin

    2015-09-01

    Full Text Available Protein translocation between organelles in the cell is an important process that regulates many cellular functions. However, organelles can rarely be isolated to purity so several methods have been developed to analyse the fractions obtained by density gradient centrifugation. We present an analysis of the distribution of proteins amongst organelles in the human breast cell line, MDA-MB-231 using two approaches: an isotopic labelling and a label-free approach.

  15. An analytical solution for stationary distribution of photon density in traveling-wave and reflective SOAs

    International Nuclear Information System (INIS)

    Totović, A R; Crnjanski, J V; Krstić, M M; Gvozdić, D M

    2014-01-01

    In this paper, we analyze two semiconductor optical amplifier (SOA) structures, traveling-wave and reflective, with the active region made of the bulk material. The model is based on the stationary traveling-wave equations for forward and backward propagating photon densities of the signal and the amplified spontaneous emission, along with the stationary carrier rate equation. We start by introducing linear approximation of the carrier density spatial distribution, which enables us to find solutions for the photon densities in a closed analytical form. An analytical approach ensures a low computational resource occupation and an easy analysis of the parameters influencing the SOA’s response. The comparison of the analytical and numerical results shows high agreement for a wide range of the input optical powers and bias currents. (paper)

  16. Derivation of the threshold condition for the ion temperature gradient mode with an inverted density profile from a simple physics picture

    Science.gov (United States)

    Jhang, Hogun

    2018-05-01

    We show that the threshold condition for the toroidal ion temperature gradient (ITG) mode with an inverted density profile can be derived from a simple physics argument. The key in this picture is that the density inversion reduces the ion compression due to the ITG mode and the electron drift motion mitigates the poloidal potential build-up. This condition reproduces the same result that has been reported from a linear gyrokinetic calculation [T. S. Hahm and W. M. Tang, Phys. Fluids B 1, 1185 (1989)]. The destabilizing role of trapped electrons in toroidal geometry is easily captured in this picture.

  17. Joint density-functional theory and its application to systems in solution

    Science.gov (United States)

    Petrosyan, Sahak A.

    The physics of solvation, the interaction of water with solutes, plays a central role in chemistry and biochemistry, and it is essential for the very existence of life. Despite the central importance of water and the advent of the quantum theory early in the twentieth century, the link between the fundamental laws of physics and the observable properties of water remain poorly understood to this day. The central goal of this thesis is to develop a new formalism and framework to make the study of systems (solutes or surfaces) in contact with liquid water as practical and accurate as standard electronic structure calculations without the need for explicit averaging over large ensembles of configurations of water molecules. The thesis introduces a new form of density functional theory for the ab initio description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of a solute with a classical density-functional theory for the liquid into a single variational principle for the free energy of the combined system. Using the new form of density-functional theory for the ab initio description of electronic systems in contact with a molecular liquid environment, the thesis then presents the first detailed study of the impact of a solvent on the surface chemistry of Cr2O3, the passivating layer of stainless steel alloys. In comparison to a vacuum, we predict that the presence of water has little impact on the adsorption of chloride ions to the oxygen-terminated surface but has a dramatic effect on the binding of hydrogen to that surface. A key ingredient of a successful joint density functional theory is a good approximate functional for describing the solvent. We explore how the simplest examples of the best known class of approximate forms for the classical density functional fail when applied directly to water. The thesis then presents a computationally efficient density

  18. Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory.

    Science.gov (United States)

    Langenbach, K; Heilig, M; Horsch, M; Hasse, H

    2018-03-28

    A new method for predicting homogeneous bubble nucleation rates of pure compounds from vapor-liquid equilibrium (VLE) data is presented. It combines molecular dynamics simulation on the one side with density gradient theory using an equation of state (EOS) on the other. The new method is applied here to predict bubble nucleation rates in metastable liquid carbon dioxide (CO 2 ). The molecular model of CO 2 is taken from previous work of our group. PC-SAFT is used as an EOS. The consistency between the molecular model and the EOS is achieved by adjusting the PC-SAFT parameters to VLE data obtained from the molecular model. The influence parameter of density gradient theory is fitted to the surface tension of the molecular model. Massively parallel molecular dynamics simulations are performed close to the spinodal to compute bubble nucleation rates. From these simulations, the kinetic prefactor of the hybrid nucleation theory is estimated, whereas the nucleation barrier is calculated from density gradient theory. This enables the extrapolation of molecular simulation data to the whole metastable range including technically relevant densities. The results are tested against available experimental data and found to be in good agreement. The new method does not suffer from typical deficiencies of classical nucleation theory concerning the thermodynamic barrier at the spinodal and the bubble size dependence of surface tension, which is typically neglected in classical nucleation theory. In addition, the density in the center of critical bubbles and their surface tension is determined as a function of their radius. The usual linear Tolman correction to the capillarity approximation is found to be invalid.

  19. Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory

    Science.gov (United States)

    Langenbach, K.; Heilig, M.; Horsch, M.; Hasse, H.

    2018-03-01

    A new method for predicting homogeneous bubble nucleation rates of pure compounds from vapor-liquid equilibrium (VLE) data is presented. It combines molecular dynamics simulation on the one side with density gradient theory using an equation of state (EOS) on the other. The new method is applied here to predict bubble nucleation rates in metastable liquid carbon dioxide (CO2). The molecular model of CO2 is taken from previous work of our group. PC-SAFT is used as an EOS. The consistency between the molecular model and the EOS is achieved by adjusting the PC-SAFT parameters to VLE data obtained from the molecular model. The influence parameter of density gradient theory is fitted to the surface tension of the molecular model. Massively parallel molecular dynamics simulations are performed close to the spinodal to compute bubble nucleation rates. From these simulations, the kinetic prefactor of the hybrid nucleation theory is estimated, whereas the nucleation barrier is calculated from density gradient theory. This enables the extrapolation of molecular simulation data to the whole metastable range including technically relevant densities. The results are tested against available experimental data and found to be in good agreement. The new method does not suffer from typical deficiencies of classical nucleation theory concerning the thermodynamic barrier at the spinodal and the bubble size dependence of surface tension, which is typically neglected in classical nucleation theory. In addition, the density in the center of critical bubbles and their surface tension is determined as a function of their radius. The usual linear Tolman correction to the capillarity approximation is found to be invalid.

  20. High density of tree-cavities and snags in tropical dry forest of western Mexico raises questions for a latitudinal gradient.

    Directory of Open Access Journals (Sweden)

    Leopoldo Vázquez

    Full Text Available It has been suggested that a latitudinal gradient exists of a low density of snags and high density of naturally-formed tree-cavities in tropical vs. temperate forests, though few cavities may have characteristics suitable for nesting by birds. We determined snag and cavity density, characteristics, and suitability for birds in a tropical dry forest biome of western Mexico, and evaluated whether our data fits the trend of snag and cavity density typically found in tropical moist and wet forests. We established five 0.25-ha transects to survey and measure tree-cavities and snags in each of three vegetation types of deciduous, semi-deciduous, and mono-dominant Piranhea mexicana forest, comprising a total of 3.75 ha. We found a high density of 77 cavities/ha, with 37 cavities suitable for birds/ha, where density, and characteristics of cavities varied significantly among vegetation types. Lowest abundance of cavities occurred in deciduous forest, and these were in smaller trees, at a lower height, and with a narrower entrance diameter. Only 8.6% of cavities were excavated by woodpeckers, and only 11% of cavities were occupied, mainly by arthropods, though 52% of all cavities were unsuitable for birds. We also found a high density of 56 snags/ha, with greatest density in deciduous forest (70 snags/ha, though these were of significantly smaller diameter, and snags of larger diameter were more likely to contain cavities. The Chamela-Cuixmala tropical dry forest had the highest density of snags recorded for any tropical or temperate forest, and while snag density was significantly correlated with mean snag dbh, neither latitude nor mean dbh predicted snag density in ten forest sites. The high spatial aggregation of snag and cavity resources in tropical dry forest may limit their availability, particularly for large-bodied cavity adopters, and highlights the importance of habitat heterogeneity in providing resources for primary and secondary cavity-nesters.

  1. High density of tree-cavities and snags in tropical dry forest of western Mexico raises questions for a latitudinal gradient.

    Science.gov (United States)

    Vázquez, Leopoldo; Renton, Katherine

    2015-01-01

    It has been suggested that a latitudinal gradient exists of a low density of snags and high density of naturally-formed tree-cavities in tropical vs. temperate forests, though few cavities may have characteristics suitable for nesting by birds. We determined snag and cavity density, characteristics, and suitability for birds in a tropical dry forest biome of western Mexico, and evaluated whether our data fits the trend of snag and cavity density typically found in tropical moist and wet forests. We established five 0.25-ha transects to survey and measure tree-cavities and snags in each of three vegetation types of deciduous, semi-deciduous, and mono-dominant Piranhea mexicana forest, comprising a total of 3.75 ha. We found a high density of 77 cavities/ha, with 37 cavities suitable for birds/ha, where density, and characteristics of cavities varied significantly among vegetation types. Lowest abundance of cavities occurred in deciduous forest, and these were in smaller trees, at a lower height, and with a narrower entrance diameter. Only 8.6% of cavities were excavated by woodpeckers, and only 11% of cavities were occupied, mainly by arthropods, though 52% of all cavities were unsuitable for birds. We also found a high density of 56 snags/ha, with greatest density in deciduous forest (70 snags/ha), though these were of significantly smaller diameter, and snags of larger diameter were more likely to contain cavities. The Chamela-Cuixmala tropical dry forest had the highest density of snags recorded for any tropical or temperate forest, and while snag density was significantly correlated with mean snag dbh, neither latitude nor mean dbh predicted snag density in ten forest sites. The high spatial aggregation of snag and cavity resources in tropical dry forest may limit their availability, particularly for large-bodied cavity adopters, and highlights the importance of habitat heterogeneity in providing resources for primary and secondary cavity-nesters.

  2. Measurement of deuterium density profiles in the H-mode steep gradient region using charge exchange recombination spectroscopy on DIII-D.

    Science.gov (United States)

    Haskey, S R; Grierson, B A; Burrell, K H; Chrystal, C; Groebner, R J; Kaplan, D H; Pablant, N A; Stagner, L

    2016-11-01

    Recent completion of a thirty two channel main-ion (deuterium) charge exchange recombination spectroscopy (CER) diagnostic on the DIII-D tokamak [J. L. Luxon, Nucl. Fusion 42, 614 (2002)] enables detailed comparisons between impurity and main-ion temperature, density, and toroidal rotation. In a H-mode DIII-D discharge, these new measurement capabilities are used to provide the deuterium density profile, demonstrate the importance of profile alignment between Thomson scattering and CER diagnostics, and aid in determining the electron temperature at the separatrix. Sixteen sightlines cover the core of the plasma and another sixteen are densely packed towards the plasma edge, providing high resolution measurements across the pedestal and steep gradient region in H-mode plasmas. Extracting useful physical quantities such as deuterium density is challenging due to multiple photoemission processes. These challenges are overcome using a detailed fitting model and by forward modeling the photoemission using the FIDASIM code, which implements a comprehensive collisional radiative model.

  3. Reduced density gradient as a novel approach for estimating QSAR descriptors, and its application to 1, 4-dihydropyridine derivatives with potential antihypertensive effects.

    Science.gov (United States)

    Jardínez, Christiaan; Vela, Alberto; Cruz-Borbolla, Julián; Alvarez-Mendez, Rodrigo J; Alvarado-Rodríguez, José G

    2016-12-01

    The relationship between the chemical structure and biological activity (log IC 50 ) of 40 derivatives of 1,4-dihydropyridines (DHPs) was studied using density functional theory (DFT) and multiple linear regression analysis methods. With the aim of improving the quantitative structure-activity relationship (QSAR) model, the reduced density gradient s( r) of the optimized equilibrium geometries was used as a descriptor to include weak non-covalent interactions. The QSAR model highlights the correlation between the log IC 50 with highest molecular orbital energy (E HOMO ), molecular volume (V), partition coefficient (log P), non-covalent interactions NCI(H4-G) and the dual descriptor [Δf(r)]. The model yielded values of R 2 =79.57 and Q 2 =69.67 that were validated with the next four internal analytical validations DK=0.076, DQ=-0.006, R P =0.056, and R N =0.000, and the external validation Q 2 boot =64.26. The QSAR model found can be used to estimate biological activity with high reliability in new compounds based on a DHP series. Graphical abstract The good correlation between the log IC 50 with the NCI (H4-G) estimated by the reduced density gradient approach of the DHP derivatives.

  4. A relativistic density functional study of uranyl hydrolysis and complexation by carboxylic acids in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Ray, Rupashree Shyama

    2009-02-10

    In this work, the complexation of uranium in its most stable oxidation state VI in aqueous solution was studied computationally, within the framework of density functional (DF) theory. The thesis is divided into the following parts: Chapter 2 briefly summarizes the relevant general aspects of actinide chemistry and then focuses on actinide environmental chemistry. Experimental results on hydrolysis, actinide complexation by carboxylic acids, and humic substances are presented to establish a background for the subsequent discussion. Chapter 3 describes the computational method used in this work and the relevant features of the parallel quantum chemistry code PARAGAUSS employed. First, the most relevant basics of the applied density functional approach are presented focusing on relativistic effects. Then, the treatment of solvent effects, essential for an adequate modeling of actinide species in aqueous solution, will be introduced. At the end of this chapter, computational parameters and procedures will be summarized. Chapter 4 presents the computational results including a comparison to available experimental data. In the beginning, the mononuclear hydrolysis product of UO{sub 2}{sup 2+}, [UO{sub 2}OH]{sup +}, will be discussed. The second part deals with actinide complexation by carboxylate ligands. First of all the coordination number for uranylacetate will be discussed with respect to implications for the complexation of actinides by humic substances followed by the uranyl complexation of aromatic carboxylic acids in comparison to earlier results for aliphatic ones. In the end, the ternary uranyl-hydroxo-acetate are discussed, as models of uranyl humate complexation at ambient condition.

  5. A relativistic density functional study of uranyl hydrolysis and complexation by carboxylic acids in aqueous solution

    International Nuclear Information System (INIS)

    Ray, Rupashree Shyama

    2009-01-01

    In this work, the complexation of uranium in its most stable oxidation state VI in aqueous solution was studied computationally, within the framework of density functional (DF) theory. The thesis is divided into the following parts: Chapter 2 briefly summarizes the relevant general aspects of actinide chemistry and then focuses on actinide environmental chemistry. Experimental results on hydrolysis, actinide complexation by carboxylic acids, and humic substances are presented to establish a background for the subsequent discussion. Chapter 3 describes the computational method used in this work and the relevant features of the parallel quantum chemistry code PARAGAUSS employed. First, the most relevant basics of the applied density functional approach are presented focusing on relativistic effects. Then, the treatment of solvent effects, essential for an adequate modeling of actinide species in aqueous solution, will be introduced. At the end of this chapter, computational parameters and procedures will be summarized. Chapter 4 presents the computational results including a comparison to available experimental data. In the beginning, the mononuclear hydrolysis product of UO_2"2"+, [UO_2OH]"+, will be discussed. The second part deals with actinide complexation by carboxylate ligands. First of all the coordination number for uranylacetate will be discussed with respect to implications for the complexation of actinides by humic substances followed by the uranyl complexation of aromatic carboxylic acids in comparison to earlier results for aliphatic ones. In the end, the ternary uranyl-hydroxo-acetate are discussed, as models of uranyl humate complexation at ambient condition.

  6. Convergent sum of gradient expansion of the kinetic-energy density functional up to the sixth order term using Padé approximant

    Science.gov (United States)

    Sergeev, A.; Alharbi, F. H.; Jovanovic, R.; Kais, S.

    2016-04-01

    The gradient expansion of the kinetic energy density functional, when applied to atoms or finite systems, usually grossly overestimates the energy in the fourth order and generally diverges in the sixth order. We avoid the divergence of the integral by replacing the asymptotic series including the sixth order term in the integrand by a rational function. Padé approximants show moderate improvements in accuracy in comparison with partial sums of the series. The results are discussed for atoms and Hooke’s law model for two-electron atoms.

  7. Comparison of Conjugate Gradient Density Matrix Search and Chebyshev Expansion Methods for Avoiding Diagonalization in Large-Scale Electronic Structure Calculations

    Science.gov (United States)

    Bates, Kevin R.; Daniels, Andrew D.; Scuseria, Gustavo E.

    1998-01-01

    We report a comparison of two linear-scaling methods which avoid the diagonalization bottleneck of traditional electronic structure algorithms. The Chebyshev expansion method (CEM) is implemented for carbon tight-binding calculations of large systems and its memory and timing requirements compared to those of our previously implemented conjugate gradient density matrix search (CG-DMS). Benchmark calculations are carried out on icosahedral fullerenes from C60 to C8640 and the linear scaling memory and CPU requirements of the CEM demonstrated. We show that the CPU requisites of the CEM and CG-DMS are similar for calculations with comparable accuracy.

  8. Densities and solubilities of Glycylglycine and Glycyl-L-Alanine in Aqueous Electrolyte Solutions

    DEFF Research Database (Denmark)

    Breil, Martin Peter; Mollerup, Jørgen; Rudolph, E. Susanne J.

    2004-01-01

    Solubilities of glycylglycine and glycyl-L-alanine in aqueous electrolyte solutions containing 0-6 molal NaCl, 0-1 molal Na2SO4, and 0-1 molal (NH4)(2)SO4, have been determined experimentally at 298.15 K and atmospheric pressure. The solubility of glycylglycine and glycyl-L-alanine in pure water...... is 1.74 and 4.78 mol/kg of water, respectively. The solubility of glycylglycine in salt solutions of NaCl, Na2SO4, and (NH4)(2)SO4 show a moderate salting-in effect. The solubility of glycyl-L-alanine show a minor or no salting-in effect at low salt concentrations and a moderate salting-out effect...... at higher salt concentrations in NaCl and Na2SO4, and in (NH4)(2)SO4 the solubility is almost constant. The densities of the solutions have been determined experimentally, and the volume expansions by dissolving salt and dipeptide in water have been calculated. (C) 2003 Elsevier B.V. All rights reserved....

  9. Retention prediction of highly polar ionizable solutes under gradient conditions on a mixed-mode reversed-phase and weak anion-exchange stationary phase.

    Science.gov (United States)

    Balkatzopoulou, P; Fasoula, S; Gika, H; Nikitas, P; Pappa-Louisi, A

    2015-05-29

    In the present work the retention of three highly polar and ionizable solutes - uric acid, nicotinic acid and ascorbic acid - was investigated on a mixed-mode reversed-phase and weak anion-exchange (RP/WAX) stationary phase in buffered aqueous acetonitrile (ACN) mobile phases. A U-shaped retention behavior was observed for all solutes with respect to the eluent organic modifier content studied in a range of 5-95% (v/v). This retention behavior clearly demonstrates the presence of a HILIC-type retention mechanism at ACN-rich hydro-organic eluents and an RP-like retention at aqueous-rich hydro-organic eluents. Hence, this column should be promising for application under both RP and HILIC gradient elution modes. For this reason, a series of programmed elution runs were carried out with increasing (RP) and decreasing (HILIC) organic solvent concentration in the mobile phase. This dual gradient process was successfully modeled by two retention models exhibiting a quadratic or a cubic dependence of the logarithm of the solute retention factor (lnk) upon the organic modifier volume fraction (φ). It was found that both models produced by gradient retention data allow the prediction of solute retention times for both types of programmed elution on the mixed-mode column. Four, in the case of the quadratic model, or five, in the case of the cubic model, initial HILIC- and RP-type gradient runs gave satisfactory retention predictions of any similar kind elution program, even with different flow rate, with an overall error of only 2.5 or 1.7%, respectively. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. An oscillating extracellular voltage gradient reduces the density and influences the orientation of astrocytes in injured mammalian spinal cord.

    Science.gov (United States)

    Moriarty, L J; Borgens, R B

    2001-01-01

    We have studied the cellular basis for recovery from acute spinal cord injury induced by applied electric fields. We have emphasized this recovery is due to the regeneration of spinal axons around and through the lesion, and have begun to evaluate the contribution of other cells to the recovery process. We have imposed a voltage gradient of about 320 microV/mm across puncture wounds to the adult rat spinal cord in order to study the accumulation and orientation of GFAP+ astrocytes within and adjacent to the lesion. This electric field was imposed by a miniaturized electronic implant designed to alternate the polarity of the field every 15 minutes. Astrocytes are known to undergo hyperplastic transformation within injured mammalian cords forming a major component of the scar that forms in response to injury. We have made three observations using a new computer based morphometry technique: First, we note a slight shift in the orientation of astrocytes parallel to the long axis of the spinal cord towards an imaginary reference perpendicular to this axis by approximately 10 degrees--but only in undamaged white matter near the lesion. Second, the relative number of astrocytes was markedly, and statistically significantly, reduced within electrically--treated spinal cords, particularly in the lesion. Third, the imposed voltage gradient statistically reduced the numbers of astrocytes possessing oriented cell processes within the injury site compared to adjacent undamaged regions of spinal cord.

  11. A one-step separation of human serum high density lipoproteins 2 and 3 by rate-zonal density gradient ultracentrifugation in a swinging bucket rotor

    NARCIS (Netherlands)

    Groot, P.H.E.; Scheek, L.M.; Havekes, L.; Noort, W.L. van; Hooft, F.M. van 't

    1982-01-01

    A method was developed for the separation of the high density lipoprotein subclasses HDL2 and HDL3 from human serum. Six serum samples are fractionated in a single-step ultracentrifugal procedure using the Beckman (SW-40) swinging bucket rotor. The method is based on a difference in flotation rate

  12. Effect of temperature gradient in the solution on spiral growth of YBa2Cu3O7-x bulk single crystals

    International Nuclear Information System (INIS)

    Kanamori, Y.; Shiohara, Y.

    1996-01-01

    Bulk single crystals of Y123 are required to clarify the superconductivity phenomena and develop electronic devices using unique superconductive properties. Only the Solute Rich Liquid endash Crystal Pulling (SRL-CP) method has succeeded in continuous growth of the Y123 single crystal. In this paper, we investigated the growth of Y123 single crystals under different temperature gradients in the solution in order to understand the growth mechanism of Y123. It was revealed that Y123 single crystals grow with a spiral growth mode, which is in good agreement with the BCF theory. copyright 1996 Materials Research Society

  13. A substrate independent approach for generation of surface gradients

    Energy Technology Data Exchange (ETDEWEB)

    Goreham, Renee V. [Mawson Institute, University of South Australia, Mawson Lakes 5095 (Australia); Mierczynska, Agnieszka; Pierce, Madelene [Ian Wark Research Institute, University of South Australia, Mawson Lakes 5095 (Australia); Short, Robert D.; Taheri, Shima; Bachhuka, Akash; Cavallaro, Alex; Smith, Louise E. [Mawson Institute, University of South Australia, Mawson Lakes 5095 (Australia); Vasilev, Krasimir, E-mail: krasimir.vasilev@unisa.edu.au [Mawson Institute, University of South Australia, Mawson Lakes 5095 (Australia)

    2013-01-01

    Recently, surface gradients have attracted significant interest for various research and technological applications. In this paper, we report a facile and versatile method for generating surface gradients of immobilized nanoparticles, nanotopography and ligands that is independent from the substrate material. The method consists of first depositing a functional polymer layer on a substrate and subsequent time controlled immersion of this functionalized substrate in solution gold nanoparticles (AuNPs), silver nanoparticles (AgNPs) or poly (styrenesulfonate) (PSS). Chemical characterization by X-ray Photoelectron Spectroscopy (XPS) and morphological analysis by Atomic Force Microscopy (AFM) show that the density of nanoparticles and the concentration of PSS across the surface increases in a gradient manner. As expected, time of immersion determines the concentration of surface bound species. We also demonstrate the generation of surface gradients of pure nanotopography. This is achieved by depositing a 5 nm thick plasma polymer layer on top of the number density gradient of nanoparticles to achieve a homogeneous surface chemistry. The surface independent approach for generation of surface gradients presented in this paper may open opportunities for a wider use of surface gradient in research and in various technologies. - Highlights: ► We present a substrate independent approach for generation of surface gradients. ► We demonstrate well-defined density gradients of gold and silver nanoparticles. ► We provide an example of pure surface nanotopography gradients. ► We demonstrate concentration gradients of bound ligands.

  14. A substrate independent approach for generation of surface gradients

    International Nuclear Information System (INIS)

    Goreham, Renee V.; Mierczynska, Agnieszka; Pierce, Madelene; Short, Robert D.; Taheri, Shima; Bachhuka, Akash; Cavallaro, Alex; Smith, Louise E.; Vasilev, Krasimir

    2013-01-01

    Recently, surface gradients have attracted significant interest for various research and technological applications. In this paper, we report a facile and versatile method for generating surface gradients of immobilized nanoparticles, nanotopography and ligands that is independent from the substrate material. The method consists of first depositing a functional polymer layer on a substrate and subsequent time controlled immersion of this functionalized substrate in solution gold nanoparticles (AuNPs), silver nanoparticles (AgNPs) or poly (styrenesulfonate) (PSS). Chemical characterization by X-ray Photoelectron Spectroscopy (XPS) and morphological analysis by Atomic Force Microscopy (AFM) show that the density of nanoparticles and the concentration of PSS across the surface increases in a gradient manner. As expected, time of immersion determines the concentration of surface bound species. We also demonstrate the generation of surface gradients of pure nanotopography. This is achieved by depositing a 5 nm thick plasma polymer layer on top of the number density gradient of nanoparticles to achieve a homogeneous surface chemistry. The surface independent approach for generation of surface gradients presented in this paper may open opportunities for a wider use of surface gradient in research and in various technologies. - Highlights: ► We present a substrate independent approach for generation of surface gradients. ► We demonstrate well-defined density gradients of gold and silver nanoparticles. ► We provide an example of pure surface nanotopography gradients. ► We demonstrate concentration gradients of bound ligands

  15. Increase in specific density of levobupivacaine and fentanyl solution ensures lower incidence of inadequate block.

    Science.gov (United States)

    Djeno, Ivana Tudorić; Duzel, Viktor; Ajduk, Marko; Oremus, Zrinka Safarić; Zupcić, Miroslav; Dusper, Silva; Jukić, Dubravko; Husedzinović, Ino

    2012-06-01

    The clinical presentation of a subarachnoid block (SAB) is dependent upon the intrathecal spread of local anesthetic (LA). Intrathecal distribution depends on the chemical and physical characteristics of LA, puncture site, technique used, patient anatomical characteristics and hydrodynamic properties of cerebrospinal fluid. We tried to determine whether a combined glucose/LA solution can render a clinically significant difference in sensory block distribution and motor block intensity.This was a controlled, randomized and double blinded study. The surgical procedures were stripping of the great or small saphenous vein and extirpation of remaining varicose veins. The study included 110 patients distributed into two groups: Hyperbaric (7.5 mg levobupivacaine (1.5 ml 0.5% Chirocaine) + 50 microg Fentanyl (0.5 ml Fentanil) and 1 ml 10% glucose (Pliva)) vs. Hypobaric (7.5 mg levobupivacaine (1.5 ml 0.5% Chirocaine) + 50 microg Fentanyl (0.5 ml Fentanil) and 1 ml 0.9% NaCl (Pliva, Zagreb)) adding to a total volume of 3.5 ml per solution. Spinal puncture was at L3-L4 level. Spinal block distribution was assessed in five minute intervals and intensity of motor block was assessed according to the modified Bromage scale. Pain was assessed with the Visual Analogue Scale. A statistically significant difference in sensory block distribution, motor block intensity and recovery time was established between hyperbaric and hypobaric solutions. By increasing the specific density of anesthetic solution, a higher sensory block, with lesser variability, a diminished influence of Body Mass Index, decreased motor block intensity and faster recovery time may be achieved.

  16. Comparative validation using quantitative real-time PCR (qPCR and conventional PCR of bovine semen centrifuged in continuous density gradient

    Directory of Open Access Journals (Sweden)

    M.V. Resende

    2011-06-01

    Full Text Available The objective of the present study was to determine the sperm enrichment with X-bearing spermatozoa, after one centrifugation in a Percoll or OptiPrep continuous density gradient, using quantitative real-time polymerase chain reaction (qPCR of sperm DNA and resultant in vitro-produced bovine embryos by PCR. Frozen/thawed sperm was layered on density gradients and the tubes were centrifuged. Supernatants were gently aspirated and the sperm recovered from the bottom of the tubes. Cleavage and blastocyst rates were determined through in vitro production of embryos and PCR was performed to identify the embryos' genetic sex. A difference in blastocyst rate was found in the Percoll treatment compared to OptiPrep (P<0.05. The percentage of female embryos in the Percoll and OptiPrep groups was 62.0% and 47.1%, respectively. These results were confirmed by qPCR of spermatozoa DNA and underestimation was seen only in the Percoll group. It was possible to sexing sperm using simple approach.

  17. Simultaneous determination of nitric acid and uranium concentrations in aqueous solution from measurements of electrical conductivity, density, and temperature

    International Nuclear Information System (INIS)

    Spencer, B.B.

    1991-01-01

    Nuclear fuel reprocessing plants handle aqueous solutions of nitric acid and uranium in large quantities. Automatic control of process operations requires reliable measurements of these solutes concentration, but this is difficult to directly measure. Physical properties such as solution density and electrical conductivity vary with solute concentration and temperature. Conductivity, density and temperature can be measured accurately with relatively simple and inexpensive devices. These properties can be used to determine solute concentrations will good correlations. This paper provides the appropriate correlations for solutions containing 2 to 6 Molar (M) nitric acid and 0 to 300 g/L uranium metal at temperatures from 25--90 degrees C. The equations are most accurate below 5 M nitric acid, due to a broad maximum in the conductivity curve at 6 M. 12 refs., 9 figs., 6 tabs

  18. Tripolar vortex formation in dense quantum plasma with ion-temperature-gradients

    Science.gov (United States)

    Qamar, Anisa; Ata-ur-Rahman, Mirza, Arshad M.

    2012-05-01

    We have derived system of nonlinear equations governing the dynamics of low-frequency electrostatic toroidal ion-temperature-gradient mode for dense quantum magnetoplasma. For some specific profiles of the equilibrium density, temperature, and ion velocity gradients, the nonlinear equations admit a stationary solution in the form of a tripolar vortex. These results are relevant to understand nonlinear structure formation in dense quantum plasmas in the presence of equilibrium ion-temperature and density gradients.

  19. Tripolar vortex formation in dense quantum plasma with ion-temperature-gradients

    Energy Technology Data Exchange (ETDEWEB)

    Qamar, Anisa; Ata-ur-Rahman [Institute of Physics and Electronics, University of Peshawar, Khyber Pakhtoon Khwa 25000 (Pakistan); National Center for Physics Shahdrah Valley Road, Islamabad 44000 (Pakistan); Mirza, Arshad M. [Theoretical Plasma Physics Group, Physics Department, Quaid-i-Azam University, Islamabad 45320 (Pakistan)

    2012-05-15

    We have derived system of nonlinear equations governing the dynamics of low-frequency electrostatic toroidal ion-temperature-gradient mode for dense quantum magnetoplasma. For some specific profiles of the equilibrium density, temperature, and ion velocity gradients, the nonlinear equations admit a stationary solution in the form of a tripolar vortex. These results are relevant to understand nonlinear structure formation in dense quantum plasmas in the presence of equilibrium ion-temperature and density gradients.

  20. Tripolar vortex formation in dense quantum plasma with ion-temperature-gradients

    International Nuclear Information System (INIS)

    Qamar, Anisa; Ata-ur-Rahman; Mirza, Arshad M.

    2012-01-01

    We have derived system of nonlinear equations governing the dynamics of low-frequency electrostatic toroidal ion-temperature-gradient mode for dense quantum magnetoplasma. For some specific profiles of the equilibrium density, temperature, and ion velocity gradients, the nonlinear equations admit a stationary solution in the form of a tripolar vortex. These results are relevant to understand nonlinear structure formation in dense quantum plasmas in the presence of equilibrium ion-temperature and density gradients.

  1. Soft-solution route to ZnO nanowall array with low threshold power density

    Science.gov (United States)

    Jang, Eue-Soon; Chen, Xiaoyuan; Won, Jung-Hee; Chung, Jae-Hun; Jang, Du-Jeon; Kim, Young-Woon; Choy, Jin-Ho

    2010-07-01

    ZnO nanowall array (ZNWA) has been directionally grown on the buffer layer of ZnO nanoparticles dip-coated on Si-wafer under a soft solution process. Nanowalls on substrate are in most suitable shape and orientation not only as an optical trap but also as an optical waveguide due to their unique growth habit, V[011¯0]≫V[0001]≈V[0001¯]. Consequently, the stimulated emission at 384 nm through nanowalls is generated by the threshold power density of only 25 kW/cm2. Such UV lasing properties are superior to those of previously reported ZnO nanorod arrays. Moreover, there is no green (defect) emission due to the mild procedure to synthesize ZNWA.

  2. Collinear and TMD quark and gluon densities from parton branching solution of QCD evolution equations

    Energy Technology Data Exchange (ETDEWEB)

    Hautmann, F. [Rutherford Appleton Laboratory, Chilton (United Kingdom); Oxford Univ. (United Kingdom). Dept. of Theoretical Physics; Antwerpen Univ. (Belgium). Elementaire Deeltjes Fysica; Jung, H.; Lelek, A.; Zlebcik, R. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Radescu, V. [European Organization for Nuclear Research (CERN), Geneva (Switzerland)

    2017-08-15

    We study parton-branching solutions of QCD evolution equations and present a method to construct both collinear and transverse momentum dependent (TMD) parton densities from this approach. We work with next-to-leading-order (NLO) accuracy in the strong coupling. Using the unitarity picture in terms of resolvable and non-resolvable branchings, we analyze the role of the soft-gluon resolution scale in the evolution equations. For longitudinal momentum distributions, we find agreement of our numerical calculations with existing evolution programs at the level of better than 1 percent over a range of five orders of magnitude both in evolution scale and in longitudinal momentum fraction. We make predictions for the evolution of transverse momentum distributions. We perform fits to the high-precision deep inelastic scattering (DIS) structure function measurements, and we present a set of NLO TMD distributions based on the parton branching approach.

  3. General Exact Solution to the Problem of the Probability Density for Sums of Random Variables

    Science.gov (United States)

    Tribelsky, Michael I.

    2002-07-01

    The exact explicit expression for the probability density pN(x) for a sum of N random, arbitrary correlated summands is obtained. The expression is valid for any number N and any distribution of the random summands. Most attention is paid to application of the developed approach to the case of independent and identically distributed summands. The obtained results reproduce all known exact solutions valid for the, so called, stable distributions of the summands. It is also shown that if the distribution is not stable, the profile of pN(x) may be divided into three parts, namely a core (small x), a tail (large x), and a crossover from the core to the tail (moderate x). The quantitative description of all three parts as well as that for the entire profile is obtained. A number of particular examples are considered in detail.

  4. Different elution modes and field programming in gravitational field-flow fractionation: Field programming using density and viscosity gradients

    Czech Academy of Sciences Publication Activity Database

    Plocková, Jana; Chmelík, Josef

    2006-01-01

    Roč. 1118, č. 2 (2006), s. 253-260 ISSN 0021-9673 R&D Projects: GA MZe QD1005 Institutional research plan: CEZ:AV0Z40310501 Keywords : gravitational field flow fractionation * focusing elution mode * carrier liquid density Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 3.554, year: 2006

  5. Density gradient multilayered polymerization (DGMP): a novel technique for creating multi-compartment, customizable scaffolds for tissue engineering.

    Science.gov (United States)

    Joshi-Barr, Shivanjali; Karpiak, Jerome V; Ner, Yogesh; Wen, Jessica H; Engler, Adam J; Almutairi, Adah

    2013-02-12

    Complex tissue culture matrices, in which types and concentrations of biological stimuli (e.g. growth factors, inhibitors, or small molecules) or matrix structure (e.g. composition, concentration, or stiffness of the matrix) vary over space, would enable a wide range of investigations concerning how these variables affect cell differentiation, migration, and other phenomena. The major challenge in creating layered matrices is maintaining the structural integrity of layer interfaces without diffusion of individual components from each layer. Current methodologies to achieve this include photopatterning, lithography, sequential functionalization5, freeze drying, microfluidics, or centrifugation, many of which require sophisticated instrumentation and technical skills. Others rely on sequential attachment of individual layers, which may lead to delamination of layers. DGMP overcomes these issues by using an inert density modifier such as iodixanol to create layers of varying densities. Since the density modifier can be mixed with any prepolymer or bioactive molecule, DGMP allows each scaffold layer to be customized. Simply varying the concentration of the density modifier prevents mixing of adjacent layers while they remain aqueous. Subsequent single step polymerization gives rise to a structurally continuous multilayered scaffold, in which each layer has distinct chemical and mechanical properties. The density modifier can be easily removed with sufficient rinsing without perturbation of the individual layers or their components. This technique is therefore well suited for creating hydrogels of various sizes, shapes, and materials. A protocol for fabricating a 2D-polyethylene glycol (PEG) gel, in which alternating layers incorporate RGDS-350, is outlined below. We use PEG because it is biocompatible and inert. RGDS, a cell adhesion peptide, is used to demonstrate spatial restriction of a biological cue, and the conjugation of a fluorophore (Alexa Fluor 350) enables

  6. Thermodynamics of the multi-stage self-assembly of pH-sensitive gradient copolymers in aqueous solutions

    Czech Academy of Sciences Publication Activity Database

    Černochová, Zulfiya; Bogomolova, Anna; Borisova, O. V.; Filippov, Sergey K.; Černoch, Peter; Billon, L.; Borisov, O. V.; Štěpánek, Petr

    2016-01-01

    Roč. 12, č. 32 (2016), s. 6788-6798 ISSN 1744-683X R&D Projects: GA MŠk(CZ) LH14079; GA ČR(CZ) GC15-10527J Institutional support: RVO:61389013 Keywords : gradient copolymers * isothermal titration calorimetry Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.889, year: 2016

  7. Programmed gradient descent biosorption of strontium ions by Saccaromyces cerevisiae and ashing analysis: A decrement solution for nuclide and heavy metal disposal

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Mingxue [Life Science and Engineering College, Southwest University of Science and Technology, Mianyang, 621010 (China); Key Laboratory of Solid Waste Treatment and Resource Recycle, Ministry of Education of China, Mianyang, 621010 (China); Dong, Faqin, E-mail: fqdong@swust.edu.cn [Key Laboratory of Solid Waste Treatment and Resource Recycle, Ministry of Education of China, Mianyang, 621010 (China); Zhang, Wei [Key Laboratory of Solid Waste Treatment and Resource Recycle, Ministry of Education of China, Mianyang, 621010 (China); Nie, Xiaoqin [Fundamental Science on Nuclear Wastes and Environmental Safety Laboratory, Mianyang, 621010 (China); Sun, Shiyong [Key Laboratory of Solid Waste Treatment and Resource Recycle, Ministry of Education of China, Mianyang, 621010 (China); Wei, Hongfu; Luo, Lang; Xiang, Sha; Zhang, Gege [Life Science and Engineering College, Southwest University of Science and Technology, Mianyang, 621010 (China)

    2016-08-15

    Highlights: • A programmed gradient descent biosorption process was designed. • The adsorption and bioaccumulation quantity of strontium ions by yeast cell were measured. • The decrement of biosorbents after biosorption by ashing was analyzed. • A technological flow process of decrement solution for waste disposal was proposed. - Abstract: One of the waste disposal principles is decrement. The programmed gradient descent biosorption of strontium ions by Saccaromyces cerevisiae regarding bioremoval and ashing process for decrement were studied in present research. The results indicated that S. cerevisiae cells showed valid biosorption for strontium ions with greater than 90% bioremoval efficiency for high concentration strontium ions under batch culture conditions. The S. cerevisiae cells bioaccumulated approximately 10% of strontium ions in the cytoplasm besides adsorbing 90% strontium ions on cell wall. The programmed gradient descent biosorption presented good performance with a nearly 100% bioremoval ratio for low concentration strontium ions after 3 cycles. The ashing process resulted in a huge volume and weight reduction ratio as well as enrichment for strontium in the ash. XRD results showed that SrSO{sub 4} existed in ash. Simulated experiments proved that sulfate could adjust the precipitation of strontium ions. Finally, we proposed a technological flow process that combined the programmed gradient descent biosorption and ashing, which could yield great decrement and allow the supernatant to meet discharge standard. This technological flow process may be beneficial for nuclides and heavy metal disposal treatment in many fields.

  8. Tracing salmon-derived nutrients and contaminants in freshwater food webs across a pronounced spawner density gradient.

    Science.gov (United States)

    Gregory-Eaves, Irene; Demers, J Marc J; Kimpe, Lynda; Krümmel, Eva M; Macdonald, Robie W; Finney, Bruce P; Blais, Jules M

    2007-06-01

    Many have demonstrated that anadromous Pacific salmon are significant vectors of nutrients from the ocean to freshwaters. Recently. however, it has been recognized that salmon spawners also input significant quantities of contaminants. The objectives of this paper are to delineate the extent to which salmon-derived nutrients are integrated into the freshwater food web using delta(15)N and delta(13)C and to assess the influence of the salmon pathway in the accumulation of contaminants in rainbow trout (Oncorhynchus mykiss). We found that the delta(15)N and delta(13)C of food web components were related positively and significantly to sockeye salmon (Oncorhynchus nerka) spawner density. Contaminant concentrations in rainbow trout also positively and significantly were related to sockeye salmon spawner density. These data suggest that the anadromous salmon nutrient and contaminant pathways are related and significantly impact the contaminant burden of resident fish.

  9. Correlations Between the Gradient of Contrast Density, Evaluated by Cardio CT, and Functional Significance of Coronary Artery Stenosis

    Directory of Open Access Journals (Sweden)

    Orzan Marius

    2016-06-01

    Full Text Available Background: Assessment of the hemodynamic significance of a coronary artery stenosis is a challenging task, being extremely important for the establishment of indication for revascularization in atherosclerotic coronary artery stenosis. The aim of this study was to evaluate the role of a new marker reflecting the functional significance of a coronary artery stenosis, represented by the attenuation degree of contrast density along the stenosis by Coronary CT.

  10. A combined finite element-boundary integral formulation for solution of two-dimensional scattering problems via CGFFT. [Conjugate Gradient Fast Fourier Transformation

    Science.gov (United States)

    Collins, Jeffery D.; Volakis, John L.; Jin, Jian-Ming

    1990-01-01

    A new technique is presented for computing the scattering by 2-D structures of arbitrary composition. The proposed solution approach combines the usual finite element method with the boundary-integral equation to formulate a discrete system. This is subsequently solved via the conjugate gradient (CG) algorithm. A particular characteristic of the method is the use of rectangular boundaries to enclose the scatterer. Several of the resulting boundary integrals are therefore convolutions and may be evaluated via the fast Fourier transform (FFT) in the implementation of the CG algorithm. The solution approach offers the principal advantage of having O(N) memory demand and employs a 1-D FFT versus a 2-D FFT as required with a traditional implementation of the CGFFT algorithm. The speed of the proposed solution method is compared with that of the traditional CGFFT algorithm, and results for rectangular bodies are given and shown to be in excellent agreement with the moment method.

  11. Quality regularities of dynamic X-ray diffraction in superlattices and films with variable gradient of deformation based on analysis of types of Takagi equation solutions

    International Nuclear Information System (INIS)

    Dyshekov, A.A.; Khapachev, Yu.P.

    1997-01-01

    It is proposed to use qualitative investigation methods of the differential Takagi equation solutions for the analysis of general properties of wave fields in deformed crystals. The physical interpretation of possible types of the Takagi equation solutions is considered briefly from the viewpoint of the stability theory. The type of solutions are defined by ratios between parameters involved in the equations set. For the Takagi equation these parameters are prescribed by the angular tuning from the precise Bragg angle as well as structural characteristics of the crystal and the deformation profile. The qualitative analysis for the problem of the dynamic X-ray diffraction is carried out for films with the variable deformation gradient and superlattices [ru

  12. Contact resistance problems applying ERT on low bulk density forested stony soils. Is there a solution?

    Science.gov (United States)

    Deraedt, Deborah; Touzé, Camille; Robert, Tanguy; Colinet, Gilles; Degré, Aurore; Garré, Sarah

    2015-04-01

    Electrical resistivity tomography (ERT) has often been put forward as a promising tool to quantify soil water and solute fluxes in a non-invasive way. In our experiment, we wanted to determine preferential flow processes along a forested hillslope using a saline tracer with ERT. The experiment was conducted in the Houille watershed, subcatchment of the Meuse located in the North of Belgian Ardennes (50° 1'52.6'N, 4° 53'22.5'E). The climate is continental but the soil under spruce (Picea abies (L.) Karst.) and Douglas fire stand (Pseudotsuga menziesii (Mirb.) Franco) remains quite dry (19% WVC in average) during the whole year. The soil is Cambisol and the parent rock is Devonian schist covered with variable thickness of silty loam soil. The soil density ranges from 1.13 to 1.87 g/cm3 on average. The stone content varies from 20 to 89% and the soil depth fluctuates between 70 and 130 cm. The ERT tests took place on June 1st 2012, April 1st, 2nd and 3rd 2014 and May 12th 2014. We used the Terrameter LS 12 channels (ABEM, Sweden) in 2012 test and the DAS-1 (Multi-Phase Technologies, United States) in 2014. Different electrode configurations and arrays were adopted for different dates (transect and grid arrays and Wenner - Schlumberger, Wenner alpha and dipole-dipole configurations). During all tests, we systematically faced technical problems, mainly related to bad electrode contact. The recorded data show values of contact resistance above 14873 Ω (our target value would be below 3000 Ω). Subsequently, we tried to improve the contact by predrilling the soil and pouring water in the electrode holes. The contact resistance improved to 14040 Ω as minimum. The same procedure with liquid mud was then tested to prevent quick percolation of the water from the electrode location. As a result, the lower contact resistance dropped to 11745 Ω. Finally, we applied about 25 litre of saline solution (CaCl2, 0.75g/L) homogeneously on the electrode grid. The minimum value of

  13. Study of early laser-induced plasma dynamics: Transient electron density gradients via Thomson scattering and Stark Broadening, and the implications on laser-induced breakdown spectroscopy measurements

    International Nuclear Information System (INIS)

    Diwakar, P.K.; Hahn, D.W.

    2008-01-01

    To further develop laser-induced breakdown spectroscopy (LIBS) as an analytical technique, it is necessary to better understand the fundamental processes and mechanisms taking place during the plasma evolution. This paper addresses the very early plasma dynamics (first 100 ns) using direct plasma imaging, light scattering, and transmission measurements from a synchronized 532-nm probe laser pulse. During the first 50 ns following breakdown, significant Thomson scattering was observed while the probe laser interacted with the laser-induced plasma. The Thomson scattering was observed to peak 15-25 ns following plasma initiation and then decay rapidly, thereby revealing the highly transient nature of the free electron density and plasma equilibrium immediately following breakdown. Such an intense free electron density gradient is suggestive of a non-equilibrium, free electron wave generated by the initial breakdown and growth processes. Additional probe beam transmission measurements and electron density measurements via Stark broadening of the 500.1-nm nitrogen ion line corroborate the Thomson scattering observations. In concert, the data support the finding of a highly transient plasma that deviates from local thermodynamic equilibrium (LTE) conditions during the first tens of nanoseconds of plasma lifetime. The implications of this early plasma transient behavior are discussed in the context of plasma-analyte interactions and the role on LIBS measurements

  14. Rapid and automated processing of bone marrow grafts without Ficoll density gradient for transplantation of cryopreserved autologous or ABO-incompatible allogeneic bone marrow.

    Science.gov (United States)

    Schanz, U; Gmür, J

    1992-12-01

    The growing number of BMTs has increased interest in safe and standardized in vitro bone marrow processing techniques. We describe our experience with a rapid automated method for the isolation of mononuclear cells (MNC) from large volumes of bone marrow using a Fenwal CS-3000 cell separator without employing density gradient materials. Forty bone marrow harvests with a mean volume of 1650 +/- 307 ml were processed. A mean of 75 +/- 34% (50 percentile range 54-94%) of the original MNCs were recovered in a volume of 200 ml with only 4 +/- 2% of the starting red blood cells (RBC). Removal of granulocytes, immature myeloid precursors and platelets proved to be sufficient to permit safe cryopreservation and successful autologous BMT (n = 25). Allogeneic BMT (n = 14, including three major ABO-incompatible) could be performed without additional manipulation. In both groups of patients timely and stable engraftment comparable to historical controls receiving Ficoll gradient processed autologous (n = 17) or unprocessed allogeneic BMT (n = 54) was observed. Moreover, 70 +/- 14% of the RBC could be recovered from the grafts. They were used for autologous RBC support of donors, rendering unnecessary autologous blood pre-donations.

  15. A Centrifugal Microfluidic Platform That Separates Whole Blood Samples into Multiple Removable Fractions Due to Several Discrete but Continuous Density Gradient Sections

    Science.gov (United States)

    Moen, Scott T.; Hatcher, Christopher L.; Singh, Anup K.

    2016-01-01

    We present a miniaturized centrifugal platform that uses density centrifugation for separation and analysis of biological components in small volume samples (~5 μL). We demonstrate the ability to enrich leukocytes for on-disk visualization via microscopy, as well as recovery of viable cells from each of the gradient partitions. In addition, we simplified the traditional Modified Wright-Giemsa staining by decreasing the time, volume, and expertise involved in the procedure. From a whole blood sample, we were able to extract 95.15% of leukocytes while excluding 99.8% of red blood cells. This platform has great potential in both medical diagnostics and research applications as it offers a simpler, automated, and inexpensive method for biological sample separation, analysis, and downstream culturing. PMID:27054764

  16. Apparent molal volumes of HMT and TATD in aqueous solutions around the temperature of maximum density of water

    International Nuclear Information System (INIS)

    Clavijo Penagos, J.A.; Blanco, L.H.

    2012-01-01

    Highlights: ►V φ for HMT and TATD in aqueous solutions around the temperature of maximum density of water are reported. ► V φ is linear in m form m = 0.025 for all the aqueous solutions investigated. ► Variation of V ¯ 2 ∞ with T obeys a second grade polynomial trend. ► The solutes are classified as structure breakers according to Hepler’s criterion. - Abstract: Apparent molal volumes V φ have been determined from density measurements for several aqueous solutions of 1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane (HMT) and 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (TATD) at T = (275.15, 275.65, 276.15, 276.65, 277.15, 277.65 and 278.15) K as function of composition. The infinite dilution partial molar volumes of solutes in aqueous solution are evaluated through extrapolation. Interactions of the solutes with water are discussed in terms of the effect of the temperature on the volumetric properties and the structure of the solutes. The results are interpreted in terms of water structure-breaking or structure forming character of the solutes.

  17. Density-Gradient Mediated Band Extraction of Leukocytes from Whole Blood Using Centrifugo-Pneumatic Siphon Valving on Centrifugal Microfluidic Discs

    Science.gov (United States)

    Kearney, Sinéad M.; Kilcawley, Niamh A.; Early, Philip L.; Glynn, Macdara T.; Ducrée, Jens

    2016-01-01

    Here we present retrieval of Peripheral Blood Mononuclear Cells by density-gradient medium based centrifugation for subsequent analysis of the leukocytes on an integrated microfluidic “Lab-on-a-Disc” cartridge. Isolation of white blood cells constitutes a critical sample preparation step for many bioassays. Centrifugo-pneumatic siphon valves are particularly suited for blood processing as they function without need of surface treatment and are ‘low-pass’, i.e., holding at high centrifugation speeds and opening upon reduction of the spin rate. Both ‘hydrostatically’ and ‘hydrodynamically’ triggered centrifugo-pneumatic siphon valving schemes are presented. Firstly, the geometry of the pneumatic chamber of hydrostatically primed centrifugo-pneumatic siphon valves is optimised to enable smooth and uniform layering of blood on top of the density-gradient medium; this feature proves to be key for efficient Peripheral Blood Mononuclear Cell extraction. A theoretical analysis of hydrostatically primed valves is also presented which determines the optimum priming pressure for the individual valves. Next, ‘dual siphon’ configurations for both hydrostatically and hydrodynamically primed centrifugo-pneumatic siphon valves are introduced; here plasma and Peripheral Blood Mononuclear Cells are extracted through a distinct siphon valve. This work represents a first step towards enabling on disc multi-parameter analysis. Finally, the efficiency of Peripheral Blood Mononuclear Cells extraction in these structures is characterised using a simplified design. A microfluidic mechanism, which we termed phase switching, is identified which affects the efficiency of Peripheral Blood Mononuclear Cell extraction. PMID:27167376

  18. Efficient enrichment of hepatic cancer stem-like cells from a primary rat HCC model via a density gradient centrifugation-centered method.

    Directory of Open Access Journals (Sweden)

    Wei-hui Liu

    Full Text Available BACKGROUND: Because few definitive markers are available for hepatic cancer stem cells (HCSCs, based on physical rather than immunochemical properties, we applied a novel method to enrich HCSCs. METHODOLOGY: After hepatic tumor cells (HTCs were first isolated from diethylinitrosamine-induced F344 rat HCC model using percoll discontinuous gradient centrifugation (PDGC and purified via differential trypsinization and differential attachment (DTDA, they were separated into four fractions using percoll continuous gradient centrifugation (PCGC and sequentially designated as fractions I-IV (FI-IV. Morphological characteristics, mRNA and protein levels of stem cell markers, proliferative abilities, induced differentiation, in vitro migratory capacities, in vitro chemo-resistant capacities, and in vivo malignant capacities were determined for the cells of each fraction. FINDINGS: As the density of cells increased, 22.18%, 11.62%, 4.73% and 61.47% of primary cultured HTCs were segregated in FI-FIV, respectively. The cells from FIII (density between 1.041 and 1.062 g/ml displayed a higher nuclear-cytoplasmic ratio and fewer organelles and expressed higher levels of stem cell markers (AFP, EpCAM and CD133 than cells from other fractions (P<0.01. Additionally, in vitro, the cells from FIII showed a greater capacity to self-renew, differentiate into mature HTCs, transit across membranes, close scratches, and carry resistance to chemotherapy than did cells from any other fraction; in vivo, injection of only 1×10(4 cells from FIII could generate tumors not only in subcutaneous tissue but also in the livers of nude mice. CONCLUSIONS: Through our novel method, HCSC-like cells were successfully enriched in FIII. This study will greatly contribute to two important areas of biological interest: CSC isolation and HCC therapy.

  19. Density and viscosity study of nicotinic acid and nicotinamide in dilute aqueous solutions at and around the temperature of the maximum density of water

    International Nuclear Information System (INIS)

    Dhondge, Sudhakar S.; Dahasahasra, Prachi N.; Paliwal, Lalitmohan J.; Deshmukh, Dinesh W.

    2014-01-01

    Highlights: • Volumetric and transport behaviour of aqueous solutions of important vitamins are reported. • Various interactions of nicotinic acid and nicotinamide with water have been reported. • The temperature dependence of interactions between solute and solvent is discussed. • The study indicates that nicotinamide is more hydrated as compared to nicotinic acid. - Abstract: In the present study, we report experimental densities (ρ) and viscosities (η) of aqueous solutions of nicotinic acid and nicotinamide within the concentration range (0 to 0.1) mol · kg −1 at T = (275.15, 277.15 and 279.15) K. These parameters are then used to obtain thermodynamic and transport functions such as apparent molar volume of solute (V ϕ ), limiting apparent molar volume of solute (V ϕ 0 ), limiting apparent molar expansivity of solute (E ϕ 0 ), coefficient of thermal expansion (α ∗ ), Jones–Dole equation viscosity A, B and D coefficients, temperature derivative of B coefficient i.e. (dB/dT) and hydration number (n H ), etc. The activation parameters of viscous flow for the binary mixtures have been determined and discussed in terms of Eyring’s transition state theory. These significant parameters are helpful to study the structure promoting or destroying tendency of solute and various interactions present in (nicotinic acid + water) and (nicotinamide + water) binary mixtures

  20. HDPE (High Density Polyethylene) pipeline and riser design in Guanabara Bay: challenges and solutions

    Energy Technology Data Exchange (ETDEWEB)

    Bomfimsilva, Carlos; Jorge, Joao Paulo Carrijo; Schmid, Dominique; Gomes, Rodrigo Klim [INTECSEA, Sao Paulo, SP (Brazil); Lima, Alexander Piraja [GDK, Salvador, BA (Brazil)

    2009-12-19

    Worldwide shipments of plastic pipes are forecasted to increase 5.2% per year since 2008, being commonly used for water supply and sewage disposal. The HDPE (High Density Polyethylene) pipes have been applied recently to deliver potable water and fire fighting water for the main pier of the LNG system in Guanabara Bay, Rio de Janeiro. The system contains three sizes of pipe outside diameter, 110 mm and 160 mm for water supply, and 500 mm for the fire fighting system. The main design challenges of the pipeline system included providing on-bottom stability, a suitable installation procedure and a proper riser design. The on-bottom stability calculations, which are quite different from the conventional steel pipelines, were developed by designing concrete blocks to be assembled on the pipeline in a required spacing to assure long term stability, knowing that plastic pipes are buoyant even in flooded conditions. The installation procedure was developed considering the lay down methodology based on surface towing technique. The riser was designed to be installed together with additional steel support structure to allow the entire underwater system to have the same plastic pipe specification up to the surface. This paper presents the main challenges that were faced during the design of the HDPE pipelines for the LNG system in Guanabara Bay, addressing the solutions and recommendations adopted for the plastic underwater pipeline system.

  1. Nonlinear electronic excitations in crystalline solids using meta-generalized gradient approximation and hybrid functional in time-dependent density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Shunsuke A. [Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8571 (Japan); Taniguchi, Yasutaka [Center for Computational Science, University of Tsukuba, Tsukuba 305-8571 (Japan); Department of Medical and General Sciences, Nihon Institute of Medical Science, 1276 Shimogawara, Moroyama-Machi, Iruma-Gun, Saitama 350-0435 (Japan); Shinohara, Yasushi [Max Planck Institute of Microstructure Physics, 06120 Halle (Germany); Yabana, Kazuhiro [Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8571 (Japan); Center for Computational Science, University of Tsukuba, Tsukuba 305-8571 (Japan)

    2015-12-14

    We develop methods to calculate electron dynamics in crystalline solids in real-time time-dependent density functional theory employing exchange-correlation potentials which reproduce band gap energies of dielectrics; a meta-generalized gradient approximation was proposed by Tran and Blaha [Phys. Rev. Lett. 102, 226401 (2009)] (TBm-BJ) and a hybrid functional was proposed by Heyd, Scuseria, and Ernzerhof [J. Chem. Phys. 118, 8207 (2003)] (HSE). In time evolution calculations employing the TB-mBJ potential, we have found it necessary to adopt the predictor-corrector step for a stable time evolution. We have developed a method to evaluate electronic excitation energy without referring to the energy functional which is unknown for the TB-mBJ potential. For the HSE functional, we have developed a method for the operation of the Fock-like term in Fourier space to facilitate efficient use of massive parallel computers equipped with graphic processing units. We compare electronic excitations in silicon and germanium induced by femtosecond laser pulses using the TB-mBJ, HSE, and a simple local density approximation (LDA). At low laser intensities, electronic excitations are found to be sensitive to the band gap energy: they are close to each other using TB-mBJ and HSE and are much smaller in LDA. At high laser intensities close to the damage threshold, electronic excitation energies do not differ much among the three cases.

  2. Concentration Dependences of the Surface Tension and Density of Solutions of Acetone-Ethanol-Water Systems at 293 K

    Science.gov (United States)

    Dadashev, R. Kh.; Dzhambulatov, R. S.; Mezhidov, V. Kh.; Elimkhanov, D. Z.

    2018-05-01

    Concentration dependences of the surface tension and density of solutions of three-component acetone-ethanol-water systems and the bounding binary systems at 273 K are studied. The molar volume, adsorption, and composition of surface layers are calculated. Experimental data and calculations show that three-component solutions are close to ideal ones. The surface tensions of these solutions are calculated using semi-empirical and theoretical equations. Theoretical equations qualitatively convey the concentration dependence of surface tension. A semi-empirical method based on the Köhler equation allows us to predict the concentration dependence of surface tension within the experimental error.

  3. Drifting solutions with elliptic symmetry for the compressible Navier-Stokes equations with density-dependent viscosity

    International Nuclear Information System (INIS)

    An, Hongli; Yuen, Manwai

    2014-01-01

    In this paper, we investigate the analytical solutions of the compressible Navier-Stokes equations with dependent-density viscosity. By using the characteristic method, we successfully obtain a class of drifting solutions with elliptic symmetry for the Navier-Stokes model wherein the velocity components are governed by a generalized Emden dynamical system. In particular, when the viscosity variables are taken the same as Yuen [M. W. Yuen, “Analytical solutions to the Navier-Stokes equations,” J. Math. Phys. 49, 113102 (2008)], our solutions constitute a generalization of that obtained by Yuen. Interestingly, numerical simulations show that the analytical solutions can be used to explain the drifting phenomena of the propagation wave like Tsunamis in oceans

  4. Comparison of soil solution speciation and diffusive gradients in thin-films measurement as an indicator of copper bioavailability to plants.

    Science.gov (United States)

    Zhao, Fang-Jie; Rooney, Corinne P; Zhang, Hao; McGrath, Steve P

    2006-03-01

    The toxicity effect concentrations (10% effective concentration [EC10] and 50% effective concentration [EC50]) of total added Cu derived from barley root elongation and tomato growth assays varied widely among 18 European soils. We investigated whether this variation could be explained by the solubility or speciation of Cu in soil solutions or the diffusive gradients in thin-films (DGT) measurement. Solubility and Cu speciation varied greatly among the soils tested. However, the EC10 and EC50 of soil solution Cu or free Cu2+ activity varied even more widely than those based on the total added Cu, indicating that solubility or soil solution speciation alone could not explain intersoil variation in Cu toxicity. Estimated EC10 and EC50 of free Cu2+ activity correlated closely and negatively with soil pH, indicating a protective effect of H+, which is consistent with the biotic ligand model concept. The DGT measurement was found to narrow the intersoil variation in EC50 considerably and to be a better predictor of plant Cu concentrations than either soil solution Cu or free Cu2+ activity. We conclude that plant bioavailability of Cu in soil depends on Cu speciation, interactions with protective ions (particularly H+), and the resupply from the solid phase, and we conclude that the DGT measurement provides a useful indicator of Cu bioavailability in soil.

  5. A straightforward method for measuring the range of apparent density of microplastics.

    Science.gov (United States)

    Li, Lingyun; Li, Mengmeng; Deng, Hua; Cai, Li; Cai, Huiwen; Yan, Beizhan; Hu, Jun; Shi, Huahong

    2018-10-15

    Density of microplastics has been regarded as the primary property that affect the distribution and bioavailability of microplastics in the water column. For measuring the density of microplastis, we developed a simple and rapid method based on density gradient solutions. In this study, we tested four solvents to make the density gradient solutions, i.e., ethanol (0.8 g/cm 3 ), ultrapure water (1.0 g/cm 3 ), saturated NaI (1.8 g/cm 3 ) and ZnCl 2 (1.8 g/cm 3 ). Density of microplastics was measured via observing the float or sink status in the density gradient solutions. We found that density gradient solutions made from ZnCl 2 had a larger uncertainty in measuring density than that from NaI, most likely due to a higher surface tension of ZnCl 2 solution. Solutions made from ethanol, ultrapure water, and NaI showed consistent density results with listed densities of commercial products, indicating that these density gradient solutions were suitable for measuring microplastics with a density range of 0.8-1.8 g/cm 3 . Copyright © 2018 Elsevier B.V. All rights reserved.

  6. New self-similar radiation-hydrodynamics solutions in the high-energy density, equilibrium diffusion limit

    International Nuclear Information System (INIS)

    Lane, Taylor K; McClarren, Ryan G

    2013-01-01

    This work presents semi-analytic solutions to a radiation-hydrodynamics problem of a radiation source driving an initially cold medium. Our solutions are in the equilibrium diffusion limit, include material motion and allow for radiation-dominated situations where the radiation energy is comparable to (or greater than) the material internal energy density. As such, this work is a generalization of the classical Marshak wave problem that assumes no material motion and that the radiation energy is negligible. Including radiation energy density in the model serves to slow down the wave propagation. The solutions provide insight into the impact of radiation energy and material motion, as well as present a novel verification test for radiation transport packages. As a verification test, the solution exercises the radiation–matter coupling terms and their v/c treatment without needing a hydrodynamics solve. An example comparison between the self-similar solution and a numerical code is given. Tables of the self-similar solutions are also provided. (paper)

  7. Calorific value of Prosopis africana and Balanites aegyptiaca wood: Relationships with tree growth, wood density and rainfall gradients in the West African Sahel

    Energy Technology Data Exchange (ETDEWEB)

    Montes, Carmen Sotelo; Weber, John C. [World Agroforestry Centre (ICRAF), Sahel Office, B.P. E 5118 Bamako (Mali); Silva, Dimas Agostinho da; Bolzon de Muniz, Graciela Ines [Universidade Federal do Parana (UFPR), Av. Lothario Meissner, 900, CEP.: 80270-170-Curitiba (Brazil); Garcia, Rosilei A. [Universidade Federal Rural do Rio de Janeiro (UFRRJ), Instituto de Florestas, Departamento de Produtos Florestais, BR 465, km 07, 23890-000, Seropedica, Rio de Janeiro (Brazil)

    2011-01-15

    Prosopis africana and Balanites aegyptiaca are native tree species in the West African Sahel and provide wood for fuel, construction and other essential products. A provenance/progeny test of each species was established at one relatively dry site in Niger, and evaluated at 13 years. Gross calorific value of the wood was determined for a random sample of trees in each test: gross CV and CVm{sup 3} = gross calorific value in MJ kg{sup -1} and MJ m{sup -3}, respectively. The major objectives were to determine if gross CV was positively correlated with wood density and tree growth, and if gross CV and/or CVm{sup 3} varied with rainfall gradients in the sample region. Provenances were grouped into a drier and more humid zone, and correlations were computed among all trees and separately in each zone. Results indicated that gross CV was not significantly correlated with density in either species. Gross CV was positively correlated with growth of P. africana (but not B. aegyptiaca) only in the drier zone. Gross CVm{sup 3} was positively correlated with growth of both species, and the correlations were stronger in the drier zone. Multiple regressions with provenance latitude, longitude and elevation indicated that provenance means for gross CV increased, in general, from the drier to the more humid zones. Regressions with gross CVm{sup 3} were not significant. Results are compared with earlier research reports from the provenance/progeny tests and with other tropical hardwood species; and practical implications are presented for tree improvement and conservation programs in the region. (author)

  8. Temperature gradient compatibility tests of some refractory metals and alloys in bismuth and bismuth--lithium solutions

    International Nuclear Information System (INIS)

    DiStefano, J.R.; Cavin, O.B.

    1976-11-01

    Quartz, T-111, and Mo thermal-convection loop tests were conducted at temperatures up to 700 0 C (100 0 C ΔT) to determine the compatibility of several refractory metals/alloys with bismuth and bismuth-lithium solutions for molten salt breeder reactor applications. Methods of evaluation included weight change measurements, metallographic examination, chemical and electron microprobe analysis, and mechanical properties tests. Molybdenum, T-111, and TA--10 percent W appear to be the most promising containment materials, while niobium and iron-based alloys are unacceptable

  9. [A thermodynamic study on bovine spermatozoa by microcalorimetry after Percoll density-gradient centrifugation - experimental probe of its utility in andrology].

    Science.gov (United States)

    Fischer, C; Scherfer-Brähler, V; Müller-Schlösser, F; Schröder-Printzen, I; Weidner, W

    2007-05-01

    Microcalorimetric measurements can be used for recording exothermic or endothermic summation effects of a great variety of biological processes. The aim of the present study was to examine the usefullness of the microcalorimetry method to characterise the biological activity of spermatozoa. The heat flow of bovine fresh sperm as well as cryosperm samples were measured after Percoll density-gradient centrifugation in a 4-channel microcalorimeter. Various calibration times, volumes of samples and sperm concentrations were tested and analysed. Sperm concentration was recorded by a computer-assisted, computer-aided software system method (CASA). Using a calibration time of 15 minutes, the heat signal of the fresh and cryosperm samples showed a characteristic peak after 39.5 min and 38.1 min (mean), respectively, with a significant correlation to sample volume and sperm concentration (p < 0.05). For obtaining the best results, a sample volume of 1 ml and a sperm concentration of more than 50 x 10 (6)/mL was used. With microcalorimetric measurements the biological activity of spermatozoa could be recorded for reproducible results, thus opening the way to an automatised ejaculate analysis in the future. More investigations are necessary to correlate microcalorimetric parameters with semen function.

  10. Clinical efficacy of a combination of Percoll continuous density gradient and swim-up techniques for semen processing in HIV-1 serodiscordant couples

    Directory of Open Access Journals (Sweden)

    Osamu Inoue

    2017-01-01

    Full Text Available To evaluate the clinical efficacy of a procedure comprising a combination of Percoll continuous density gradient and modified swim-up techniques for the removal of human immunodeficiency virus type 1 (HIV-1 from the semen of HIV-1 infected males, a total of 129 couples with an HIV-1 positive male partner and an HIV-1 negative female partner (serodiscordant couples who were treated at Keio University Hospital between January 2002 and April 2012 were examined. A total of 183 ejaculates from 129 HIV-1 infected males were processed. After swim-up, we successfully collected motile sperms at a recovery rate as high as 100.0% in cases of normozoospermia (126/126 ejaculates, oligozoospermia (6/6, and asthenozoospermia (36/36. The recovery rate of oligoasthenozoospermia was 86.7% (13/15. In processed semen only four ejaculates (4/181:2.2% showed viral nucleotide sequences consistent with those in the blood of the infected males. After using these sperms, no horizontal infections of the female patients and no vertical infections of the newborns were observed. Furthermore, no obvious adverse effects were observed in the offspring. This protocol allowed us to collect HIV-1 negative motile sperms at a high rate, even in male factor cases. We concluded that our protocol is clinically effective both for decreasing HIV-1 infections and for yielding a healthy child.

  11. Computationally simple, analytic, closed form solution of the Coulomb self-interaction problem in Kohn Sham density functional theory

    International Nuclear Information System (INIS)

    Gonis, Antonios; Daene, Markus W.; Nicholson, Don M.; Stocks, George Malcolm

    2012-01-01

    We have developed and tested in terms of atomic calculations an exact, analytic and computationally simple procedure for determining the functional derivative of the exchange energy with respect to the density in the implementation of the Kohn Sham formulation of density functional theory (KS-DFT), providing an analytic, closed-form solution of the self-interaction problem in KS-DFT. We demonstrate the efficacy of our method through ground-state calculations of the exchange potential and energy for atomic He and Be atoms, and comparisons with experiment and the results obtained within the optimized effective potential (OEP) method.

  12. Densities of L-Glutamic Acid HCl Drug in Aqueous NaCl and KCl Solutions at Different Temperatures

    Science.gov (United States)

    Ryshetti, Suresh; Raghuram, Noothi; Rani, Emmadi Jayanthi; Tangeda, Savitha Jyostna

    2016-04-01

    Densities (ρ ) of (0.01 to 0.07) {mol}{\\cdot } {kg}^{-1} L-Glutamic acid HCl (L-HCl) drug in water, and in aqueous NaCl and KCl (0.5 and 1.0) {mol}{\\cdot } {kg}^{-1} solutions have been reported as a function of temperature at T = (298.15, 303.15, 308.15, and 313.15) K and atmospheric pressure. The accurate density (ρ ) values are used to estimate the various parameters such as the apparent molar volume (V_{2,{\\upphi }}), the partial molar volume (V2^{∞}), the isobaric thermal expansion coefficient (α 2), the partial molar expansion (E2^{∞}), and Hepler's constant (partial 2V2^{∞}/partial T2)P. The Cosphere overlap model is used to understand the solute-solvent interactions in a ternary mixture (L-HCl drug + NaCl or KCl + water). Hepler's constant (partial 2V2^{∞}/partial T2)_P is utilized to interpret the structure-making or -breaking ability of L-HCl drug in aqueous NaCl and KCl solutions, and the results are inferred that L-HCl drug acts as a structure maker, i.e., kosmotrope in aqueous NaCl solutions and performs as a structure breaker, i.e., chaotrope in aqueous KCl solutions.

  13. Semi-exact solution of elastic non-uniform thickness and density rotating disks by homotopy perturbation and Adomian's decomposition methods. Part I: Elastic solution

    International Nuclear Information System (INIS)

    Hojjati, M.H.; Jafari, S.

    2008-01-01

    In this work, two powerful analytical methods, namely homotopy perturbation method (HPM) and Adomian's decomposition method (ADM), are introduced to obtain distributions of stresses and displacements in rotating annular elastic disks with uniform and variable thicknesses and densities. The results obtained by these methods are then compared with the verified variational iteration method (VIM) solution. He's homotopy perturbation method which does not require a 'small parameter' has been used and a homotopy with an imbedding parameter p element of [0,1] is constructed. The method takes the full advantage of the traditional perturbation methods and the homotopy techniques and yields a very rapid convergence of the solution. Adomian's decomposition method is an iterative method which provides analytical approximate solutions in the form of an infinite power series for nonlinear equations without linearization, perturbation or discretization. Variational iteration method, on the other hand, is based on the incorporation of a general Lagrange multiplier in the construction of correction functional for the equation. This study demonstrates the ability of the methods for the solution of those complicated rotating disk cases with either no or difficult to find fairly exact solutions without the need to use commercial finite element analysis software. The comparison among these methods shows that although the numerical results are almost the same, HPM is much easier, more convenient and efficient than ADM and VIM

  14. (p,V{sub m},T,x) measurements for aqueous LiNO{sub 3} solutions[Density; Concentration; Electrolyte solutions; Equation of state; Lithium nitrate; Saturated density; Saturated pressure; Temperature; Water

    Energy Technology Data Exchange (ETDEWEB)

    Abdulagatov, I.M. E-mail: ilmutdin@boulder.nist.govmangur@datacom.ru; Azizov, N.D. E-mail: Nazim_Azizov@yahoo.com

    2004-01-01

    (p,V{sub m},T,x) properties of four aqueous LiNO{sub 3} solutions (0.181, 0.526, 0.963, and 1.728) mol {center_dot} kg{sup -1} H{sub 2}O were measured in the liquid phase with a constant-volume piezometer immersed in a precision liquid thermostat. Measurements were made for 10 isotherms between (298 and 573) K. The range of pressure was from (2 to 40) MPa. The total uncertainty of density, pressure, temperature, and concentration measurements were estimated to be less than 0.06 %, 0.05 %, 10 mK, and 0.014 %, respectively. The values of saturated density were determined by extrapolating experimental (p,{rho}) data to the vapor-pressure at fixed temperature and composition using an interpolating equation. A polynomial type of equation of state for specific volume was obtained as a function of temperature, pressure, and composition by a least-squares method from the experimental data. The average absolute deviation (AAD) between measured and calculated values from this polynomial equation for density was 0.02 %. Measured values of solution density were compared with values calculated from Pitzer's ion-interaction equation. The agreement is within (0.2 to 0.4) % depending of concentration range.

  15. $L_{0}$ Gradient Projection.

    Science.gov (United States)

    Ono, Shunsuke

    2017-04-01

    Minimizing L 0 gradient, the number of the non-zero gradients of an image, together with a quadratic data-fidelity to an input image has been recognized as a powerful edge-preserving filtering method. However, the L 0 gradient minimization has an inherent difficulty: a user-given parameter controlling the degree of flatness does not have a physical meaning since the parameter just balances the relative importance of the L 0 gradient term to the quadratic data-fidelity term. As a result, the setting of the parameter is a troublesome work in the L 0 gradient minimization. To circumvent the difficulty, we propose a new edge-preserving filtering method with a novel use of the L 0 gradient. Our method is formulated as the minimization of the quadratic data-fidelity subject to the hard constraint that the L 0 gradient is less than a user-given parameter α . This strategy is much more intuitive than the L 0 gradient minimization because the parameter α has a clear meaning: the L 0 gradient value of the output image itself, so that one can directly impose a desired degree of flatness by α . We also provide an efficient algorithm based on the so-called alternating direction method of multipliers for computing an approximate solution of the nonconvex problem, where we decompose it into two subproblems and derive closed-form solutions to them. The advantages of our method are demonstrated through extensive experiments.

  16. Temperature-assisted solute focusing with sequential trap/release zones in isocratic and gradient capillary liquid chromatography: Simulation and experiment

    Science.gov (United States)

    Groskreutz, Stephen R.; Weber, Stephen G.

    2016-01-01

    In this work we characterize the development of a method to enhance temperature-assisted on-column solute focusing (TASF) called two-stage TASF. A new instrument was built to implement two-stage TASF consisting of a linear array of three independent, electronically controlled Peltier devices (thermoelectric coolers, TECs). Samples are loaded onto the chromatographic column with the first two TECs, TEC A and TEC B, cold. In the two-stage TASF approach TECs A and B are cooled during injection. TEC A is heated following sample loading. At some time following TEC A’s temperature rise, TEC B’s temperature is increased from the focusing temperature to a temperature matching that of TEC A. Injection bands are focused twice on-column, first on the initial TEC, e.g. single-stage TASF, then refocused on the second, cold TEC. Our goal is to understand the two-stage TASF approach in detail. We have developed a simple yet powerful digital simulation procedure to model the effect of changing temperature in the two focusing zones on retention, band shape and band spreading. The simulation can predict experimental chromatograms resulting from spatial and temporal temperature programs in combination with isocratic and solvent gradient elution. To assess the two-stage TASF method and the accuracy of the simulation well characterized solutes are needed. Thus, retention factors were measured at six temperatures (25–75 °C) at each of twelve mobile phases compositions (0.05–0.60 acetonitrile/water) for homologs of n-alkyl hydroxylbenzoate esters and n-alkyl p-hydroxyphenones. Simulations accurately reflect experimental results in showing that the two-stage approach improves separation quality. For example, two-stage TASF increased sensitivity for a low retention solute by a factor of 2.2 relative to single-stage TASF and 8.8 relative to isothermal conditions using isocratic elution. Gradient elution results for two-stage TASF were more encouraging. Application of two-stage TASF

  17. Particle and solute migration in porous media. Modeling of simultaneous transport of clay particles and radionuclides in a salinity gradient; Migration de particules et de solutes en milieu poreux. Modelisation du transport simultane de particules argileuses et de radionucleides sous l`effet d`un gradient de salinite

    Energy Technology Data Exchange (ETDEWEB)

    Faure, M H

    1994-03-01

    Understanding the mechanisms which control the transient transport of particles and radionuclides in natural and artificial porous media is a key problem for the assessment of safety of radioactive waste disposals. An experimental study has been performed to characterize the clayey particle mobility in porous media: a laboratory- made column, packed with an unconsolidated sand bentonite (5% weight) sample, is flushed with a salt solution. An original method of salinity gradient allowed us to show and to quantify some typical behaviours of this system: threshold effects in the peptization of particles, creation of preferential pathways, formation of immobile water zones induce solute-transfer limitation. The mathematical modelling accounts for a phenomenological law, where the distribution of particles between the stagnant water zone and the porous medium is a function of sodium chloride concentration. This distribution function is associated with a radionuclide adsorption model, and is included in a convective dispersive transport model with stagnant water zones. It allowed us to simulate the particle and solute transport when the salt environment is modified. The complete model has been validated with experiments involving cesium, calcium and neptunium in a sodium chloride gradient. (author). refs., figs., tabs.

  18. The effect of random matter density perturbations on the large mixing angle solution to the solar neutrino problem

    Science.gov (United States)

    Guzzo, M. M.; Holanda, P. C.; Reggiani, N.

    2003-08-01

    The neutrino energy spectrum observed in KamLAND is compatible with the predictions based on the Large Mixing Angle realization of the MSW (Mikheyev-Smirnov-Wolfenstein) mechanism, which provides the best solution to the solar neutrino anomaly. From the agreement between solar neutrino data and KamLAND observations, we can obtain the best fit values of the mixing angle and square difference mass. When doing the fitting of the MSW predictions to the solar neutrino data, it is assumed the solar matter do not have any kind of perturbations, that is, it is assumed the the matter density monothonically decays from the center to the surface of the Sun. There are reasons to believe, nevertheless, that the solar matter density fluctuates around the equilibrium profile. In this work, we analysed the effect on the Large Mixing Angle parameters when the density matter randomically fluctuates around the equilibrium profile, solving the evolution equation in this case. We find that, in the presence of these density perturbations, the best fit values of the mixing angle and the square difference mass assume smaller values, compared with the values obtained for the standard Large Mixing Angle Solution without noise. Considering this effect of the random perturbations, the lowest island of allowed region for KamLAND spectral data in the parameter space must be considered and we call it very-low region.

  19. Ultrasonic speed, densities and viscosities of xylitol in water and in aqueous tyrosine and phenylalanine solutions at different temperatures

    Science.gov (United States)

    Ali, A.; Bidhuri, P.; Uzair, S.

    2014-07-01

    Ultrasonic speed u, densities ρ and viscosities η of xylitol in water and in 0.001 m aqueous l-tyrosine (Tyr) and l-phenylalanine (Phe) have been measured at different temperatures. From the density and ultrasonic speed measurements apparent molar isentropic compression κ_{φ}, apparent molar isentropic compressions at infinite dilution κ_{{S,φ}}0 , experimental slope S K , hydration number n H , transfer partial molar isentropic compressibility Δ_{tr} κ_{{S,φ}}0 of xylitol from water to aqueous Tyr and Phe have been obtained. From the viscosity data, B-coefficient and B-coefficient of transfer Δ tr B of xylitol from water to aqueous Phe and Tyr at different temperatures have also been estimated. Gibbs free energies of activation of viscous flow per mole of solvent Δ μ 1 0# and per mole of solute Δ μ 2 0# have been calculated by using Feakins transition state theory for the studied systems. The calculated parameters have been interpreted in terms of solute-solute and solute-solvent interactions and hydration behavior of xylitol.

  20. Analytic solution of the BCS gap equation with a logarithmic singularity in the density of states

    International Nuclear Information System (INIS)

    Bhardwaj, A.; Muthu, S.K.

    1999-01-01

    The Bardeen-Cooper-Schrieffer (BCS) gap equation is solved analytically for a density of states function with a logarithmic singularity. It is an extension of our earlier work where we had assumed a constant density of states. We continue to work in the weak-coupling limit and consider both phononic and non-phononic pairings. Expressions are obtained for T c , Δ 0 (the gap at T=0), and the jump in the electronic specific heat at T=T c . We also calculate the isotope exponent and show that it is possible to reproduce the broad features of the experimental results in this framework. (orig.)

  1. Sperm quality after swim up and density gradient centrifugation sperm preparation with supplementation of alpha lipoic acid (ALA): A preliminary study

    Science.gov (United States)

    Lestari, Silvia W.; Lestari, Sarah H.; Pujianto, Dwi A.

    2018-02-01

    Intra uterine insemination (IUI) as one of the treatment for infertility, persists low success rate. A factor that contributes to the unsuccessful of IUI is sperm preparation, performed through Swim-up (SU) and Density Gradient Centrifugation (DGC) methods. Furthermore, studies have shown that Alpha Lipoic Acid (ALA) is a potent antioxidant that could enhance the sperm motility and protect the DNA integrity of the sperm [1]. This study is aimed to re-evaluate the efficiency of the DGC and SU methods in selecting sperm before being transferred for IUI by the supplementation of ALA based on the sperm DNA integrity. Semen samples were obtained from 13 men from partners of women who are infertile (normozoospermia) and underwent IUI. Semen analysis based on the guideline of World Health Organization (WHO) 2010 was performed to measure the sperm motility and velocity, before and after sperm preparation. Then, samples were incubated with Alpha Lipoic Acid (ALA) in 0.625 mg (ALA 1), 1.25 mg (ALA 2) and 2.5 mg (ALA 3). The Sperm Chromatin Dispersion (SCD) test was performed to evaluate the sperm DNA Fragmentation Index (DFI). The percentage of motile sperm was higher in prepared sperm (post-DGC and post-SU) than in whole semen. Furthermore, the percentage of motile sperm was higher in post-DGC compared to post-SU. The level of DFI after the supplementation of ALA was decreased in prepared sperm compared to the whole semen. ALA was proved capable to select the better sperm quality with decreased sperm DNA fragmentation of prepared sperm in the all of DFI category.

  2. Effects of gradient encoding and number of signal averages on fractional anisotropy and fiber density index in vivo at 1.5 tesla.

    Science.gov (United States)

    Widjaja, E; Mahmoodabadi, S Z; Rea, D; Moineddin, R; Vidarsson, L; Nilsson, D

    2009-01-01

    Tensor estimation can be improved by increasing the number of gradient directions (NGD) or increasing the number of signal averages (NSA), but at a cost of increased scan time. To evaluate the effects of NGD and NSA on fractional anisotropy (FA) and fiber density index (FDI) in vivo. Ten healthy adults were scanned on a 1.5T system using nine different diffusion tensor sequences. Combinations of 7 NGD, 15 NGD, and 25 NGD with 1 NSA, 2 NSA, and 3 NSA were used, with scan times varying from 2 to 18 min. Regions of interest (ROIs) were placed in the internal capsules, middle cerebellar peduncles, and splenium of the corpus callosum, and FA and FDI were calculated. Analysis of variance was used to assess whether there was a difference in FA and FDI of different combinations of NGD and NSA. There was no significant difference in FA of different combinations of NGD and NSA of the ROIs (P>0.005). There was a significant difference in FDI between 7 NGD/1 NSA and 25 NGD/3 NSA in all three ROIs (PNSA, 25 NGD/1 NSA, and 25 NGD/2 NSA and 25 NGD/3 NSA in all ROIs (P>0.005). We have not found any significant difference in FA with varying NGD and NSA in vivo in areas with relatively high anisotropy. However, lower NGD resulted in reduced FDI in vivo. With larger NGD, NSA has less influence on FDI. The optimal sequence among the nine sequences tested with the shortest scan time was 25 NGD/1 NSA.

  3. Influence of the current density on the electrochemical treatment of concentrated 1-butyl-3-methylimidazolium chloride solutions on diamond electrodes.

    Science.gov (United States)

    Marcionilio, Suzana M L de Oliveira; Alves, Gisele M; E Silva, Rachel B Góes; Marques, Pablo J Lima; Maia, Poliana D; Neto, Brenno A D; Linares, José J

    2016-10-01

    This paper focuses on the influence of the current density treatment of a concentrated 1-butyl-3-methylimidazolium chloride (BMImCl) solution on an electrochemical reactor with a boron-doped diamond (BDD) anode. The decrease in the total organic carbon (TOC) and the BMImCl concentration demonstrate the capability of BDD in oxidizing ionic liquids (ILs) and further mineralizing (to CO2 and NO3 (-)) more rapidly at higher current densities in spite of the reduced current efficiency of the process. Moreover, the presence of Cl(-) led to the formation of oxychlorinated anions (mostly ClO3 (-) and ClO4 (-)) and, in combination with the ammonia generated in the cathode from the nitrate reduction, chloramines, more intensely at higher current density. Finally, the analysis of the intermediates formed revealed no apparent influence of the current density on the BMImCl degradation mechanism. The current density presents therefore a complex influence on the IL treatment process that is discussed throughout this paper.

  4. Observed relationships between wood density and solution uptake during pressure treatment

    Science.gov (United States)

    Steve Halverson; Stan Lebow

    2011-01-01

    A better understanding of the relationship between wood properties and solution uptake during pressure treatment could lead to improvements in treatment quality and more efficient use of preservatives. In this study several years of treatment data representing a range of wood species, charge conditions and preservative formulations were analyzed to evaluate the...

  5. Sourceless formation evaluation. An LWD solution providing density and neutron measurements without the use of radioisotopes

    Energy Technology Data Exchange (ETDEWEB)

    Griffiths, R.; Reichel, N. [Schlumberger, Sungai Buloh (Malaysia)

    2013-08-01

    For many years the industry has been searching for a way to eliminate the logistical difficulties and risk associated with deployment of radioisotopes for formation evaluation. The traditional gamma-gamma density (GGD) measurement uses the scattering of 662-keV gamma rays from a 137Cs radioisotopic source, with a 30.17-year half-life, to determine formation density. The traditional neutron measurement uses an Am-Be source emitting neutrons with an energy around 4 MeV, with a half-life of 432 years. Both these radioisotopic sources pose health, security, and environmental risks. Pulsed-neutron generators have been used in the industry for several decades in wireline tools and more recently in logging-while-drilling tools. These generators produce 14-MeV neutrons, many of which interact with the nuclei in the formation. Elastic collisions allow a neutron porosity measurement to be derived, which has been available to the industry since 2005. Inelastic interactions are typically followed by the emission of a variety of high-energy gamma rays. Similar to the case of the GGD measurement, the transport and attenuation of these gamma rays is a strong function of the formation density. However, the gamma-ray source is now distributed over a volume within the formation, where gamma rays have been induced by neutron interactions and the source can no longer be considered to be a point as in the case of a radioisotopic source. In addition, the extent of the induced source region depends on the transport of the fast neutrons from the source to the point of gamma-ray production. Even though the physics is more complex, it is possible to measure the formation density if the fast neutron transport is taken into account when deriving the density answer. This paper briefly reviews the physics underlying the sourceless neutron porosity and recently introduced neutron-gamma density (SNGD) measurement, demonstrates how they can be used in traditional workflows and illustrates their

  6. Improving density functional tight binding predictions of free energy surfaces for peptide condensation reactions in solution

    Science.gov (United States)

    Kroonblawd, Matthew; Goldman, Nir

    First principles molecular dynamics using highly accurate density functional theory (DFT) is a common tool for predicting chemistry, but the accessible time and space scales are often orders of magnitude beyond the resolution of experiments. Semi-empirical methods such as density functional tight binding (DFTB) offer up to a thousand-fold reduction in required CPU hours and can approach experimental scales. However, standard DFTB parameter sets lack good transferability and calibration for a particular system is usually necessary. Force matching the pairwise repulsive energy term in DFTB to short DFT trajectories can improve the former's accuracy for chemistry that is fast relative to DFT simulation times (Contract DE-AC52-07NA27344.

  7. Improving Density Functional Tight Binding Predictions of Free Energy Surfaces for Slow Chemical Reactions in Solution

    Science.gov (United States)

    Kroonblawd, Matthew; Goldman, Nir

    2017-06-01

    First principles molecular dynamics using highly accurate density functional theory (DFT) is a common tool for predicting chemistry, but the accessible time and space scales are often orders of magnitude beyond the resolution of experiments. Semi-empirical methods such as density functional tight binding (DFTB) offer up to a thousand-fold reduction in required CPU hours and can approach experimental scales. However, standard DFTB parameter sets lack good transferability and calibration for a particular system is usually necessary. Force matching the pairwise repulsive energy term in DFTB to short DFT trajectories can improve the former's accuracy for reactions that are fast relative to DFT simulation times (Contract DE-AC52-07NA27344.

  8. Conformations of polyelectrolyte macromolecules with different charge density in solutions of different ionic strengths

    International Nuclear Information System (INIS)

    Dommes, O A; Okatova, O V; Pavlov, G M

    2016-01-01

    Studies of charged polymer chains are interesting in both fundamental and applied aspects. Especially, polyelectrolytes attract huge attention of researchers due to their ability to form interpolymer complexes with synthetic and biopolymers. The study was carried out on the fractions of hydrophilic copolymers of N-methyl-N-vinyl acetamide and N-methyl-N-vinyl amine hydrochloride of different degrees of polymerization and of different charge density using methods of molecular hydrodynamics. Hydrodynamic and conformational characteristics as well as molar masses of isolated molecules were estimated. In addition, the intrinsic viscosity of fractions was studied at the extreme ionic strengths - in distilled water (∼10 -6 M) and in 6M NaCl. Scaling relations for intrinsic viscosity, sedimentation and translational diffusion coefficients with molar mass were obtained. Conformational behavior of macromolecules with different linear charge density was compared. (paper)

  9. Reducing the Density and Number of Tobacco Retailers: Policy Solutions and Legal Issues.

    Science.gov (United States)

    Ackerman, Amy; Etow, Alexis; Bartel, Sara; Ribisl, Kurt M

    2017-02-01

    Because higher density of tobacco retailers is associated with greater tobacco use, U.S. communities seek ways to reduce the density and number of tobacco retailers. This approach can reduce the concentration of tobacco retailers in poorer communities, limit youth exposure to tobacco advertising, and prevent misleading associations between tobacco and health messaging. Communities can reduce the density and number of tobacco retailers by imposing minimum distance requirements between existing retailers, capping the number of retailers in a given geographic area, establishing a maximum number of retailers proportional to population size, and prohibiting sales at certain types of establishments, such as pharmacies, or within a certain distance of locations serving youth. Local governments use direct regulation, licensing, or zoning laws to enact these changes. We analyze each approach under U.S. constitutional law to assist communities in selecting and implementing one or more of these methods. There are few published legal opinions that address these strategies in the context of tobacco control. But potential constitutional challenges include violations of the Takings Clause of the Fifth Amendment, which protects property owners from onerous government regulations, and under the Fourteenth Amendment's Equal Protection and Due Process Clauses, which protect business owners from arbitrary or unreasonable regulations that do not further a legitimate government interest. Because there is an evidentiary basis linking the density of tobacco retailers to smoking rates in a community, courts are likely to reject constitutional challenges to carefully crafted laws that reduce the number of tobacco retailers. Our review of the relevant constitutional issues confirms that local governments have the authority to utilize laws and policies to reduce the density and number of tobacco retailers in their communities, given existing public health data. The analysis guides policy

  10. Characterization of swollen structure of high-density polyelectrolyte brushes in salt solution by neutron reflectivity

    Energy Technology Data Exchange (ETDEWEB)

    Kobayashi, Motoyasu; Takahara, Atsushi [Institute for Materials Chemistry and Engineering, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395 (Japan); Terayama, Yuki [Graduate School of Engineering, Kyushu University (Japan); Hino, Masahiro [Reactor Research Institute, Kyoto University (Japan); Ishihara, Kazuhiko, E-mail: takahara@cstf.kyushu-u.ac.j [Graduate School of Engineering, University of Tokyo (Japan)

    2009-08-01

    Zwitterionic and cationic polyelectrolyte brushes on quartz substrate were prepared by surface-initiated atom transfer radical polymerization of 2-(methacryloyloxy)ethyl phosphorylcholine (MPC) and 2-(methacryloyloxy)ethyltrimethylammonium chloride (METAC), respectively. The effects of ionic strength on brush structure and surface properties of densely grafted polyelectrolyte brushes were analysed by neutron reflectivity (NR) measurements. NR at poly(METAC)/D{sub 2}O and poly(MPC)/D{sub 2}O interface revealed that the grafted polymer chains were fairly extended from the substrate surface, while the thickness reduction of poly(METAC) brush was observed in 5.6 M NaCl/D{sub 2}O solution due to the screening of the repulsive interaction between polycations by hydrated salt ions. Interestingly, no structural change was observed in poly(MPC) brush even in a salt solution probably due to the unique interaction properties of phosphorylcholine units.

  11. Nonsimilar Solution for Shock Waves in a Rotational Axisymmetric Perfect Gas with a Magnetic Field and Exponentially Varying Density

    Science.gov (United States)

    Nath, G.; Sinha, A. K.

    2017-01-01

    The propagation of a cylindrical shock wave in an ideal gas in the presence of a constant azimuthal magnetic field with consideration for the axisymmetric rotational effects is investigated. The ambient medium is assumed to have the radial, axial, and azimuthal velocity components. The fluid velocities and density of the ambient medium are assumed to vary according to an exponential law. Nonsimilar solutions are obtained by taking into account the vorticity vector and its components. The dependences of the characteristics of the problem on the Alfven-Mach number and time are obtained. It is shown that the presence of a magnetic field has a decaying effect on the shock wave. The pressure and density are shown to vanish at the inner surface (piston), and hence a vacuum forms at the line of symmetry.

  12. Electronic Excitations in Solution: The Interplay between State Specific Approaches and a Time-Dependent Density Functional Theory Description.

    Science.gov (United States)

    Guido, Ciro A; Jacquemin, Denis; Adamo, Carlo; Mennucci, Benedetta

    2015-12-08

    We critically analyze the performances of continuum solvation models when coupled to time-dependent density functional theory (TD-DFT) to predict solvent effects on both absorption and emission energies of chromophores in solution. Different polarization schemes of the polarizable continuum model (PCM), such as linear response (LR) and three different state specific (SS) approaches, are considered and compared. We show the necessity of introducing a SS model in cases where large electron density rearrangements are involved in the excitations, such as charge-transfer transitions in both twisted and quadrupolar compounds, and underline the very delicate interplay between the selected polarization method and the chosen exchange-correlation functional. This interplay originates in the different descriptions of the transition and ground/excited state multipolar moments by the different functionals. As a result, the choice of both the DFT functional and the solvent polarization scheme has to be consistent with the nature of the studied electronic excitation.

  13. Density, viscosity, and N2O solubility of aqueous amino acid salt and amine amino acid salt solutions

    International Nuclear Information System (INIS)

    Aronu, Ugochukwu E.; Hartono, Ardi; Svendsen, Hallvard F.

    2012-01-01

    Highlights: ► Density of amino acid salt and amine amino acid salt. ► Viscosity of amino acid salt and amine amino acid salt. ► Henry’s law constant/N 2 O solubility of amino acid salt and amine amino acid salt. ► Schumpe model. Correlations for density, viscosity, and N 2 O solubility. - Abstract: Physicochemical properties of aqueous amino acid salt (AAS), potassium salt of sarcosine (KSAR) and aqueous amine amino acid salt (AAAS), 3-(methylamino)propylamine/sarcosine (SARMAPA) have been studied. Densities of KSAR were measured for sarcosine mole fraction 0.02 to 0.25 for temperature range 298.15 K to 353.15 K, the viscosities were measured for 0.02 to 0.10 mole fraction sarcosine (293.15 K to 343.15 K) while the N 2 O solubilities were measured from 0.02 to 0.10 mole fraction sarcosine solutions (298.15 K to 363.15 K). Densities of SARMAPA were measured for sarcosine mole fraction 0.02 to 0.23 for temperature range (298.15 K to 353.15 K), viscosities were measured for 0.02 to 0.16 mole fraction sarcosine (293.15 K to 343.15 K) while the N 2 O solubilities were measured from 0.02 to 0.16 mole fraction sarcosine solutions (298.15 K to 343.15 K). Experimental results were correlated well with empirical correlations and N 2 O solubility results for KSAR were predicted adequately by a Schumpe model. The solubilities of N 2 O in AAS and AAAS are significantly lower than values for amines. The solubilities vary as: amine > AAAS > AAS.

  14. One-Photon Absorption Properties from a Hybrid Polarizable Density Embedding/Complex Polarization Propagator Approach for Polarizable Solutions

    DEFF Research Database (Denmark)

    Hršak, Dalibor; Nørby, Morten Steen; Coriani, Sonia

    2018-01-01

    We present a formulation of the polarizable density embedding (PDE) method in combination with the complex polarization propagator (CPP) method for the calculation of absorption spectra of molecules in solutions. The method is particularly useful for the calculation of near-edge X-ray absorption...... fine structure (NEXAFS) spectra. We compare the performance of PDE-CPP with the previously formulated polarizable embedding (PE)-CPP model for the calculation of the NEXAFS spectra of adenine, formamide, glycine, and adenosine triphosphate (ATP) in water at the carbon and nitrogen K-edges, as well...

  15. Sperm Na+, K+-ATPase and Ca2+-ATPase activity: A preliminary study of comparison of swim up and density gradient centrifugation methods for sperm preparation

    Science.gov (United States)

    Lestari, Silvia W.; Larasati, Manggiasih D.; Asmarinah, Mansur, Indra G.

    2018-02-01

    As one of the treatment for infertility, the success rate of Intrauterine Insemination (IUI) is still relatively low. Several sperm preparation methods, swim-up (SU) and the density-gradient centrifugation (DGC) are frequently used to select for better sperm quality which also contribute to IUI failure. Sperm selection methods mainly separate the motile from the immotile sperm, eliminating the seminal plasma. The sperm motility involves the structure and function of sperm membrane in maintaining the balance of ion transport system which is regulated by the Na+, K+-ATPase, and Ca2+-ATPase enzymes. This study aims to re-evaluate the efficiency of these methods in selecting for sperm before being used for IUI and based the evaluation on sperm Na+,K+-ATPase and Ca2+-ATPase activities. Fourteen infertile men from couples who underwent IUI were involved in this study. The SU and DGC methods were used for the sperm preparation. Semen analysis was performed based on the reference value of World Health Organization (WHO) 2010. After isolating the membrane fraction of sperms, the Na+, K+-ATPase activity was defined as the difference in the released inorganic phosphate (Pi) with and without the existence of 10 mM ouabain in the reaction, while the Ca2+-ATPase was determined as the difference in Pi contents with and without the existence of 55 µm CaCl2. The prepared sperm demonstrated a higher percentage of motile sperm compared to sperm from the whole semen. Additionally, the percentage of motile sperm of post-DGC showed higher result than the sperm from post-SU. The velocity of sperm showed similar pattern with the percentage of motile sperm, in which the velocity of prepared sperm was higher than the sperm from whole semen. Furthermore, the sperm velocity of post-DGC was higher compared to the sperm from post-SU. The Na+, K+-ATPase activity of prepared sperm was higher compared to whole semen, whereas Na+, K+-ATPase activity in the post DGC was higher than post SU. The Ca2

  16. Fitness function and nonunique solutions in x-ray reflectivity curve fitting: crosserror between surface roughness and mass density

    International Nuclear Information System (INIS)

    Tiilikainen, J; Bosund, V; Mattila, M; Hakkarainen, T; Sormunen, J; Lipsanen, H

    2007-01-01

    Nonunique solutions of the x-ray reflectivity (XRR) curve fitting problem were studied by modelling layer structures with neural networks and designing a fitness function to handle the nonidealities of measurements. Modelled atomic-layer-deposited aluminium oxide film structures were used in the simulations to calculate XRR curves based on Parratt's formalism. This approach reduced the dimensionality of the parameter space and allowed the use of fitness landscapes in the study of nonunique solutions. Fitness landscapes, where the height in a map represents the fitness value as a function of the process parameters, revealed tracks where the local fitness optima lie. The tracks were projected on the physical parameter space thus allowing the construction of the crosserror equation between weakly determined parameters, i.e. between the mass density and the surface roughness of a layer. The equation gives the minimum error for the other parameters which is a consequence of the nonuniqueness of the solution if noise is present. Furthermore, the existence of a possible unique solution in a certain parameter range was found to be dependent on the layer thickness and the signal-to-noise ratio

  17. Quaternion Gradient and Hessian

    OpenAIRE

    Xu, Dongpo; Mandic, Danilo P.

    2014-01-01

    The optimization of real scalar functions of quaternion variables, such as the mean square error or array output power, underpins many practical applications. Solutions typically require the calculation of the gradient and Hessian. However, real functions of quaternion variables are essentially nonanalytic, which are prohibitive to the development of quaternion-valued learning systems. To address this issue, we propose new definitions of quaternion gradient and Hessian, based on the novel gen...

  18. The study on density change of carbon dioxide seawater solution at high pressure and low temperature

    International Nuclear Information System (INIS)

    Song, Y.; Chen, B.; Nishio, M.; Akai, M.

    2005-01-01

    It has been widely considered that the global warming, induced by the increasing concentration of carbon dioxide and other greenhouse gases in the atmosphere, is an environmental task affecting the world economic development. In order to mitigate the concentration of CO 2 in the atmosphere, the sequestration of carbon dioxide into the ocean had been investigated theoretically and experimentally over the last 10 years. In addition to ocean dynamics, ocean geological, and biological information on large space and long time scales, the physical-chemistry properties of seawater-carbon dioxide system at high pressure (P>5.0 MPa) and lower temperature (274.15 K 3 , which is approximately same with that of carbon dioxide freshwater solution, the slope of which is 0.275 g/cm 3

  19. Scattering of lower-hybrid waves by drift-wave density fluctuations: solutions of the radiative transfer equation

    International Nuclear Information System (INIS)

    Andrews, P.L.; Perkins, F.W.

    1983-01-01

    The investigation of the scattering of lower-hybrid waves by density fluctuations arising from drift waves in tokamaks is distinguished by the presence in the wave equation of a large, random, derivative-coupling term. The propagation of the lower-hybrid waves is well represented by a radiative transfer equation when the scale size of the density fluctuations is small compared to the overall plasma size. The radiative transfer equation is solved in two limits: first, the forward scattering limit, where the scale size of density fluctuations is large compared to the lower-hybrid perpendicular wavelength, and second, the large-angle scattering limit, where this inequality is reversed. The most important features of these solutions are well represented by analytical formulas derived by simple arguments. Based on conventional estimates for density fluctuations arising from drift waves and a parabolic density profile, the optical depth tau for scattering through a significant angle, is given by tauroughly-equal(2/N 2 /sub parallel/) (#betta#/sub p/i0/#betta#) 2 (m/sub e/c 2 /2T/sub i/)/sup 1/2/ [c/α(Ω/sub i/Ω/sub e/)/sup 1/2/ ], where #betta#/sub p/i0 is the central ion plasma frequency and T/sub i/ denotes the ion temperature near the edge of the plasma. Most of the scattering occurs near the surface. The transmission through the scattering region scales as tau - 1 and the emerging intensity has an angular spectrum proportional to cos theta, where sin theta = k/sub perpendicular/xB/sub p//(k/sub perpendicular/B/sub p/), and B/sub p/ is the poloidal field

  20. Improvements in the critical current densities of Nb3Sn by solid solution additions of Sn in Nb

    International Nuclear Information System (INIS)

    Luhman, T.; Suenaga, M.

    1975-01-01

    The effectiveness of solid solution additions of Sn to Nb in improving the superconducting properties of diffusion processed Nb 3 Sn conductors was examined. It was found that an increase in the superconducting critical current density, Jc, as function of layer thickness (d) may be obtained for thick Nb 3 Sn layers by solid solution additions of Sn in Nb. A large increase in J/sub c/ (d) is also achieved by increasing the Sn content in the bronze matrix material. In addition to uses of this material in magnet fabrications a potential application of these improved J/sub c/(d) values may lie in the use of Nb 3 Sn in power transmission lines. Here, a high superconducting critical current density is necessary throughout the material to carry the increased current during fault conditions. The magnetic field dependence of J/sub c/ is a function of alloy content but the alloying changes studied here do not increase the high field critical current capability of Nb 3 Sn. (auth)

  1. Preliminary evaluation of uranium deposits. A geostatistical study of drilling density in Wyoming solution fronts

    International Nuclear Information System (INIS)

    Sandefur, R.L.; Grant, D.C.

    1976-01-01

    Studies of a roll-front uranium deposit in Shirley Basin Wyoming indicate that preliminary evaluation of the reserve potential of an ore body is possible with less drilling than currently practiced in industry. Estimating ore reserves from sparse drilling is difficult because most reserve calculation techniques do not give the accuracy of the estimate. A study of several deposits with a variety of drilling densities shows that geostatistics consistently provides a method of assessing the accuracy of an ore reserve estimate. Geostatistics provides the geologist with an additional descriptive technique - one which is valuable in the economic assessment of a uranium deposit. Closely spaced drilling on past properties provides both geological and geometric insight into the occurrence of uranium in roll-front type deposits. Just as the geological insight assists in locating new ore bodies and siting preferential drill locations, the geometric insight can be applied mathematically to evaluate the accuracy of a new ore reserve estimate. By expressing the geometry in numerical terms, geostatistics extracts important geological characteristics and uses this information to aid in describing the unknown characteristics of a property. (author)

  2. Particles and solutes migration in porous medium : radionuclides and clayey particles simultaneous transport under the effect of a salinity gradient; Migration de particules et de solutes en milieu poreux : modelisation du transport simultane de particules argileuses et de radionucleides sous l`effet d`un gradient de salinite

    Energy Technology Data Exchange (ETDEWEB)

    Faure, M H

    1994-03-29

    This work deals with the radiation protection of high-level and long-life radioactive waste storages. The colloids presence in ground waters can accelerate the radionuclides migration in natural geological deposits. The aim of this thesis is then to control particularly the particles motion in porous medium in order to anticipate quantitatively their migration. Liquid chromatography columns are filled with a clayey sand and fed with a decreasing concentration sodium chloride solution in order to study the particles outlet under a salinity gradient. When the porous medium undergoes a decrease of salinity it deteriorates. The adsorption of the cations : sodium 22, calcium 45, cesium 137 and neptunium 237 is then studied by the ions exchange method. The radionuclide solution is injected before the decrease of the feed solution salinity. The decrease of the sodium chloride concentration leads to the decrease of the radionuclides concentration because the adsorption competition between the sodium ion and the injected cation is lower. The particles transport, without fouling of the porous medium, is carried out in particular physical and chemical conditions which are described. (O.L.). 71 refs., 105 figs., 26 tabs.

  3. Differences in below-ground bud bank density and composition along a climatic gradient in the temperate steppe of northern China

    Czech Academy of Sciences Publication Activity Database

    Qian, J.; Wang, Z.; Klimešová, Jitka; Lü, X.; Kuang, W.; Liu, Z.; Han, X.

    2017-01-01

    Roč. 120, č. 5 (2017), s. 755-764 ISSN 0305-7364 R&D Projects: GA ČR GB14-36079G Institutional support: RVO:67985939 Keywords : Bud Bank * Precipitation gradient * Stepic vegetation Subject RIV: EH - Ecology, Behaviour OBOR OECD: Ecology Impact factor: 4.041, year: 2016

  4. Gravity Gradient Tensor of Arbitrary 3D Polyhedral Bodies with up to Third-Order Polynomial Horizontal and Vertical Mass Contrasts

    Science.gov (United States)

    Ren, Zhengyong; Zhong, Yiyuan; Chen, Chaojian; Tang, Jingtian; Kalscheuer, Thomas; Maurer, Hansruedi; Li, Yang

    2018-03-01

    During the last 20 years, geophysicists have developed great interest in using gravity gradient tensor signals to study bodies of anomalous density in the Earth. Deriving exact solutions of the gravity gradient tensor signals has become a dominating task in exploration geophysics or geodetic fields. In this study, we developed a compact and simple framework to derive exact solutions of gravity gradient tensor measurements for polyhedral bodies, in which the density contrast is represented by a general polynomial function. The polynomial mass contrast can continuously vary in both horizontal and vertical directions. In our framework, the original three-dimensional volume integral of gravity gradient tensor signals is transformed into a set of one-dimensional line integrals along edges of the polyhedral body by sequentially invoking the volume and surface gradient (divergence) theorems. In terms of an orthogonal local coordinate system defined on these edges, exact solutions are derived for these line integrals. We successfully derived a set of unified exact solutions of gravity gradient tensors for constant, linear, quadratic and cubic polynomial orders. The exact solutions for constant and linear cases cover all previously published vertex-type exact solutions of the gravity gradient tensor for a polygonal body, though the associated algorithms may differ in numerical stability. In addition, to our best knowledge, it is the first time that exact solutions of gravity gradient tensor signals are derived for a polyhedral body with a polynomial mass contrast of order higher than one (that is quadratic and cubic orders). Three synthetic models (a prismatic body with depth-dependent density contrasts, an irregular polyhedron with linear density contrast and a tetrahedral body with horizontally and vertically varying density contrasts) are used to verify the correctness and the efficiency of our newly developed closed-form solutions. Excellent agreements are obtained

  5. Differentiation between grade 3 and grade 4 articular cartilage defects of the knee: Fat-suppressed proton density-weighted versus fat-suppressed three-dimensional gradient-echo MRI

    Energy Technology Data Exchange (ETDEWEB)

    Lee, So Yeon; Jee, Won-Hee; Kim, Sun Ki (Dept. of Radiology, Seoul St Mary' s Hospital, Catholic Univ. of Korea, Seoul (Korea)), e-mail: whjee@catholic.ac.kr; Koh, In-Jun (Dept. of Joint Reconstruction Center, Seoul National Univ. Bundang Hospital, Seoul (Korea)); Kim, Jung-Man (Dept. of Orthopedic Surgery, Seoul St Mary' s Hospital, Catholic Univ. of Korea, Seoul (Korea))

    2010-05-15

    Background: Fat-suppressed (FS) proton density (PD)-weighted magnetic resonance imaging (MRI) and FS three-dimensional (3D) gradient-echo imaging such as spoiled gradient-recalled (SPGR) sequence have been established as accurate methods for detecting articular cartilage defects. Purpose: To retrospectively compare the diagnostic efficacy between FS PD-weighted and FS 3D gradient-echo MRI for differentiating between grade 3 and grade 4 cartilage defects of the knee with arthroscopy as the standard of reference. Material and Methods: Twenty-one patients who had grade 3 or 4 cartilage defects in medial femoral condyle at arthroscopy and knee MRI were included in this study: grade 3, >50% cartilage defects; grade 4, full thickness cartilage defects exposed to the bone. Sagittal FS PD-weighted MR images and FS 3D gradient-echo images with 1.5 T MR images were independently graded for the cartilage abnormalities of medial femoral condyle by two musculoskeletal radiologists. Statistical analysis was performed by Fisher's exact test. Inter-observer agreement in grading of cartilage was assessed using ? coefficients. Results: Arthroscopy revealed grade 3 defects in 17 patients and grade 4 defects in 4 patients in medial femoral condyles. For FS 3D gradient-echo images grade 3 defects were graded as grade 3 (n=15) and grade 4 (n=2), and all grade 4 defects (n=4) were correctly graded. However, for FS PD-weighted MR images all grade 3 defects were misinterpreted as grade 1 (n=1) and grade 4 (n=16), whereas all grade 4 defects (n=4) were correctly graded. FS 3D gradient-echo MRI could differentiate grade 3 from grade 4 defects (P=0.003), whereas FS PD-weighted imaging could not (P=1.0). Inter-observer agreement was substantial (?=0.70) for grading of cartilage using FS PD-weighted imaging, whereas it was moderate (?=0.46) using FS 3D gradient-echo imaging. Conclusion: FS 3D gradient-echo MRI is more helpful for differentiating between grade 3 and grade 4 cartilage

  6. The effect of water uptake gradient in membrane electrode assembly on fuel cell performance

    Energy Technology Data Exchange (ETDEWEB)

    Fujita, H., E-mail: hajime.phy@gmail.co [Research Institute for Science Engineering, Waseda University, 103, R.J.Shillman Hall, 3-14-9, Okubo, Shinjuku, Tokyo 169-0072 (Japan); Shiraki, F.; Oshima, Y.; Tatsumi, T.; Yoshikawa, T.; Sasaki, T. [Research Institute for Science Engineering, Waseda University, 103, R.J.Shillman Hall, 3-14-9, Okubo, Shinjuku, Tokyo 169-0072 (Japan); Oshima, A. [Institute for Scientific and Industrial Research, Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka 567-0047 (Japan); Washio, M. [Research Institute for Science Engineering, Waseda University, 103, R.J.Shillman Hall, 3-14-9, Okubo, Shinjuku, Tokyo 169-0072 (Japan)

    2011-02-15

    Novel proton exchange membranes (PEMs) with functionally gradient ionic sites were fabricated utilizing low energy electron beam (EB) irradiations. The low energy electron beam irradiation to polymer membranes possessed the property of gradient energy deposition in the membrane thickness direction. In the process of EB grafting of styrene onto base films, selective ranges of the gradient energy deposition were used. Micro FT-IR spectra showed that the simulated energy deposition of EB irradiation to base polymer membranes in the thickness direction corresponded to the amount of styrene grafted onto EB-irradiated films. After sulfonation, a functionally gradient ionic site PEM (gradient-PEM) was prepared, corresponding to EB depth-dose profile. The functionally gradients of ionic sites in the gradient-PEM and flat-PEM were evaluated with XPS and SEM-EDX. The results of XPS and SEM-EDX suggest that the prepared gradient-PEM had a gradient sulfonated acid groups. In addition, the polarization performance of MEA based on gradient-PEM was improved in high current density. It was thought that water uptake gradient could have a function to prevent flooding in the MEA during FC operation. Thus, the functionally gradient-PEMs could be a promising solution to manage the water behavior in MEA.

  7. Spiral Gradient Coil Design for Use in Cylindrical MRI Systems.

    Science.gov (United States)

    Wang, Yaohui; Xin, Xuegang; Liu, Feng; Crozier, Stuart

    2018-04-01

    In magnetic resonance imaging, the stream function based method is commonly used in the design of gradient coils. However, this method can be prone to errors associated with the discretization of continuous current density and wire connections. In this paper, we propose a novel gradient coil design scheme that works directly in the wire space, avoiding the system errors that may appear in the stream function approaches. Specifically, the gradient coil pattern is described with dedicated spiral functions adjusted to allow the coil to produce the required field gradients in the imaging area, minimal stray field, and other engineering terms. The performance of a designed spiral gradient coil was compared with its stream-function counterpart. The numerical evaluation shows that when compared with the conventional solution, the inductance and resistance was reduced by 20.9 and 10.5%, respectively. The overall coil performance (evaluated by the figure of merit (FoM)) was improved up to 26.5% for the x -gradient coil design; for the z-gradient coil design, the inductance and resistance were reduced by 15.1 and 6.7% respectively, and the FoM was increased by 17.7%. In addition, by directly controlling the wire distributions, the spiral gradient coil design was much sparser than conventional coils.

  8. Wood formation from the base to the crown in Pinus radiata: gradients of tracheid wall thickness, wood density, radial growth rate and gene expression

    Science.gov (United States)

    Sheree Cato; Lisa McMillan; Lloyd Donaldson; Thomas Richardson; Craig Echt; Richard Gardner

    2006-01-01

    Wood formation was investigated at five heights along the bole for two unrelated trees of Pinus radiataBoth trees showed clear gradients in wood properties from the base to the crown. Cambial cells at the base of the tree were dividing 3.3-fold slower than those at the crown, while the average thickness of cell walls in wood was highest at the base....

  9. A mean-density model of ionic surfactants for the dispersion of carbon nanotubes in aqueous solutions

    Science.gov (United States)

    Joung, Young Soo

    2018-05-01

    We propose a new analytical model of ionic surfactants used for the dispersion of carbon nanotubes (CNTs) in aqueous solutions. Although ionic surfactants are commonly used to facilitate the dispersion of CNTs in aqueous solutions, understanding the dispersion process is challenging and time-consuming owing to its complexity and nonlinearity. In this work, we develop a mean-density model of ionic surfactants to simplify the calculation of interaction forces between CNTs stabilized by ionic surfactants. Using this model, we can evaluate various interaction forces between the CNTs and ionic surfactants under different conditions. The dispersion mechanism is investigated by estimating the potential of mean force (PMF) as a function of van der Waals forces, electrostatic forces, interfacial tension, and osmotic pressure. To verify the proposed model, we compare the PMFs derived using our method with those derived from molecular dynamics simulations using comparable CNTs and ionic surfactants. Notably, for stable dispersions, the osmotic pressure and interfacial energy are important for long-range and short-range interactions, respectively, in comparison with the effect of electrostatic forces. Our model effectively prescribes specific surfactants and their concentrations to achieve stable aqueous suspensions of CNTs.

  10. Finite elements-based 2D theoretical analysis of the effect of IEX membrane thickness and salt solution residence time on the ion transport within a salinity gradient power reverse electrodialysis half cell pair

    OpenAIRE

    Etienne, Brauns

    2013-01-01

    Reverse electrodialysis electrical power generation is based on the transport of salt ions through ion conductive membranes. The ion flux, equivalent to an electric current, results from a salinity gradient, induced by two salt solutions at significantly different concentrations. Such equivalent electric current in combination with the corresponding electrochemical potential difference across the membrane, equivalent to an electric potential, results in a battery equivalency. While having a c...

  11. Creation of Novel Solid-Solution Alloy Nanoparticles on the Basis of Density-of-States Engineering by Interelement Fusion.

    Science.gov (United States)

    Kobayashi, Hirokazu; Kusada, Kohei; Kitagawa, Hiroshi

    2015-06-16

    Currently 118 known elements are represented in the periodic table. Of these 118 elements, only about 80 elements are stable, nonradioactive, and widely available for our society. From the viewpoint of the "elements strategy", we need to make full use of the 80 elements to bring out their latent ability and create innovative materials. Furthermore, there is a strong demand that the use of rare or toxic elements be reduced or replaced while their important properties are retained. Advanced science and technology could create higher-performance materials even while replacing or reducing minor or harmful elements through the combination of more abundant elements. The properties of elements are correlated directly with their electronic states. In a solid, the magnitude of the density of states (DOS) at the Fermi level affects the physical and chemical properties. In the present age, more attention has been paid to improving the properties of materials by means of alloying elements. In particular, the solid-solution-type alloy is advantageous because the properties can be continuously controlled by tuning the compositions and/or combinations of the constituent elements. However, the majority of bulk alloys are of the phase-separated type under ambient conditions, where constituent elements are immiscible with each other. To overcome the challenge of the bulk-phase metallurgical aspects, we have focused on the nanosize effect and developed methods involving "nonequilibrium synthesis" or "a process of hydrogen absorption/desorption". We propose a new concept of "density-of-states engineering" for the design of materials having the most desirable and suitable properties by means of "interelement fusion". In this Account, we describe novel solid-solution alloys of Pd-Pt, Ag-Rh, and Pd-Ru systems in which the constituent elements are immiscible in the bulk state. The homogeneous solid-solution alloys of Pd and Pt were created from Pd core/Pt shell nanoparticles using a

  12. Surface Tension of Binary Mixtures Including Polar Components Modeled by the Density Gradient Theory Combined with the PC-SAFT Equation of State

    Czech Academy of Sciences Publication Activity Database

    Vinš, Václav; Planková, Barbora; Hrubý, Jan

    2013-01-01

    Roč. 34, č. 5 (2013), s. 792-812 ISSN 0195-928X R&D Projects: GA AV ČR IAA200760905; GA ČR(CZ) GPP101/11/P046; GA ČR GA101/09/1633 Institutional research plan: CEZ:AV0Z20760514 Institutional support: RVO:61388998 Keywords : chemical polarity * gradient theory * surface tension Subject RIV: BJ - Thermodynamics Impact factor: 0.623, year: 2013 http://www.springerlink.com/openurl.asp?genre=article&id=doi:10.1007/s10765-012-1207-z

  13. Determination of semi-empirical relationship between the manganese and hydrogen atoms ratio, physical density and concentration in an aqueous solution of manganese sulphate

    Energy Technology Data Exchange (ETDEWEB)

    Rodrigues Bittencourt, Guilherme, E-mail: bittencourt@ird.gov.b [Instituto de Radioprotecao e Dosimetria LNMRI/IRD/CNEN, Av. Salvador Allende, s/n Recreio dos Bandeirantes, CEP 22780-160, Rio de Janeiro, RJ (Brazil); Souza Patrao, Karla Cristina de, E-mail: karla@ird.gov.b [Instituto de Radioprotecao e Dosimetria LNMRI/IRD/CNEN, Av. Salvador Allende, s/n Recreio dos Bandeirantes, CEP 22780-160, Rio de Janeiro, RJ (Brazil); Passos Leite, Sandro, E-mail: sandro@ird.gov.b [Programa de Engenharia Nuclear/COPPE, Universidade Federal do Rio de Janeiro, Ilha do Fundao, Caixa Postal 68509, 21945-970, Rio de Janeiro, RJ (Brazil); Wagner Pereira, Walsan, E-mail: walsan@ird.gov.b [Instituto de Radioprotecao e Dosimetria LNMRI/IRD/CNEN, Av. Salvador Allende, s/n Recreio dos Bandeirantes, CEP 22780-160, Rio de Janeiro, RJ (Brazil); Simoes da Fonseca, Evaldo, E-mail: evaldo@ird.gov.b [Instituto de Radioprotecao e Dosimetria LNMRI/IRD/CNEN, Av. Salvador Allende, s/n Recreio dos Bandeirantes, CEP 22780-160, Rio de Janeiro, RJ (Brazil)

    2010-12-15

    The Manganese sulphate solution has been used for neutron metrology through the method of Manganese Bath. This method uses physical parameters of manganese sulphate solution to obtain its corrections. This work established a functional relationship, using the gravimetric method, between those physical parameters: density, concentration and hydrogen to manganese ratio. Comparisons were done between manganese sulphate solution concentration from the Manganese Bath system of Laboratory of Metrology of Ionising Radiation and estimated values from the functional relationship obtained, showing percentage difference of less than 0.1%. This result demonstrates the usefulness in the correlation of the physical values of the solution to the MB.

  14. A rapid method for measuring maximum density temperatures in water and aqueous solutions for the study of quantum zero point energy effects in these liquids

    International Nuclear Information System (INIS)

    Deeney, F A; O'Leary, J P

    2008-01-01

    The connection between quantum zero point fluctuations and a density maximum in water and in liquid He 4 has recently been established. Here we present a description of a simple and rapid method of determining the temperatures at which maximum densities in water and aqueous solutions occur. The technique is such as to allow experiments to be carried out in one session of an undergraduate laboratory thereby introducing students to the concept of quantum zero point energy

  15. Second harmonic generation study of malachite green adsorption at the interface between air and an electrolyte solution: observing the effect of excess electrical charge density at the interface.

    Science.gov (United States)

    Song, Jinsuk; Kim, Mahn Won

    2010-03-11

    Understanding the differential adsorption of ions at the interface of an electrolyte solution is very important because it is closely related, not only to the fundamental aspects of biological systems, but also to many industrial applications. We have measured the excess interfacial negative charge density at air-electrolyte solution interfaces by using resonant second harmonic generation of oppositely charged probe molecules. The excess charge density increased with the square root of the bulk electrolyte concentration. A new adsorption model that includes the electrostatic interaction between adsorbed molecules is proposed to explain the measured adsorption isotherm, and it is in good agreement with the experimental results.

  16. Desvio da proporção de sexo e da integridade do DNA dos espermatozóides bovinos centrifugados em gradientes de densidade contínuos Alteration of sex ratio and DNA integrity of bovine sperm centrifuged in continuous density gradients

    Directory of Open Access Journals (Sweden)

    Alberto Lopes Gusmão

    2010-03-01

    Full Text Available O objetivo, neste trabalho, foi verificar o desvio da proporção de sexo e a presença de fragmentação do DNA, pela técnica de TUNEL (“In situ terminal deoxinucleotidyl transferase mediated dUTP nick end labeling assay”, em espermatozoides bovinos centrifugados em gradientes de densidade de Percoll ou OptiPrep durante a separação espermática. Doses de sêmen de touros foram descongeladas, e cerca de 40 milhões de espermatozoides foram depositados sobre cada gradiente de densidade compostos por Percoll ou OptiPrep com três camadas entre 1.110g/mL e 1.123g/mL, em tubos de 15mL, em que permaneceram por 24h a 4°C antes da deposição dos espermatozoides. Os tubos foram centrifugados a 500xg por 15min a 22°C. Os sobrenadantes foram aspirados, e os sedimentos, recuperados para verificação da fragmentação do DNA pela técnica de TUNEL. Obteve-se um desvio dos embriões produzidos in vitro para fêmeas no gradiente de Percoll (62% de fêmeas, em relação aos grupos OptiPrep e Controle (47,1 e 48,7% de fêmeas, respectivamente. Não foi detectada fragmentação do DNA dos espermatozoides nas amostras centrifugadas, tanto no gradiente de Percoll quanto de OptiPrep. Dessa forma, foi possível realizar a sexagem espermática, com uma maior porcentagem de espermatozoides X do que o grupo controle, por meio de metodologia mais simples e sem provocar danos ao DNA dos espermatozoides.The objective of the present study was to verify the sex ratio and presence of DNA fragmentation by TUNEL technique (In situ terminal deoxinucleotidyl transferase mediated dUTP nick end labeling assay in bovine spermatozoa centrifuged in density gradients of Percoll or OptiPrep during the sperm separation. Approximately 40 million of frozen/thawed bovine spermatozoa were deposited on each density gradient composed of Percoll or OptiPrep with three layers ranging from 1.110g/mL to 1.123g/mL in polystyrene tubes of 15mL. The tubes were kept at 4°C for 24h before

  17. EXPERIMENTAL INVESTIGATION OF HEAT STORAGE CHARACTERISTIC OF UREA AND BORAX SALT GRADIENT SOLAR PONDS

    Directory of Open Access Journals (Sweden)

    Hüseyin KURT

    2006-03-01

    Full Text Available Salt gradient solar ponds are simple and low cost solar energy system for collecting and storing solar energy. In this study, heat storage characteristic of urea and borax solutions in the solar pond were examined experimentally. Establishing density gradients in different concentration, variations in the temperature and density profiles were observed in four different experiments. Maximum storage temperatures were measured as 28ºC and 36 ºC for the ponds with urea and borax solution, respectively. The temperature difference between the bottom and the surface of the pond were measured as 13 ºC for urea and 17 ºC for borax- solutions. According to these results, heat storage characteristic of the solar pond with borax solution was found to be better than urea solution.

  18. Reference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules

    International Nuclear Information System (INIS)

    Cao, Siqin; Sheong, Fu Kit; Huang, Xuhui

    2015-01-01

    Reference interaction site model (RISM) has recently become a popular approach in the study of thermodynamical and structural properties of the solvent around macromolecules. On the other hand, it was widely suggested that there exists water density depletion around large hydrophobic solutes (>1 nm), and this may pose a great challenge to the RISM theory. In this paper, we develop a new analytical theory, the Reference Interaction Site Model with Hydrophobicity induced density Inhomogeneity (RISM-HI), to compute solvent radial distribution function (RDF) around large hydrophobic solute in water as well as its mixture with other polyatomic organic solvents. To achieve this, we have explicitly considered the density inhomogeneity at the solute-solvent interface using the framework of the Yvon-Born-Green hierarchy, and the RISM theory is used to obtain the solute-solvent pair correlation. In order to efficiently solve the relevant equations while maintaining reasonable accuracy, we have also developed a new closure called the D2 closure. With this new theory, the solvent RDFs around a large hydrophobic particle in water and different water-acetonitrile mixtures could be computed, which agree well with the results of the molecular dynamics simulations. Furthermore, we show that our RISM-HI theory can also efficiently compute the solvation free energy of solute with a wide range of hydrophobicity in various water-acetonitrile solvent mixtures with a reasonable accuracy. We anticipate that our theory could be widely applied to compute the thermodynamic and structural properties for the solvation of hydrophobic solute

  19. Influence of flavour absorption by food-packaging materials (low-density polyethylene, polycarbonate and polyethylene terephthalate) on taste perception of a model solution and orange juice

    NARCIS (Netherlands)

    Willige, van R.W.G.; Linssen, J.P.H.; Legger, A.; Voragen, A.G.J.

    2003-01-01

    The influence of flavour absorption by low-density polyethylene (LDPE), polycarbonate (PC) and polyethylene terephthalate (PET) on taste perception of a model solution containing seven flavour compounds and orange juice in glass bottles was studied with and without pieces of the respective plastic

  20. Application of gradient-corrected density functional theory to the structures and thermochemistries of ScF3, TiF4, VF5, and CrF6

    International Nuclear Information System (INIS)

    Russo, T.V.; Martin, R.L.; Jeffrey Hay, P.

    1995-01-01

    Density functional theory (DFT) and Hartree--Fock (HF) calculations are reported for the family of transition metal fluorides ScF 3 , TiF 4 , VF 5 , and CrF 6 . Both HF and the local-density approximation (LDA) yield excellent agreement with experimental bond lengths, while the B-LYP gradient-corrected density functional gives bond lengths 0.04-0.05 A too long. An investigation of various combinations of exchange and correlation functionals shows that, for this series, the origin of this behavior lies in the Becke exchange functional. Much improved bond distances are found using the hybrid HF/DFT functional advocated by Becke. This approximation also leads to much improved thermochemistries. The LDA overestimates average bond energies in this series by 30-40 kcal/mol, whereas the B-LYP functional overbinds by only ∼8-12 kcal/mol, and the hybrid HF/DFT method overbinds by only ∼2 kcal/mol. The hybrid method predicts the octahedral isomer of CrF 6 to be more stable than the trigonal prismatic form by 14 kcal/mol. Comparison of theoretical vibrational frequencies with experiment supports the assignment of an octahedral geometry

  1. Ion temperature gradient mode driven solitons and shocks

    Science.gov (United States)

    Zakir, U.; Adnan, Muhammad; Haque, Q.; Qamar, Anisa; Mirza, Arshad M.

    2016-04-01

    Ion temperature gradient (ITG) driven solitons and shocks are studied in a plasma having gradients in the equilibrium number density and equilibrium ion temperature. In the linear regime, it is found that the ion temperature and the ratio of the gradient scale lengths, ηi=Ln/LT , affect both the real frequency and the growth rate of the ITG driven wave instability. In the nonlinear regime, for the first time we derive a Korteweg de Vries-type equation for the ITG mode, which admits solitary wave solution. It is found that the ITG mode supports only compressive solitons. Further, it is noticed that the soliton amplitude and width are sensitive to the parameter ηi=Ln/LT . Second, in the presence of dissipation in the system, we obtain a Burger type equation, which admits the shock wave solution. This work may be useful to understand the low frequency electrostatic modes in inhomogeneous electron-ion plasma having density and ion temperature gradients. For illustration, the model has been applied to tokamak plasma.

  2. Irradiance gradients

    International Nuclear Information System (INIS)

    Ward, G.J.; Heckbert, P.S.; Technische Hogeschool Delft

    1992-04-01

    A new method for improving the accuracy of a diffuse interreflection calculation is introduced in a ray tracing context. The information from a hemispherical sampling of the luminous environment is interpreted in a new way to predict the change in irradiance as a function of position and surface orientation. The additional computation involved is modest and the benefit is substantial. An improved interpolation of irradiance resulting from the gradient calculation produces smoother, more accurate renderings. This result is achieved through better utilization of ray samples rather than additional samples or alternate sampling strategies. Thus, the technique is applicable to a variety of global illumination algorithms that use hemicubes or Monte Carlo sampling techniques

  3. Explanation of L→H mode transition based on gradient stabilization of edge thermal fluctuations

    International Nuclear Information System (INIS)

    Stacey, W.M.

    1996-01-01

    A linear analysis of thermal fluctuations, using a fluid model which treats the large radial gradient related phenomena in the plasma edge, leads to a constraint on the temperature and density gradients for stabilization of edge temperature fluctuations. A temperature gradient, or conductive edge heat flux, threshold is identified. It is proposed that the L→H transition takes place when the conductive heat flux to the edge produces a sufficiently large edge temperature gradient to stabilize the edge thermal fluctuations. The consequences following from this mechanism for the L→H transition are in accord with observed phenomena associated with the L→H transition and with the observed parameter dependences of the power threshold. First, a constraint is established on the edge temperature and density gradients that are sufficient for the stability of edge temperature fluctuations. A slab approximation for the thin plasma edge and a fluid model connected to account for the large radial gradients present in the plasma edge are used. Equilibrium solutions are characterized by the value of the density and of its gradient L n -1 double-bond - n -1 , etc. Temperature fluctuations expanded about the equilibrium value are then used in the energy balance equation summed over plasma ions, electrons and impurities to obtain, after linearization, an expression for the growth rate ω of edge localized thermal fluctuations. Thermal stability of the equilibrium solution requires ω ≤ 0, which establishes a constraint that must be satisfied by L n -1 and L T -1 . The limiting value of the constraint (ω = 0) leads to an expression for the minimum value of that is sufficient for thermal stability, for a given value of L T -1. It is found that there is a minimum value of the temperature gradient, (L T -1 ) min that is necessary for a stable solution to exist for any value of L n -1

  4. Towards the description of the phase behavior of electrolyte solutions in slit-like pores. Density functional approach for the restricted primitive model

    Directory of Open Access Journals (Sweden)

    O.Pizio

    2004-01-01

    Full Text Available We develop a density functional approach for the phase behavior of the restricted primitive model for electrolyte solutions confined to slit-like pores. The theory permits to evaluate the effects of confinement on the ionic vapor - ionic liquid coexistence envelope. We have shown that due to confinement in pores with uncharged walls the critical temperature of the model decreases compared to the bulk. Also the coexistence envelope of the transition is narrower in comparison to the bulk model. The transition between dense and dilute phase represents capillary evaporation. We have analyzed changes of the density profiles of ions during transition. Possible extensions of this study are discussed.

  5. Effect of Sintering Atmosphere and Solution Treatment on Density, Microstructure and Tensile Properties of Duplex Stainless Steels Developed from Pre-alloyed Powders

    Science.gov (United States)

    Murali, Arun Prasad; Mahendran, Sudhahar; Ramajayam, Mariappan; Ganesan, Dharmalingam; Chinnaraj, Raj Kumar

    2017-10-01

    In this research, Powder Metallurgy (P/M) of Duplex Stainless Steels (DSS) of different compositions were prepared through pre-alloyed powders and elemental powders with and without addition of copper. The powder mix was developed by pot mill for 12 h to obtain the homogeneous mixture of pre-alloyed powder with elemental compositions. Cylindrical green compacts with the dimensions of 30 mm diameter and 12 mm height were compacted through universal testing machine at a pressure level of 560 ± 10 MPa. These green compacts were sintered at 1350 °C for 2 h in hydrogen and argon atmospheres. Some of the sintered stainless steel preforms were solution treated at 1050 °C followed by water quenching. The sintered as well as solution treated samples were analysed by metallography examination, Scanning Electron Microscopy and evaluation of mechanical properties. Ferrite content of sintered and solution treated DSS were measured by Fischer Ferritoscope. It is inferred that the hydrogen sintered DSS depicted better density (94% theoretical density) and tensile strength (695 MPa) than the argon sintered steels. Similarly the microstructure of solution treated DSS revealed existence of more volume of ferrite grains than its sintered condition. Solution treated hydrogen sintered DSS A (50 wt% 316L + 50 wt% 430L) exhibited higher tensile strength of 716 MPa and elongation of 17%, which are 10-13% increment than the sintered stainless steels.

  6. Studies on the interactions of diglycine and triglycine with polyethylene glycol 400 in aqueous solutions by density and ultrasound speed measurements

    International Nuclear Information System (INIS)

    Sahin, Melike; Ayranci, Erol

    2013-01-01

    Highlights: ► Di- and tri-glycine in aqueous PEG400 solutions were investigated thermodynamically. ► Density and ultrasound speed of glycine oligomer-PEG400-water systems were measured. ► Apparent molar volumes and isentropic compressions were calculated. ► Apparent molar isobaric expansions were derived. ► Results were interpreted in terms of water–glycine oligomer-PEG400 interactions. -- Abstract: Density and ultrasound speed were measured accurately for diglycine + water, triglycine + water, diglycine + water-polyethylene glycol 400 (PEG400) and triglycine + water-PEG400 solutions at T = (293.15, 298.15, 303.15 and 308.15) K. The results were used in evaluating thermodynamic properties as apparent molar volumes (V Ø ) and apparent molar isentropic compressions (K SΦ ) of diglycine and triglycine in water and in PEG400 solutions. Infinite dilution values of these parameters, V o Ø , and K o SΦ , were obtained from their plots as a function of molality by extrapolation and have been utilized in obtaining transfer volumes and transfer compressions at infinite dilution. All transfer volumes and transfer compressions were found to increase with increasing molality of PEG400. Apparent molar isobaric expansions were derived from the temperature dependence of V Ø values at infinite dilution and at finite concentrations. All the results were interpreted in terms of solute (diglycine or triglycine) and co-solute (PEG400) and solvent (H 2 O) interactions

  7. Finite Difference Solution of Elastic-Plastic Thin Rotating Annular Disk with Exponentially Variable Thickness and Exponentially Variable Density

    Directory of Open Access Journals (Sweden)

    Sanjeev Sharma

    2013-01-01

    Full Text Available Elastic-plastic stresses, strains, and displacements have been obtained for a thin rotating annular disk with exponentially variable thickness and exponentially variable density with nonlinear strain hardening material by finite difference method using Von-Mises' yield criterion. Results have been computed numerically and depicted graphically. From the numerical results, it can be concluded that disk whose thickness decreases radially and density increases radially is on the safer side of design as compared to the disk with exponentially varying thickness and exponentially varying density as well as to flat disk.

  8. Densities and apparent molar volumes of aqueous LiI solutions at temperatures from (296 to 600) K and at pressures up to 30 MPa

    International Nuclear Information System (INIS)

    Abdulagatov, I.M.; Azizov, N.D.

    2004-01-01

    Densities of five aqueous LiI solutions (0.0906, 0.2832, 0.6621, 1.6046, and 3.0886) mol . kg -1 H 2 O were measured in the liquid phase with a constant-volume piezometer immersed in a precision liquid thermostat. Measurements were made along various isotherms between (296.95 and 600.25) K. The range of pressure was (0.1 to 30) MPa. The total uncertainty of density, pressure, temperature, and concentration measurements was estimated to be less than 0.06%, 0.05%, 15 mK, and 0.014%, respectively. To check and confirm the accuracy of the measurements, (p,V m ,T,x) data were taken for pure water at selected temperatures and pressures. Experimental and calculated (IAPWS formulation) densities for pure water show excellent agreement within their experimental uncertainties (average absolute deviation is 0.02%). Values of saturated densities were determined by extrapolating experimental p - ρ data to the vapour pressure at fixed temperature and composition using a linear interpolating equation. Apparent molar volumes were derived using measured values of density for solutions and pure water. The apparent molar volumes were extrapolated to zero concentration (m → 0) to yield partial molar volumes of electrolyte (LiI) at infinite dilution. The temperature, pressure, and concentration dependence of apparent and partial molar volumes was studied. The measured values of density, apparent and partial molar volume were compared with data reported in the literature by other authors. A polynomial type of equation of state for specific volume was obtained as a function of temperature, pressure, and composition by a least-squares method using the experimental data. The average absolute deviation (AAD) between measured and calculated values from this polynomial equation for density was 0.065%

  9. Formation of large-scale structures with sharp density gradient through Rayleigh-Taylor growth in a two-dimensional slab under the two-fluid and finite Larmor radius effects

    International Nuclear Information System (INIS)

    Goto, R.; Hatori, T.; Miura, H.; Ito, A.; Sato, M.

    2015-01-01

    Two-fluid and the finite Larmor effects on linear and nonlinear growth of the Rayleigh-Taylor instability in a two-dimensional slab are studied numerically with special attention to high-wave-number dynamics and nonlinear structure formation at a low β-value. The two effects stabilize the unstable high wave number modes for a certain range of the β-value. In nonlinear simulations, the absence of the high wave number modes in the linear stage leads to the formation of the density field structure much larger than that in the single-fluid magnetohydrodynamic simulation, together with a sharp density gradient as well as a large velocity difference. The formation of the sharp velocity difference leads to a subsequent Kelvin-Helmholtz-type instability only when both the two-fluid and finite Larmor radius terms are incorporated, whereas it is not observed otherwise. It is shown that the emergence of the secondary instability can modify the outline of the turbulent structures associated with the primary Rayleigh-Taylor instability

  10. The Entropy Solutions for the Lighthill-Whitham-Richards Traffic Flow Model with a Discontinuous Flow-Density Relationship

    National Research Council Canada - National Science Library

    Lu, Yadong; Wong, S. C; Zhang, Mengping; Shu, Chi-Wang

    2007-01-01

    ...) traffic flow model with a flow-density relationship which is piecewise quadratic, concave, but not continuous at the junction points where two quadratic polynomials meet, and with piecewise linear...

  11. Concentration dependences of the density, viscosity, and refraction index of Cu(NO3)2 · 3H2O solutions in DMSO at 298 K

    Science.gov (United States)

    Mamyrbekova, A. K.

    2013-03-01

    Physicochemical properties (density, dynamic viscosity, refraction index) of the DMSO-Cu(NO3)2 · 3H2O system are studied in the concentration range of 0.01-2 M at 298 K. The refraction index of a solution of copper(II) nitrate in dimethylsulfoxide (DMSO) is measured at 288-318 K. The excess and partial molar volumes of the solvent and dissolved substance are calculated analytically.

  12. Minimum critical values of uranyl and plutonium nitrate solutions calculated by various routes of the french criticality codes system CRISTAL using the new isopiestic nitrate density law

    International Nuclear Information System (INIS)

    Anno, Jacques; Rouyer, Veronique; Leclaire, Nicolas

    2003-01-01

    This paper provides for various cases of 235 U enrichment or Pu isotopic vectors, and different reflectors, new minimum critical values of uranyl nitrate and plutonium nitrate solutions (H + =0) obtained by the standard IRSN calculation route and the new isopiestic density laws. Comparisons are also made with other more accurate routes showing that the standard one's results are most often conservative and usable for criticality safety assessments. (author)

  13. Viscosity, surface tension, density and contact angle of selected PbI2, PbCl2 and methylammonium lead halide perovskite solutions used in perovskite solar cells

    Directory of Open Access Journals (Sweden)

    Mohammad-Reza Ahmadian-Yazdi

    2018-02-01

    Full Text Available Perovskite solar cells (PSCs are currently under vigorous research and development, owing to their compelling power conversion efficiencies. PSCs are solution-processed and, therefore, are fabricated using casting and printing methods, such as spin, spray and blade coating. The coating characteristics significantly depend on the physical and rheological properties of the solutions. Thus, due to the scarcity of such properties, in this work, we report the surface tension, viscosity, density, and contact angle of selected methylammonium lead halide perovskite solutions, in order to gain insight into the behavior of the perovskite solutions and the range of such physical properties. The contact angles were measured on PEDOT:PSS and compact TiO2 (c-TiO2 substrates, commonly used as the underneath layers of the perovskite film. In total, 12 solutions of CH3NH3PbI3 and CH3NH3PbI3-xClx dissolved in common solvents, as well as solutions of PbI2, PbCl2, and CH3NH3I were tested. Among the results, it is shown that the tested perovskite solutions are Newtonian, the apparent contact angles on the mesoporous TiO2 (m-TiO2 are close to zero, on the PEDOT:PSS are around 10°, and on the c-TiO2 are around 30°. Also, contact angle hysteresis is observed in the case of the c-TiO2 substrates. Representative impact dynamics and spreading of perovskite solution droplets are also studied, to demonstrate the importance of the solution properties and process parameters on the coating process.

  14. Viscosity, surface tension, density and contact angle of selected PbI2, PbCl2 and methylammonium lead halide perovskite solutions used in perovskite solar cells

    Science.gov (United States)

    Ahmadian-Yazdi, Mohammad-Reza; Rahimzadeh, Amin; Chouqi, Zineb; Miao, Yihe; Eslamian, Morteza

    2018-02-01

    Perovskite solar cells (PSCs) are currently under vigorous research and development, owing to their compelling power conversion efficiencies. PSCs are solution-processed and, therefore, are fabricated using casting and printing methods, such as spin, spray and blade coating. The coating characteristics significantly depend on the physical and rheological properties of the solutions. Thus, due to the scarcity of such properties, in this work, we report the surface tension, viscosity, density, and contact angle of selected methylammonium lead halide perovskite solutions, in order to gain insight into the behavior of the perovskite solutions and the range of such physical properties. The contact angles were measured on PEDOT:PSS and compact TiO2 (c-TiO2) substrates, commonly used as the underneath layers of the perovskite film. In total, 12 solutions of CH3NH3PbI3 and CH3NH3PbI3-xClx dissolved in common solvents, as well as solutions of PbI2, PbCl2, and CH3NH3I were tested. Among the results, it is shown that the tested perovskite solutions are Newtonian, the apparent contact angles on the mesoporous TiO2 (m-TiO2) are close to zero, on the PEDOT:PSS are around 10°, and on the c-TiO2 are around 30°. Also, contact angle hysteresis is observed in the case of the c-TiO2 substrates. Representative impact dynamics and spreading of perovskite solution droplets are also studied, to demonstrate the importance of the solution properties and process parameters on the coating process.

  15. Electrical conductivity of the nutrient solution and plant density in aeroponic production of seed potato under tropical conditions (winter/spring

    Directory of Open Access Journals (Sweden)

    Alex Humberto Calori

    Full Text Available ABSTRACT The recent introduction in Brazil of production of quality seed potatoes in hydroponic systems, such as aeroponics, demands studies on the nutritional and crop management. Thus, this study evaluated the influence of electrical conductivity of the nutrient solution and plant density on the seed potato minitubers production in aeroponics system. The Agata and Asterix cultivars were produced in a greenhouse under tropical conditions (winter/spring. The experimental design was a randomized block in a split-split plot design. The plot consisted of 4 electrical conductivities of the nutrient solution (1.0; 2.0; 3.0; and 4.0 dS∙m−1; the subplot, of 4 plant densities (25; 44; 66; and 100 plants∙m−2; and the subsubplot, of the 2 potato cultivars (Ágata and Asterix, totaling 4 blocks. The 2.2 and 2.1 dS∙m−1 electrical conductivities yielded the highest productivity of seed potato minitubers, for Ágata and Asterix cultivars, respectively, regardless of plant density. For both cultivars, the highest yield was observed for the 100 plants∙m−2 density.

  16. Densities, refractive indices, and viscosities of N,N-diethylethanol ammonium chloride–glycerol or –ethylene glycol deep eutectic solvents and their aqueous solutions

    International Nuclear Information System (INIS)

    Siongco, Kathrina R.; Leron, Rhoda B.; Li, Meng-Hui

    2013-01-01

    Highlights: • The densities, refractive indices, and viscosities of aqueous DES solutions were measured. • DES are made from N,N-diethylethanol ammonium chloride + glycerol or ethylene glycol. • The temperature studied was (298.15 to 343.15) K. • The measured data were reported as functions of temperature and composition. • The measured data were represented satisfactorily by the applied correlations. -- Abstract: In this work, we report new experimental data on density, ρ, refractive index, n D, and viscosity, η, of two deep eutectic solvents, N,N-diethylethanol ammonium chloride–glycerol (DEACG) and N,N-diethylethanol ammonium chloride–ethylene glycol (DEACEG), and their aqueous solutions, over the complete composition range, at temperatures from (298.15 to 343.15) K. Densities and viscosities were measured using the vibrating tube and the falling ball techniques, respectively, while the refractive index at the sodium D line was measured using an automatic refractometer. We aimed to represent the measured properties as a function of temperature and composition, and correlated them using the Redlich–Kister-type equation, for density, a polynomial function, for refractive index, and the Vogel–Fulcher–Tammann (VFT) equation, for viscosity

  17. MODIFIED ARMIJO RULE ON GRADIENT DESCENT AND CONJUGATE GRADIENT

    Directory of Open Access Journals (Sweden)

    ZURAIDAH FITRIAH

    2017-10-01

    Full Text Available Armijo rule is an inexact line search method to determine step size in some descent method to solve unconstrained local optimization. Modified Armijo was introduced to increase the numerical performance of several descent algorithms that applying this method. The basic difference of Armijo and its modified are in existence of a parameter and estimating the parameter that is updated in every iteration. This article is comparing numerical solution and time of computation of gradient descent and conjugate gradient hybrid Gilbert-Nocedal (CGHGN that applying modified Armijo rule. From program implementation in Matlab 6, it's known that gradient descent was applying modified Armijo more effectively than CGHGN from one side: iteration needed to reach some norm of the gradient  (input by the user. The amount of iteration was representing how long the step size of each algorithm in each iteration. In another side, time of computation has the same conclusion.

  18. On lower order strain gradient plasticity theories

    DEFF Research Database (Denmark)

    Niordson, Christian Frithiof; Hutchinson, J. W.

    2003-01-01

    By way of numerical examples, this paper explores the nature of solutions to a class of strain gradient plasticity theories that employ conventional stresses, equilibrium equations and boundary conditions. Strain gradients come into play in these modified conventional theories only to alter...... the tangent moduli governing increments of stress and strain. It is shown that the modification is far from benign from a mathematical standpoint, changing the qualitative character of solutions and leading to a new type of localization that is at odds with what is expected from a strain gradient theory....... The findings raise questions about the physical acceptability of this class of strain gradient theories....

  19. Exact solutions to traffic density estimation problems involving the Lighthill-Whitham-Richards traffic flow model using mixed integer programming

    KAUST Repository

    Canepa, Edward S.; Claudel, Christian G.

    2012-01-01

    This article presents a new mixed integer programming formulation of the traffic density estimation problem in highways modeled by the Lighthill Whitham Richards equation. We first present an equivalent formulation of the problem using an Hamilton-Jacobi equation. Then, using a semi-analytic formula, we show that the model constraints resulting from the Hamilton-Jacobi equation result in linear constraints, albeit with unknown integers. We then pose the problem of estimating the density at the initial time given incomplete and inaccurate traffic data as a Mixed Integer Program. We then present a numerical implementation of the method using experimental flow and probe data obtained during Mobile Century experiment. © 2012 IEEE.

  20. Exact solutions to traffic density estimation problems involving the Lighthill-Whitham-Richards traffic flow model using mixed integer programming

    KAUST Repository

    Canepa, Edward S.

    2012-09-01

    This article presents a new mixed integer programming formulation of the traffic density estimation problem in highways modeled by the Lighthill Whitham Richards equation. We first present an equivalent formulation of the problem using an Hamilton-Jacobi equation. Then, using a semi-analytic formula, we show that the model constraints resulting from the Hamilton-Jacobi equation result in linear constraints, albeit with unknown integers. We then pose the problem of estimating the density at the initial time given incomplete and inaccurate traffic data as a Mixed Integer Program. We then present a numerical implementation of the method using experimental flow and probe data obtained during Mobile Century experiment. © 2012 IEEE.

  1. Rev1, Rev3, or Rev7 siRNA Abolishes Ultraviolet Light-Induced Translesion Replication in HeLa Cells: A Comprehensive Study Using Alkaline Sucrose Density Gradient Sedimentation

    Directory of Open Access Journals (Sweden)

    Jun Takezawa

    2010-01-01

    Full Text Available When a replicative DNA polymerase stalls upon encountering a lesion on the template strand, it is relieved by other low-processivity polymerase(s, which insert nucleotide(s opposite the lesion, extend by a few nucleotides, and dissociate from the 3′-OH. The replicative polymerase then resumes DNA synthesis. This process, termed translesion replication (TLS or replicative bypass, may involve at least five different polymerases in mammals, although the participating polymerases and their roles have not been entirely characterized. Using siRNAs originally designed and an alkaline sucrose density gradient sedimentation technique, we verified the involvement of several polymerases in ultraviolet (UV light-induced TLS in HeLa cells. First, siRNAs to Rev3 or Rev7 largely abolished UV-TLS, suggesting that these 2 gene products, which comprise Polζ, play a main role in mutagenic TLS. Second, Rev1-targeted siRNA also abrogated UV-TLS, indicating that Rev1 is also indispensable to mutagenic TLS. Third, Polη-targeted siRNA also prevented TLS to a greater extent than our expectations. Forth, although siRNA to Polι had no detectable effect, that to Polκ delayed UV-TLS. To our knowledge, this is the first study reporting apparent evidence for the participation of Polκ in UV-TLS.

  2. Tautomeric equilibrium of creatinine and creatininium cation in aqueous solutions explored by Raman spectroscopy and density functional theory calculations

    International Nuclear Information System (INIS)

    Gao, Jiao; Hu, Yongjun; Li, Shaoxin; Zhang, Yanjiao; Chen, Xue

    2013-01-01

    Highlights: ► The tautomeric equlibrium and behavior of creatinine in aqueous solutions have been firstly studied by means of Raman spectroscopy and theoretical calculations (DFT). ► As 7 water molecules are gradually aggregated around the creatinine, theoretical results show an excellent accordance with the experimental spectrum. ► Analysis of molecular electrostatic potential (MEP) for creatinine (two tautomers and one protonated form) could explain why typical experimental Raman spectra with different pH values have obvious discrepancies at the electrical level. -- Abstract: The Raman spectral studies of creatinine with pH dependence were performed to explore the effects of pH values on the Raman spectroscopy of creatinine. Firstly, we calculated vibrational spectra by DFT to derive the equilibrium geometries and protonated form of creatinine. Comparing simulated and observed Raman spectra of creatinine in aqueous solution at pH 2, it is found the theoretical predicted spectra agree well with those of the experiment while seven water molecules are aggregated around the creatinine. Additionally, the tautomeric equilibrium of creatinine in aqueous solutions was studied and two tautomers are found to coexist by comparing its experimental and calculated Raman spectra. A water dimer being used to solvate creatinine would make the thermodynamic energy favor convert from the imino tautomer to the amino tautomer. Besides, the molecular electrostatic potential (MEP) analysis of the creatinine further confirms their discrepancies of typical experimental Raman spectra at different pH values.

  3. Density, thermal expansion coefficient and viscosity of sodium tetraborate (borax)-UO2 and of sodium metaborate-UO2 solutions at high temperatures

    International Nuclear Information System (INIS)

    Dalle Donne, M.; Dorner, S.; Roth, A.

    1983-01-01

    Measurements have been performed of the density, of the volumetric thermal expansion coefficient and of the viscosity of liquid sodium tetraborate (borax) and of sodium metaborate both pure and with two different amounts of UO 2 dissolved in each. The viscosity measurements have been performed for the solution of sodium tetraborate with UO 2 and CeO 2 , and with CeO 2 only as well. These data are required for the design of core-catchers based on sodium borates. The density measurements have been performed with the buoyancy method in the temperature range from 825 0 C to 1300 0 C, the viscosity measurements in the temperature range 700-1250 0 C with a modified Haake viscosity balance. The balance was previously calibrated at ambient temperature with a standard calibration liquid and at high temperatures, with data for pure borax available from the literature. (orig.)

  4. Densities and apparent molar volumes for aqueous solutions of HNO3-UO2(NO3)2 at 298.15 K

    International Nuclear Information System (INIS)

    Yang-Xin Yu; Tie-Zhu Bao; Guang-Hua Gao; Yi-Gui Li

    1999-01-01

    In order to obtain the exact information of atomic number density in the ternary system of HNO 3 -UO 2 (NO 3 ) 2 -H 2 O, the densities were measured with an Anton-Paar DMA60/602 digital density meter thermostated at 298.15±0.01 K. The apparent molal volumes for the systems were calculated from the experimental data. The present measured apparent molar volumes have been fitted to the Pitzer ion-interaction model, which provides an adequate representation of the experimental data for mixed aqueous electrolyte solutions up to 6.2 mol/kg ionic strength. This fit yields θ V , and Ψ V , which are the first derivatives with respect to pressure of the mixing interaction parameters for the excess free energy. With the mixing parameters θ V , and ψ V , the densities and apparent molar volumes of the ternary system studied in this work can be calculated with good accuracy, as shown by the standard deviations. (author)

  5. Ultrasound assisted destruction of estrogen hormones in aqueous solution: Effect of power density, power intensity and reactor configuration

    International Nuclear Information System (INIS)

    Suri, Rominder P.S.; Nayak, Mohan; Devaiah, Uthappa; Helmig, Edward

    2007-01-01

    There are many reports documenting the adverse effects, such as feminization of fish, of estrogen hormones in the environment. One of the major sources of these compounds is from municipal wastewater effluents. The biological processes at municipal wastewater treatment plants cannot completely remove these compounds. This paper discusses the use of ultrasound to destroy estrogen compounds in water. The study examines the effect of ultrasound power density and power intensity on the destruction of various estrogen compounds which include: 17α-estradiol, 17β-estradiol, estrone, estriol, equilin, 17α-dihydroequilin, 17α-ethinyl estradiol and norgestrel. These tests were conducted in single component batch and flow through reactors using 0.6, 2 and 4 kW ultrasound sources. The sonolysis process produced 80-90% destruction of individual estrogens at initial concentration of 10 μg/L within 40-60 min of contact time. First order rate constants for the individual compounds under different conditions are presented. The estrogen degradation rates increase with increase in power intensity. However, the energy efficiency of the reactor was higher at lower power density. The 4 kW ultrasound reactor was more energy efficient compared to the 0.6 and 2 kW sonicators

  6. 50-Fold EQE Improvement up to 6.27% of Solution-Processed All-Inorganic Perovskite CsPbBr3 QLEDs via Surface Ligand Density Control.

    Science.gov (United States)

    Li, Jianhai; Xu, Leimeng; Wang, Tao; Song, Jizhong; Chen, Jiawei; Xue, Jie; Dong, Yuhui; Cai, Bo; Shan, Qingsong; Han, Boning; Zeng, Haibo

    2017-02-01

    Solution-processed CsPbBr 3 quantum-dot light-emitting diodes with a 50-fold external quantum efficiency improvement (up to 6.27%) are achieved through balancing surface passivation and carrier injection via ligand density control (treating with hexane/ethyl acetate mixed solvent), which induces the coexistence of high levels of ink stability, photoluminescence quantum yields, thin-film uniformity, and carrier-injection efficiency. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. High-Order Ca(II)-Chloro Complexes in Mixed CaCl2-LiCl Aqueous Solution: Insights from Density Functional Theory and Molecular Dynamics Simulations.

    Science.gov (United States)

    Wang, Yu-Lin; Wang, Ying; Yi, Hai-Bo

    2016-07-21

    In this study, the structural characteristics of high-coordinated Ca-Cl complexes present in mixed CaCl2-LiCl aqueous solution were investigated using density functional theory (DFT) and molecular dynamics (MD) simulations. The DFT results show that [CaClx](2-x) (x = 4-6) clusters are quite unstable in the gas phase, but these clusters become metastable when hydration is considered. The MD simulations show that high-coordinated Ca-chloro complexes are possible transient species that exist for up to nanoseconds in concentrated (11.10 mol·kg(-1)) Cl(-) solution at 273 and 298 K. As the temperature increases to 423 K, these high-coordinated structures tend to disassociate and convert into smaller clusters and single free ions. The presence of high-order Ca-Cl species in concentrated LiCl solution can be attributed to their enhanced hydration shell and the inadequate hydration of ions. The probability of the [CaClx](2-x)aq (x = 4-6) species being present in concentrated LiCl solution decreases greatly with increasing temperature, which also indicates that the formation of the high-coordinated Ca-Cl structure is related to its hydration characteristics.

  8. Electronic structures and reactivities of iodinating agents in the gas phase and in solutions: a density functional study

    International Nuclear Information System (INIS)

    Filimonov, V.D.; Krasnokutskaya, E.L.; Lesina, Yu.A.; Chajkovskij, V.K.; Poleshchuk, O.X.

    2006-01-01

    The electronic and spatial structures of a broad spectrum of neutral compounds with X-Hal (X = N, O, Cl; Hal = Cl, Br, I) bonds and their protonated forms and of different electronic states of triiodide cation, I 3 + , were determined from density functional B3LYP/6-311G* quantum-chemical calculations. The effects of the structure of these compounds on the parameters of electrophilic reactivity were revealed and the thermochemical characteristics of homolytic and heterolytic X-Hal bond dissociation and of iodine transfer in hydroxyl-containing solvents were calculated. Due to low homolytic bond dissociation energies of X-I, the formation of molecular iodine and triiodide cation I 3 + becomes thermodynamically favorable and the cation should act as iodinating agent alternative to acylhypoiodites and N-iodoimides. The solvation effects of MeOH and CH 2 Cl 2 on the X-Hal bond homolysis and heterolysis were determined using the PCM model [ru

  9. On lower order strain gradient plasticity theories

    DEFF Research Database (Denmark)

    Niordson, Christian Frithiof; Hutchinson, J. W.

    2002-01-01

    By way of numerical examples, this paper explores the nature of solutions to a class of strain gradient plasticity theories that employ conventional stresses, equilibrium equations and boundary conditions. Strain gradients come into play in these modified conventional theories only to alter...

  10. Spectrum of hydrodynamic volumes and sizes of macromolecules of linear polyelectrolytes versus their charge density in salt-free aqueous solutions.

    Science.gov (United States)

    Pavlov, Georges M; Dommes, Olga A; Okatova, Olga V; Gavrilova, Irina I; Panarin, Evgenii F

    2018-04-18

    Molecular characteristics of statistical copolymers based on hydrophilic poly(N-methyl-N-vinylacetamide) have been monitored throughout the entire possible range of charge density from 1.5 to 39 mol%. Different trends in the dependence of intrinsic viscosity on the average charge density of polymer chains at minimal ionic strength were revealed. A new parameter, lqq/Abare, describing this behavior was proposed (lqq is the average distance between the neighboring charges along the chain, and Abare is the statistical segment length of a non-charged homologue). For polyelectrolyte chains, this parameter allows the regions of charge density values where electrostatic long-range or short-range interactions dominate to be indicated. Two homologous series of copolymers were characterized by methods of molecular hydrodynamics under conditions of suppressed charge effects. Intrinsic viscosity in salt-free solutions characterizing an individual macromolecule was estimated by a method proposed earlier [Pavlov et al., Russ. J. Appl. Chem., 2006, 79, 1407-1412].

  11. New evolution equations for the joint response-excitation probability density function of stochastic solutions to first-order nonlinear PDEs

    Science.gov (United States)

    Venturi, D.; Karniadakis, G. E.

    2012-08-01

    By using functional integral methods we determine new evolution equations satisfied by the joint response-excitation probability density function (PDF) associated with the stochastic solution to first-order nonlinear partial differential equations (PDEs). The theory is presented for both fully nonlinear and for quasilinear scalar PDEs subject to random boundary conditions, random initial conditions or random forcing terms. Particular applications are discussed for the classical linear and nonlinear advection equations and for the advection-reaction equation. By using a Fourier-Galerkin spectral method we obtain numerical solutions of the proposed response-excitation PDF equations. These numerical solutions are compared against those obtained by using more conventional statistical approaches such as probabilistic collocation and multi-element probabilistic collocation methods. It is found that the response-excitation approach yields accurate predictions of the statistical properties of the system. In addition, it allows to directly ascertain the tails of probabilistic distributions, thus facilitating the assessment of rare events and associated risks. The computational cost of the response-excitation method is order magnitudes smaller than the one of more conventional statistical approaches if the PDE is subject to high-dimensional random boundary or initial conditions. The question of high-dimensionality for evolution equations involving multidimensional joint response-excitation PDFs is also addressed.

  12. Thermodynamic study of aqueous solutions of polyelectrolytes of low and medium charge density without added salt by direct measurement of osmotic pressure

    Energy Technology Data Exchange (ETDEWEB)

    Nagy, Miklos, E-mail: miklosnagy@chem.elte.h [Institute of Chemistry, Department of Physical Chemistry, Laboratory for Colloid and Supermolecular Structures, L. Eoetvoes University, P.O. Box 32 H-1518 Budapest 112 (Hungary)

    2010-03-15

    A special block osmometer has been constructed and applied to a systematic study of poly (vinyl alcohol and vinyl sulphate ester) (PVS) sodium salts in dilute and moderately concentrated salt free aqueous solutions. In order to avoid surely ionic contamination all parts of the equipment that can contact with the polyelectrolyte solutions were made of different kinds of plastics and glass. The pressure range spans from (50 to 1.3 . 10{sup 5}) Pa. The measuring system was found to be appropriate for determination of the molar mass of water soluble polymers, too. Above a certain analytical density of dissociable groups (ADDG) an ion size dependent transition was observed on the reduced osmotic pressure vs. concentration curves. The analysis of the osmotic pressure data has clearly revealed that the dependence of the degree of dissociation on ADDG calculated at zero polyelectrolyte concentration contradicts to 'ion condensation' theory. With increasing polyelectrolyte concentration the degree of dissociation decreased rather steeply but at very low concentrations sharp maximums appeared due either to the change in conformation of these charged macromolecules, or formation of dynamic clusters induced by salting out of neutral parts of the macromolecules by the ionized groups. The applicability of the scaling concept as well as the many possible ways of characterization of non-ideality of polyelectrolyte solutions will be discussed in detail.

  13. Classical convective energy transport in large gradient regions

    International Nuclear Information System (INIS)

    Hinton, F.L.

    1996-01-01

    Large gradients in density and temperature occur near the edge in H-mode plasmas and in the core of tokamak plasmas with negative central shear. Transport in these regions may be comparable to neoclassical. Standard neoclassical theory does not apply when the gradient lengths are comparable to an ion orbit excursion, or banana width. A basic question for neoclassical transport in large gradient regions is: do ion-ion collisions drive particle transport? Near the plasma edge in H-mode, where ion orbit loss requires that the ion energy transport be convective, neoclassical particle transport due to ion-ion collisions may play an important role. In negative central shear plasmas, where transport is inferred to be near neoclassical, it is important to have accurate predictions for the neoclassical rate of energy and particle transport. A simple 2-D slab model has been used, with a momentum-conserving collision operator, to show that ion-ion collisions do drive particle transport. When the gradients are large, the open-quotes field particleclose quotes contribution to the particle flux is non-local, and does not cancel the open-quotes test particleclose quotes contribution, which is local. Solutions of the kinetic equation are found which show that the steepness of the density profile, for increasing particle flux, is limited by orbit averaging. The gradient length is limited by the thermal gyroradius, and the convective energy flux is independent of ion temperature. This will allow an ion thermal runaway to occur, if there are no other ion energy loss mechanisms

  14. (Nbx, Zr1-x)4AlC3 MAX Phase Solid Solutions: Processing, Mechanical Properties, and Density Functional Theory Calculations.

    Science.gov (United States)

    Lapauw, Thomas; Tytko, Darius; Vanmeensel, Kim; Huang, Shuigen; Choi, Pyuck-Pa; Raabe, Dierk; Caspi, El'ad N; Ozeri, Offir; To Baben, Moritz; Schneider, Jochen M; Lambrinou, Konstantina; Vleugels, Jozef

    2016-06-06

    The solubility of zirconium (Zr) in the Nb4AlC3 host lattice was investigated by combining the experimental synthesis of (Nbx, Zr1-x)4AlC3 solid solutions with density functional theory calculations. High-purity solid solutions were prepared by reactive hot pressing of NbH0.89, ZrH2, Al, and C starting powder mixtures. The crystal structure of the produced solid solutions was determined using X-ray and neutron diffraction. The limited Zr solubility (maximum of 18.5% of the Nb content in the host lattice) in Nb4AlC3 observed experimentally is consistent with the calculated minimum in the energy of mixing. The lattice parameters and microstructure were evaluated over the entire solubility range, while the chemical composition of (Nb0.85, Zr0.15)4AlC3 was mapped using atom probe tomography. The hardness, Young's modulus, and fracture toughness at room temperature as well as the high-temperature flexural strength and E-modulus of (Nb0.85, Zr0.15)4AlC3 were investigated and compared to those of pure Nb4AlC3. Quite remarkably, an appreciable increase in fracture toughness was observed from 6.6 ± 0.1 MPa/m(1/2) for pure Nb4AlC3 to 10.1 ± 0.3 MPa/m(1/2) for the (Nb0.85, Zr0.15)4AlC3 solid solution.

  15. Solution Structures of Highly Active Molecular Ir Water-Oxidation Catalysts from Density Functional Theory Combined with High-Energy X-ray Scattering and EXAFS Spectroscopy.

    Science.gov (United States)

    Yang, Ke R; Matula, Adam J; Kwon, Gihan; Hong, Jiyun; Sheehan, Stafford W; Thomsen, Julianne M; Brudvig, Gary W; Crabtree, Robert H; Tiede, David M; Chen, Lin X; Batista, Victor S

    2016-05-04

    The solution structures of highly active Ir water-oxidation catalysts are elucidated by combining density functional theory, high-energy X-ray scattering (HEXS), and extended X-ray absorption fine structure (EXAFS) spectroscopy. We find that the catalysts are Ir dimers with mono-μ-O cores and terminal anionic ligands, generated in situ through partial oxidation of a common catalyst precursor. The proposed structures are supported by (1)H and (17)O NMR, EPR, resonance Raman and UV-vis spectra, electrophoresis, etc. Our findings are particularly valuable to understand the mechanism of water oxidation by highly reactive Ir catalysts. Importantly, our DFT-EXAFS-HEXS methodology provides a new in situ technique for characterization of active species in catalytic systems.

  16. On the Theory of Solitons of Fluid Pressure and Solute Density in Geologic Porous Media, with Applications to Shale, Clay and Sandstone

    Science.gov (United States)

    Caserta, A.; Kanivetsky, R.; Salusti, E.

    2017-11-01

    We here analyze a new model of transients of pore pressure p and solute density ρ in geologic porous media. This model is rooted in the nonlinear wave theory, its focus is on advection and effect of large pressure jumps on strain. It takes into account nonlinear and also time-dependent versions of the Hooke law about stress, rate and strain. The model solutions strictly relate p and ρ evolving under the effect of a strong external stress. As a result, the presence of quick and sharp transients in low permeability rocks is unveiled, i.e., the nonlinear "Burgers solitons". We, therefore, show that the actual transport process in porous rocks for large signals is not only the linear diffusion, but also a solitons presence could control the process. A test of a presence of solitons is applied to Pierre shale, Bearpaw shale, Boom clay and Oznam-Mugu silt and clay. An application about the presence of solitons for nuclear waste disposal and salt water intrusions is also discussed. Finally, in a kind of "theoretical experiment" we show that solitons could also be present in higher permeability rocks (Jordan and St. Peter sandstones), thus supporting the idea of a possible occurrence of osmosis also in sandstones.

  17. Molecular Interactions in 1,4-Dioxane, Tetrahydrofuran, and Ethyl Acetate Solutions of 1,1'-Bis(4-isopropyloxyacetylphenoxy)cyclohexane on Reological, Density, and Acoustic Behavior

    Science.gov (United States)

    Dhaduk, B. B.; Patel, Ch. B.; Parsania, P. H.

    2017-12-01

    Various thermo-acoustical parameters of 1,4-dioxane, tetrahydofuran and ethylacetae solutions of 1,1'-bis(4-isopropyloxyacetylphenoxy)cyclohexane were determined at different temperatures using density, viscosity and ultrasonic speed and correlated with concentration. Linear increase of ultrasonic speed, specific acoustical impedance, Rao's molar sound function, Van der Waals constant and free volume with concentration C and decreased with temperature. Linear decrease of adiabatic compressibility, internal pressure, intermolecular free path length, classical absorption coefficient, and viscous relaxation time with concentration and increased with temperature indicated existence of strong molecular interactions in solutions and further supported by positive values of solvation number. Gibbs free energy of activation decreased with C in all three systems. It is decreased with T in 1,4-dioxane, while increased in tetrahydrofuran and ethyl acetate. Both enthalpy of activation and entropy of activation are increased gradually with C in 1,4-dioxane, while they are negative and remained practically independent of concentration in 1,4-dioxane and tetrahydofuran systems.

  18. Comparative density functional study of the complexes [UO2(CO3)3]4- and [(UO2)3(CO3)6]6- in aqueous solution.

    Science.gov (United States)

    Schlosser, Florian; Moskaleva, Lyudmila V; Kremleva, Alena; Krüger, Sven; Rösch, Notker

    2010-06-28

    With a relativistic all-electron density functional method, we studied two anionic uranium(VI) carbonate complexes that are important for uranium speciation and transport in aqueous medium, the mononuclear tris(carbonato) complex [UO(2)(CO(3))(3)](4-) and the trinuclear hexa(carbonato) complex [(UO(2))(3)(CO(3))(6)](6-). Focusing on the structures in solution, we applied for the first time a full solvation treatment to these complexes. We approximated short-range effects by explicit aqua ligands and described long-range electrostatic interactions via a polarizable continuum model. Structures and vibrational frequencies of "gas-phase" models with explicit aqua ligands agree best with experiment. This is accidental because the continuum model of the solvent to some extent overestimates the electrostatic interactions of these highly anionic systems with the bulk solvent. The calculated free energy change when three mono-nuclear complexes associate to the trinuclear complex, agrees well with experiment and supports the formation of the latter species upon acidification of a uranyl carbonate solution.

  19. A new solution-adaptive grid generation method for transonic airfoil flow calculations

    Science.gov (United States)

    Nakamura, S.; Holst, T. L.

    1981-01-01

    The clustering algorithm is controlled by a second-order, ordinary differential equation which uses the airfoil surface density gradient as a forcing function. The solution to this differential equation produces a surface grid distribution which is automatically clustered in regions with large gradients. The interior grid points are established from this surface distribution by using an interpolation scheme which is fast and retains the desirable properties of the original grid generated from the standard elliptic equation approach.

  20. SEPARATION OF X-BEARING BOVINE SPERM BY CENTRIFUGATION IN CONTINUOUS PERCOLL AND OPTIPREP DENSITY GRADIENT: EFFECT IN SPERM VIABILITY AND IN VITRO EMBRYO PRODUCTION SEPARAÇÃO DE ESPERMATOZOIDES PORTADORES DO CROMOSSOMO X BOVINO POR CENTRIFUGAÇÃO EM GRADIENTE DE DENSIDADE CONTÍNUO DE PERCOLL E OPTIPREP: EFEITO SOBRE A VIABILIDADE ESPERMÁTICA E NA PRODUÇÃO IN VITRO DE EMBRIÕES

    Directory of Open Access Journals (Sweden)

    Aline Costa Lucio

    2009-07-01

    Full Text Available

    The aim of this study was to separate X-bearing bovine sperm by continuous Percoll and OptiPrep density gradients and to validate the sexing of resultant in vitro produced embryos by Polimerase Chain Reaction (PCR. Frozen/thawed sperm was layered on density gradients which were previously prepared in polystyrene tubes, 24 h before procedures and maintained at 4 °C. The tubes were centrifuged at 500 x g for 15 min at 22 °C. Supernatants were gently aspirated and the sperm recovered from the bottom of the tubes. Viability and integrity of sperm were evaluated by Trypan Blue/Giemsa stain. Cleavage and blastocyst rates were determined by in vitro production of embryos and PCR was performed for identification of the embryos’ genetic sex. No damage in viability and acrossomal integrity and in cleavage and blastocyst rates was found in the Percoll and OptiPrep treatment compared to the non-centrifuged group (P>0.05. The percentage of female embryos in the Percoll and OptiPrep group was 63.0 and 47.6%, respectively. The female embryos in control group were 48.7%. A sexual deviation in the Percoll density gradient was achieved without reduction of sperm viability and in vitro production rates.

    KEY WORDS: Bovine, centrifugation, in vitro production of embryos, PCR, X-bearing sperm.

    O objetivo deste estudo foi separar espermatozoides bovinos portadores do cromossomo X pela centrifugação em gradiente de densidade contínuo de Percoll e OptiPrep, e validar a sexagem pela reação em cadeia da polimerase (PCR, dos embriões produzidos in vitro. Para a sexagem, espermatozoides descongelados foram depositados nos gradientes de densidade, previamente preparados, em tubos de poliestireno, 24 horas antes da sexagem e mantidos a 4°C. Centrifugou-se a 500 x g por quinze minutos a 22°C. Os sobrenadantes foram aspirados, e os espermatozoides recuperados do

  1. Thermodynamic mixing properties of the UO{sub 2}–HfO{sub 2} solid solution: Density functional theory and Monte Carlo simulations

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Ke, E-mail: keyuan@umich.edu [Department of Earth and Environmental Sciences, University of Michigan, Ann Arbor, MI 48109 (United States); Ewing, Rodney C. [Department of Earth and Environmental Sciences, University of Michigan, Ann Arbor, MI 48109 (United States); Department of Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, MI 48109 (United States); Department of Materials Science and Engineering, University of Michigan, Ann Arbor, MI 48109 (United States); Becker, Udo [Department of Earth and Environmental Sciences, University of Michigan, Ann Arbor, MI 48109 (United States)

    2015-03-15

    HfO{sub 2} is a neutron absorber and has been mechanically mixed with UO{sub 2} in nuclear fuel in order to control the core power distribution. During nuclear fission, the temperature at the center of the fuel pellet can reach above 1300 K, where hafnium may substitute uranium and form the binary solid solution of UO{sub 2}–HfO{sub 2}. UO{sub 2} adopts the cubic fluorite structure, but HfO{sub 2} can occur in monoclinic, tetragonal, and cubic structures. The distribution of Hf and U ions in the UO{sub 2}–HfO{sub 2} binary and its atomic structure influence the thermal conductivity and melting point of the fuel. However, experimental data on the UO{sub 2}–HfO{sub 2} binary are limited. Therefore, the enthalpies of mixing of the UO{sub 2}–HfO{sub 2} binary with three different structures were calculated in this study using density functional theory and subsequent Monte Carlo simulations. The free energy of mixing was obtained from thermodynamic integration of the enthalpy of mixing over temperature. From the ΔG of mixing, a phase diagram of the binary was obtained. The calculated UO{sub 2}–HfO{sub 2} binary forms extensive solid solution across the entire compositional range, but there are a variety of possible exsolution phenomena associated with the different HfO{sub 2} polymorphs. As the structure of the HfO{sub 2} end member adopts lower symmetry and becomes less similar to cubic UO{sub 2}, the miscibility gap of the phase diagram expands, accompanied by an increase in cell volume by 7–10% as the structure transforms from cubic to monoclinic. Close to the UO{sub 2} end member, which is relevant to the nuclear fuel, the isometric uranium-rich solid solutions exsolve as the fuel cools, and there is a tendency to form the monoclinic hafnium-rich phase in the matrix of the isometric, uranium-rich solid solution phase.

  2. Application of the Galerkin's method to the solution of the one-dimensional integral transport equation: generalized collision probabilities taken in account the flux gradient and the linearly anisotropic scattering

    International Nuclear Information System (INIS)

    Sanchez, Richard.

    1975-04-01

    For the one-dimensional geometries, the transport equation with linearly anisotropic scattering can be reduced to a single integral equation; this is a singular-kernel FREDHOLM equation of the second kind. When applying a conventional projective method that of GALERKIN, to the solution of this equation the well-known collision probability algorithm is obtained. Piecewise polynomial expansions are used to represent the flux. In the ANILINE code, the flux is supposed to be linear in plane geometry and parabolic in both cylindrical and spherical geometries. An integral relationship was found between the one-dimensional isotropic and anisotropic kernels; this allows to reduce the new matrix elements (issuing from the anisotropic kernel) to classic collision probabilities of the isotropic scattering equation. For cylindrical and spherical geometries used an approximate representation of the current was used to avoid an additional numerical integration. Reflective boundary conditions were considered; in plane geometry the reflection is supposed specular, for the other geometries the isotropic reflection hypothesis has been adopted. Further, the ANILINE code enables to deal with an incoming isotropic current. Numerous checks were performed in monokinetic theory. Critical radii and albedos were calculated for homogeneous slabs, cylinders and spheres. For heterogeneous media, the thermal utilization factor obtained by this method was compared with the theoretical result based upon a formula by BENOIST. Finally, ANILINE was incorporated into the multigroup APOLLO code, which enabled to analyse the MINERVA experimental reactor in transport theory with 99 groups. The ANILINE method is particularly suited to the treatment of strongly anisotropic media with considerable flux gradients. It is also well adapted to the calculation of reflectors, and in general, to the exact analysis of anisotropic effects in large-sized media [fr

  3. Gradient pre-emphasis to counteract first-order concomitant fields on asymmetric MRI gradient systems.

    Science.gov (United States)

    Tao, Shengzhen; Weavers, Paul T; Trzasko, Joshua D; Shu, Yunhong; Huston, John; Lee, Seung-Kyun; Frigo, Louis M; Bernstein, Matt A

    2017-06-01

    To develop a gradient pre-emphasis scheme that prospectively counteracts the effects of the first-order concomitant fields for any arbitrary gradient waveform played on asymmetric gradient systems, and to demonstrate the effectiveness of this approach using a real-time implementation on a compact gradient system. After reviewing the first-order concomitant fields that are present on asymmetric gradients, we developed a generalized gradient pre-emphasis model assuming arbitrary gradient waveforms to counteract their effects. A numerically straightforward, easily implemented approximate solution to this pre-emphasis problem was derived that was compatible with the current hardware infrastructure of conventional MRI scanners for eddy current compensation. The proposed method was implemented on the gradient driver subsystem, and its real-time use was tested using a series of phantom and in vivo data acquired from two-dimensional Cartesian phase-difference, echo-planar imaging, and spiral acquisitions. The phantom and in vivo results demonstrated that unless accounted for, first-order concomitant fields introduce considerable phase estimation error into the measured data and result in images with spatially dependent blurring/distortion. The resulting artifacts were effectively prevented using the proposed gradient pre-emphasis. We have developed an efficient and effective gradient pre-emphasis framework to counteract the effects of first-order concomitant fields of asymmetric gradient systems. Magn Reson Med 77:2250-2262, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

  4. Fabrication of CTP/HAp novel gradient composite bioceramics

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Calcium-titanium-phosphate(CaTi4(PO4)6, CTP)/hydroxyapatite(HAp) is a kind of novel gradient composite bioceramics,which has excellent biocompatibility and bioactivity. CTP ceramic film was synthesized one-step on the surface of titanium using micro-arc oxidation(MAO). The CTP/HAp composite bioceramics were prepared by soaking CTP film in HAp inducing solution for several days. XRD, SEM and EDX were used to characterize the bio-ceramic films phase and composition, morphology and component. The influence of electrolyte molar ratio of Ca to P and the current density to the synthesis of film was studied, and the optimized value of parameters above were 1/6 and 15A/dm2. The parameters of HAp inducing solution, such as component and pH value were also studied and the best pH value which is adjusted by NaOH is 6.4.

  5. Growth and Accumulation of Secondary Metabolites in Perilla as Affected by Photosynthetic Photon Flux Density and Electrical Conductivity of the Nutrient Solution

    Directory of Open Access Journals (Sweden)

    Na Lu

    2017-05-01

    Full Text Available The global demand for medicinal plants is increasing. The quality of plants grown outdoors, however, is difficult to control. Myriad environmental factors influence plant growth and directly impact biosynthetic pathways, thus affecting the secondary metabolism of bioactive compounds. Plant factories use artificial lighting to increase the quality of medicinal plants and stabilize production. Photosynthetic photon flux density (PPFD and electrical conductivity (EC of nutrient solutions are two important factors that substantially influence perilla (Perilla frutescens, Labiatae plant growth and quality. To identify suitable levels of PPFD and EC for perilla plants grown in a plant factory, the growth, photosynthesis, and accumulation of secondary metabolites in red and green perilla plants were measured at PPFD values of 100, 200, and 300 μmol m-2 s-1 in nutrient solutions with EC values of 1.0, 2.0, and 3.0 dS m-1. The results showed significant interactive effects between PPFD and EC for both the fresh and dry weights of green perilla, but not for red perilla. The fresh and dry weights of shoots and leafy areas were affected more by EC than by PPFD in green perilla, whereas they were affected more by PPFD than by EC in red perilla. Leaf net photosynthetic rates were increased as PPFD increased in both perilla varieties, regardless of EC. The perillaldehyde concentration (mg g-1 in red perilla was unaffected by the treatments, but accumulation in plants (mg per plant was significantly enhanced as the weight of dry leaves increased. Perillaldehyde concentrations in green perilla showed significant differences between combinations of the highest PPFD with the highest EC and the lowest PPFD with the lowest EC. Rosmarinic acid concentration (mg g-1 was increased in a combination of low EC and high PPFD conditions. Optimal cultivation conditions of red and green perilla in plant factory will be discussed in terms of plant growth and contents of

  6. The effect of glycerin solution density and viscosity on vibration amplitude of oblique different piezoelectric MC near the surface in 3D modeling

    Science.gov (United States)

    Korayem, A. H.; Abdi, M.; Korayem, M. H.

    2018-06-01

    The surface topography in nanoscale is one of the most important applications of AFM. The analysis of piezoelectric microcantilevers vibration behavior is essential to improve the AFM performance. To this end, one of the appropriate methods to simulate the dynamic behavior of microcantilever (MC) is a numerical solution with FEM in the 3D modeling using COMSOL software. The present study aims to simulate different geometries of the four-layered AFM piezoelectric MCs in 2D and 3D modeling in a liquid medium using COMSOL software. The 3D simulation was done in a spherical container using FSI domain in COMSOL. In 2D modeling by applying Hamilton's Principle based on Euler-Bernoulli Beam theory, the governing motion equation was derived and discretized with FEM. In this mode, the hydrodynamic force was assumed with a string of spheres. The effect of this force along with the squeezed-film force was considered on MC equations. The effect of fluid density and viscosity on the MC vibrations that immersed in different glycerin solutions was investigated in 2D and 3D modes and the results were compared with the experimental results. The frequencies and time responses of MC close to the surface were obtained considering tip-sample forces. The surface topography of MCs different geometries were compared in the liquid medium and the comparison was done in both tapping and non-contact mode. Various types of surface roughness were considered in the topography for MC different geometries. Also, the effect of geometric dimensions on the surface topography was investigated. In liquid medium, MC is installed at an oblique position to avoid damaging the MC due to the squeezed-film force in the vicinity of MC surface. Finally, the effect of MC's angle on surface topography and time response of the system was investigated.

  7. Ion temperature gradient instability

    International Nuclear Information System (INIS)

    1989-01-01

    Anomalous ion thermal conductivity remains an open physics issue for the present generation of high temperature Tokamaks. It is generally believed to be due to Ion Temperature Gradient Instability (η i mode). However, it has been difficult, if not impossible to identify this instability and study the anomalous transport due to it, directly. Therefore the production and identification of the mode is pursued in the simpler and experimentally convenient configuration of the Columbia Linear Machine (CLM). CLM is a steady state machine which already has all the appropriate parameters, except η i . This parameter is being increased to the appropriate value of the order of 1 by 'feathering' a tungsten screen located between the plasma source and the experimental cell to flatten the density profile and appropriate redesign of heating antennas to steepen the ion temperature profile. Once the instability is produced and identified, a thorough study of the characteristics of the mode can be done via a wide range of variation of all the critical parameters: η i , parallel wavelength, etc

  8. Quasistatic nonlinear viscoelasticity and gradient flows

    OpenAIRE

    Ball, John M.; Şengül, Yasemin

    2014-01-01

    We consider the equation of motion for one-dimensional nonlinear viscoelasticity of strain-rate type under the assumption that the stored-energy function is λ-convex, which allows for solid phase transformations. We formulate this problem as a gradient flow, leading to existence and uniqueness of solutions. By approximating general initial data by those in which the deformation gradient takes only finitely many values, we show that under suitable hypotheses on the stored-energy function the d...

  9. Computational Strain Gradient Crystal Plasticity

    DEFF Research Database (Denmark)

    Niordson, Christian Frithiof; Kysar, Jeffrey W.

    2011-01-01

    A model for strain gradient crystal visco-plasticity is formulated along the lines proposed by Fleck andWillis (2009) for isotropic plasticity. Size-effects are included in the model due to the addition of gradient terms in both the free energy as well as through a dissipation potential. A finite...... element solution method is presented, which delivers the slip-rate field and the velocity-field based on two minimum principles. Some plane deformation problems relevant for certain specific orientations of a face centered cubic crystal under plane loading conditions are studied, and effective in......-plane parameters are developed based on the crystallographic properties of the material. The problem of cyclic shear of a single crystal between rigid platens is studied as well as void growth of a cylindrical void....

  10. Aluminum and gallium nuclei as microscopic probes for pulsed electron-nuclear double resonance diagnostics of electric-field gradient and spin density in garnet ceramics doped with paramagnetic ions

    Science.gov (United States)

    Uspenskaya, Yu. A.; Mamin, G. V.; Babunts, R. A.; Badalyan, A. G.; Edinach, E. V.; Asatryan, H. R.; Romanov, N. G.; Orlinskii, S. B.; Khanin, V. M.; Wieczorek, H.; Ronda, C.; Baranov, P. G.

    2018-03-01

    The presence of aluminum and gallium isotopes with large nuclear magnetic and quadrupole moments in the nearest environment of impurity ions Mn2+ and Ce3+ in garnets made it possible to use hyperfine and quadrupole interactions with these ions to determine the spatial distribution of the unpaired electron and the gradient of the electric field at the sites of aluminum and gallium in the garnet lattice. High-frequency (94 GHz) electron spin echo detected electron paramagnetic resonance and electron-nuclear double resonance measurements have been performed. Large difference in the electric field gradient and quadrupole splitting at octahedral and tetrahedral sites allowed identifying the positions of aluminum and gallium ions in the garnet lattice and proving that gallium first fills tetrahedral positions in mixed aluminum-gallium garnets. This should be taken into account in the development of garnet-based scintillators and lasers. It is shown that the electric field gradient at aluminum nuclei near Mn2+ possessing an excess negative charge in the garnet lattice is ca. 2.5 times larger than on aluminum nuclei near Ce3+.

  11. Density functional theory-based prediction of the formation constants of complexes of ammonia in aqueous solution: indications of the role of relativistic effects in the solution chemistry of gold(I).

    Science.gov (United States)

    Hancock, Robert D; Bartolotti, Libero J

    2005-10-03

    A prediction of the formation constants (log K1) for complexes of metal ions with a single NH3 ligand in aqueous solution, using quantum mechanical calculations, is reported. DeltaG values at 298 K in the gas phase for eq 1 (DeltaG(DFT)) were calculated for 34 metal ions using density functional theory (DFT), with the expectation that these would correlate with the free energy of complex formation in aqueous solution (DeltaG(aq)). [M(H2O)6]n+(g) + NH(3)(g) = [M(H2O)5NH3]n+(g) + H2O(g) (eq 1). The DeltaG(aq) values include the effects of complex changes in solvation on complex formation, which are not included in eq 1. It was anticipated that such changes in solvation would be constant or vary systematically with changes in the log K(1) value for different metal ions; therefore, simple correlations between DeltaG(DFT) and DeltaG(aq) were sought. The bulk of the log K1(NH3) values used to calculate DeltaG(aq) were not experimental, but estimated previously (Hancock 1978, 1980) from a variety of empirical correlations. Separate linear correlations between DeltaG(DFT) and DeltaG(aq) for metal ions of different charges (M2+, M3+, and M4+) were found. In plots of DeltaG(DFT) versus DeltaG(aq), the slopes ranged from 2.201 for M2+ ions down to 1.076 for M4+ ions, with intercepts increasing from M2+ to M4+ ions. Two separate correlations occurred for the M3+ ions, which appeared to correspond to small metal ions with a coordination number (CN) of 6 and to large metal ions with a higher CN in the vicinity of 7-9. The good correlation coefficients (R) in the range of 0.97-0.99 for all these separate correlations suggest that the approach used here may be the basis for future predictions of aqueous phase chemistry that would otherwise be experimentally inaccessible. Thus, the log K1(NH3) value for the transuranic Lr3+, which has a half-life of 3.6 h in its most stable isotope, is predicted to be 1.46. These calculations should also lead to a greater insight into the factors

  12. Three gradients and the perception of flat and curved surfaces.

    Science.gov (United States)

    Cutting, J E; Millard, R T

    1984-06-01

    Researchers of visual perception have long been interested in the perceived slant of a surface and in the gradients that purportedly specify it. Slant is the angle between the line of sight and the tangent to the planar surface at any point, also called the surface normal. Gradients are the sources of information that grade, or change, with visual angle as one looks from one's feet upward to the horizon. The present article explores three gradients--perspective, compression, and density--and the phenomenal impression of flat and curved surfaces. The perspective gradient is measured at right angles to the axis of tilt at any point in the optic array; that is, when looking down a hallway at the tiles of a floor receding in the distance, perspective is measured by the x-axis width of each tile projected on the image plane orthogonal to the line of sight. The compression gradient is the ratio of y/x axis measures on the projected plane. The density gradient is measured by the number of tiles per unit solid visual angle. For flat surfaces and many others, perspective and compression gradients decrease with distance, and the density gradient increases. We discuss the manner in which these gradients change for various types of surfaces. Each gradient is founded on a different assumption about textures on the surfaces around us. In Experiment 1, viewers assessed the three-dimensional character of projections of flat and curved surfaces receding in the distance. They made pairwise judgments of preference and of dissimilarity among eight stimuli in each of four sets. The presence of each gradient was manipulated orthogonally such that each stimulus had zero, one, two, or three gradients appropriate for either a flat surface or a curved surface. Judgments were made were made for surfaces with both regularly shaped and irregularly shaped textures scattered on them. All viewer assessment were then scaled in one dimension. Multiple correlation and regression on the scale values

  13. Generalized Gradient Approximation Made Simple

    International Nuclear Information System (INIS)

    Perdew, J.P.; Burke, K.; Ernzerhof, M.

    1996-01-01

    Generalized gradient approximations (GGA close-quote s) for the exchange-correlation energy improve upon the local spin density (LSD) description of atoms, molecules, and solids. We present a simple derivation of a simple GGA, in which all parameters (other than those in LSD) are fundamental constants. Only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked. Improvements over PW91 include an accurate description of the linear response of the uniform electron gas, correct behavior under uniform scaling, and a smoother potential. copyright 1996 The American Physical Society

  14. Calculation of amorphous silica solubilities at 25° to 300°C and apparent cation hydration numbers in aqueous salt solutions using the concept of effective density of water

    Science.gov (United States)

    Fournier, Robert O.; Williams, Marshall L.

    1983-01-01

    The solubility of amorphous silica in aqueous salt solutions at 25° to 300°C can be calculated using information on its solubility in pure water and a model in which the activity of water in the salt solution is defined to equal the effective density. pe, of “free” water in that solution. At temperatures of 100°C and above, pe closely equals the product of the density of the solution times the weight fraction of water in the solution. At 25°C, a correction parameter must be applied to pe that incorporates a term called the apparent cation hydration number, h. Because of the many assumptions and other uncertainties involved in determining values of h, by the model used here, the reported numbers are not necessarily real hydration numbers even though they do agree with some published values determined by activity and diffusion methods. Whether or not h is a real hydration number, it would appear to be useful in its inclusion within a more extensive activity coefficient term that describes the departure of silica solubilities in concentrated salt solutions from expected behavior according to the model presented here. Values of h can be calculated from measured amorphous silica solubilities in salt solutions at 25°C provided there is no complexing of dissolved silica with the dissolved salt, or if the degree of complexing is known. The previously postulated aqueous silica-sulfate complexing in aqueous Na2SO4 solutions is supported by results of the present effective density of water model

  15. A novel method to create high density stratification with matching refractive index for optical flow investigations

    Science.gov (United States)

    Krohn, Benedikt; Manera, Annalisa; Petrov, Victor

    2018-04-01

    Turbulent mixing in stratified environments represents a challenging task in experimental turbulence research, especially when large density gradients are desired. When optical measurement techniques like particle image velocimetry (PIV) are applied to stratified liquids, it is common practice to combine two aqueous solutions with different density but equal refractive index, to suppress particle image deflections. While refractive image matching (RIM) has been developed in the late 1970s, the achieved limit of 4% density ratio was not rivalled up to day. In the present work, we report a methodology, based on the behavior of excess properties and their change in a multicomponent system while mixing, that allows RIM for solutions with higher density differences. The methodology is then successfully demonstrated using a ternary combination of water, isopropanol and glycerol, for which RIM in presence of a density ratio of 8.6% has been achieved. Qualitative PIV results of a turbulent buoyant jet with 8.6% density ratio are shown.

  16. Coreless Concept for High Gradient Induction Cell

    International Nuclear Information System (INIS)

    Krasnykh, Anatoly

    2008-01-01

    An induction linac cell for a high gradient is discussed. The proposed solid state coreless approach for the induction linac topology (SLIM(reg s ign)) is based on nanosecond mode operation. This mode may have an acceleration gradient comparable with gradients of rf- accelerator structures. The discussed induction system has the high electric efficiency. The key elements are a solid state semiconductor switch and a high electric density dielectric with a thin section length. The energy in the induction system is storied in the magnetic field. The nanosecond current break-up produces the high voltage. The induced voltage is used for acceleration. This manner of an operation allows the use of low voltage elements in the booster part and achieves a high accelerating gradient. The proposed topology was tested in POP (proof of principle) experiments

  17. Consolidation by Prefabricated Vertical Drains with a Threshold Gradient

    OpenAIRE

    Xiao Guo; Kang-He Xie; Yue-Bao Deng

    2014-01-01

    This paper shows the development of an approximate analytical solution of radial consolidation by prefabricated vertical drains with a threshold gradient. To understand the effect of the threshold gradient on consolidation, a parametric analysis was performed using the present solution. The applicability of the present solution was demonstrated in two cases, wherein the comparisons with Hansbo’s results and observed data were conducted. It was found that (1) the flow with the threshold gradie...

  18. Pancreatic islet isolation by mechanical-enzymatic separation, stationary collagenase digestion and dextran discontinuous density gradient purification: experimental study in dogs Isolamento das ilhotas pancreáticas pela separação mecânica-enzimática digestão estacionária com colagenase e purificação com gradiente de densidade descontínua de dextran: estudo experimental em cães

    Directory of Open Access Journals (Sweden)

    Jaques Waisberg

    2002-04-01

    Full Text Available The prospects for allotransplantation of pancreatic islets in man depend on the development of methods that provide sufficient quantities of pancreatic islets from a single donor, which are capable, when transplanted, of achieve the normalization of carbohydrate metabolism. Objective: Evaluate the efficacy of the isolation of Langerhans islets from dogs, by means of mechanical-enzymatic separation technique with stationary digestion using collagenase, and purification with a discontinuous dextran density gradient. Methods: The counting of islet numbers and evaluation of their sizes was accomplished by staining with diphenylthiocarbazone and using stereoscopic microscopes equipped with eyepiece reticule for the measurement of average diameters of stained islets. Results: The results disclosed that the average number of islets isolated was 81032.20 ± 24736.79 and the average number of islets isolated per kg of body weight was 6938.70 ± 1392.43. The average number of islets isolated per kg of body weight showed significant correlation with body weight and weight of the pancreas resected. Conclusion: The number of islets isolated, of a single donor, by mechanical-enzymatic separation, stationary collagenase digestion and discontinuous dextran density gradient purification can be sufficient to success of pancreatic islets transplant in dogs.A perspectiva do alotransplante de ilhotas pancreáticas no homem está na dependência do desenvolvimento de métodos que propiciem quantidades suficientes de ilhotas pancreáticas, originadas de doador único, capazes de, quando transplantadas, levarem à normalização do metabolismo dos hidratos de carbono. Objetivo: Avaliar, em cães, a eficácia do isolamento das ilhotas de Langerhans por meio da técnica de separação mecânica-enzimática, digestão estacionária com colagenase e purificação pelo gradiente de densidade descontínua de dextran. Métodos: A contagem do número e avaliação do tamanho

  19. Formation of optical gradient in chemical solution-derived PbZr.sub.0.52./sub.Ti.sub.0.48./sub.O.sub.3./sub. thin films: spectroscopic ellipsometry investigation

    Czech Academy of Sciences Publication Activity Database

    Aulika, I.; Corkovic, S.; Bencan, A.; D' Astorg, S.; Dejneka, Alexandr; Zhang, Q.; Kosec, M.; Zauls, V.

    2009-01-01

    Roč. 156, č. 12 (2009), G217-G225 ISSN 0013-4651 R&D Projects: GA ČR GC202/09/J017 Institutional research plan: CEZ:AV0Z10100522 Keywords : optical gradient * PZT Subject RIV: BH - Optics, Masers, Lasers Impact factor: 2.241, year: 2009

  20. Adsorption of Small Cationic Nanoparticles onto Large Anionic Particles from Aqueous Solution: A Model System for Understanding Pigment Dispersion and the Problem of Effective Particle Density.

    Science.gov (United States)

    North, S M; Jones, E R; Smith, G N; Mykhaylyk, O O; Annable, T; Armes, S P

    2017-02-07

    The present study focuses on the use of copolymer nanoparticles as a dispersant for a model pigment (silica). Reversible addition-fragmentation chain transfer (RAFT) alcoholic dispersion polymerization was used to synthesize sterically stabilized diblock copolymer nanoparticles. The steric stabilizer block was poly(2-(dimethylamino)ethyl methacrylate) (PDMA) and the core-forming block was poly(benzyl methacrylate) (PBzMA). The mean degrees of polymerization for the PDMA and PBzMA blocks were 71 and 100, respectively. Transmission electron microscopy (TEM) studies confirmed a near-monodisperse spherical morphology, while dynamic light scattering (DLS) studies indicated an intensity-average diameter of 30 nm. Small-angle X-ray scattering (SAXS) reported a volume-average diameter of 29 ± 0.5 nm and a mean aggregation number of 154. Aqueous electrophoresis measurements confirmed that these PDMA 71 -PBzMA 100 nanoparticles acquired cationic character when transferred from ethanol to water as a result of protonation of the weakly basic PDMA chains. Electrostatic adsorption of these nanoparticles from aqueous solution onto 470 nm silica particles led to either flocculation at submonolayer coverage or steric stabilization at or above monolayer coverage, as judged by DLS. This technique indicated that saturation coverage was achieved on addition of approximately 465 copolymer nanoparticles per silica particle, which corresponds to a fractional surface coverage of around 0.42. These adsorption data were corroborated using thermogravimetry, UV spectroscopy and X-ray photoelectron spectroscopy. TEM studies indicated that the cationic nanoparticles remained intact on the silica surface after electrostatic adsorption, while aqueous electrophoresis confirmed that surface charge reversal occurred below pH 7. The relatively thick layer of adsorbed nanoparticles led to a significant reduction in the effective particle density of the silica particles from 1.99 g cm -3 to

  1. Cell orientation gradients on an inverse opal substrate.

    Science.gov (United States)

    Lu, Jie; Zou, Xin; Zhao, Ze; Mu, Zhongde; Zhao, Yuanjin; Gu, Zhongze

    2015-05-20

    The generation of cell gradients is critical for understanding many biological systems and realizing the unique functionality of many implanted biomaterials. However, most previous work can only control the gradient of cell density and this has no effect on the gradient of cell orientation, which has an important role in regulating the functions of many connecting tissues. Here, we report on a simple stretched inverse opal substrate for establishing desired cell orientation gradients. It was demonstrated that tendon fibroblasts on the stretched inverse opal gradient showed a corresponding alignment along with the elongation gradient of the substrate. This "random-to-aligned" cell gradient reproduces the insertion part of many connecting tissues, and thus, will have important applications in tissue engineering.

  2. Conjugate Gradient Algorithms For Manipulator Simulation

    Science.gov (United States)

    Fijany, Amir; Scheid, Robert E.

    1991-01-01

    Report discusses applicability of conjugate-gradient algorithms to computation of forward dynamics of robotic manipulators. Rapid computation of forward dynamics essential to teleoperation and other advanced robotic applications. Part of continuing effort to find algorithms meeting requirements for increased computational efficiency and speed. Method used for iterative solution of systems of linear equations.

  3. Effect of density step on stirring properties of a strain flow

    International Nuclear Information System (INIS)

    Gonzalez, M; Paranthoen, P

    2009-01-01

    The influence of steep density gradient on stirring properties of a strain flow is addressed by considering the problem in which an interface separating two regions with different constant densities is stabilized within a stagnation-point flow. The existence of an analytic solution for the two-dimensional incompressible flow field allows the exact derivation of the velocity gradient tensor and of parameters describing the local flow topology. Stirring properties are affected not only by vorticity production and jump of strain intensity at the interface, but also by rotation of strain principal axes resulting from anisotropy of pressure Hessian. The strain persistence parameter, which measures the respective effects of strain and effective rotation (vorticity plus rotation rate of strain basis), reveals a complex structure. In particular, for large values of the density ratio, it indicates dominating effective rotation in a restricted area past the interface. Information on flow structure derived from the Okubo-Weiss parameter, by contrast, is less detailed. The influence of the density step on stirring properties is assessed by the Lagrangian evolution of the gradient of a passive scalar. Even for a moderate density ratio, alignment of the scalar gradient and growth rate of its norm are deeply altered. Past the interface effective rotation indeed drives the scalar gradient to align with a direction determined by the local strain persistence parameter, away from the compressional strain direction. The jump of strain intensity at the interface, however, opposes the lessening effect of the latter mechanism on the growth rate of the scalar gradient norm and promotes the rise of the gradient.

  4. Hamilton's gradient estimate for the heat kernel on complete manifolds

    OpenAIRE

    Kotschwar, Brett

    2007-01-01

    In this paper we extend a gradient estimate of R. Hamilton for positive solutions to the heat equation on closed manifolds to bounded positive solutions on complete, non-compact manifolds with $Rc \\geq -Kg$. We accomplish this extension via a maximum principle of L. Karp and P. Li and a Bernstein-type estimate on the gradient of the solution. An application of our result, together with the bounds of P. Li and S.T. Yau, yields an estimate on the gradient of the heat kernel for complete manifol...

  5. Gradient estimates on the weighted p-Laplace heat equation

    Science.gov (United States)

    Wang, Lin Feng

    2018-01-01

    In this paper, by a regularization process we derive new gradient estimates for positive solutions to the weighted p-Laplace heat equation when the m-Bakry-Émery curvature is bounded from below by -K for some constant K ≥ 0. When the potential function is constant, which reduce to the gradient estimate established by Ni and Kotschwar for positive solutions to the p-Laplace heat equation on closed manifolds with nonnegative Ricci curvature if K ↘ 0, and reduce to the Davies, Hamilton and Li-Xu's gradient estimates for positive solutions to the heat equation on closed manifolds with Ricci curvature bounded from below if p = 2.

  6. Travelling gradient thermocouple calibration

    International Nuclear Information System (INIS)

    Broomfield, G.H.

    1975-01-01

    A short discussion of the origins of the thermocouple EMF is used to re-introduce the idea that the Peltier and Thompson effects are indistinguishable from one another. Thermocouples may be viewed as devices which generate an EMF at junctions or as integrators of EMF's developed in thermal gradients. The thermal gradient view is considered the more appropriate, because of its better accord with theory and behaviour, the correct approach to calibration, and investigation of service effects is immediately obvious. Inhomogeneities arise in thermocouples during manufacture and in service. The results of travelling gradient measurements are used to show that such effects are revealed with a resolution which depends on the length of the gradient although they may be masked during simple immersion calibration. Proposed tests on thermocouples irradiated in a nuclear reactor are discussed

  7. Crowding and Density

    Science.gov (United States)

    Design and Environment, 1972

    1972-01-01

    Three-part report pinpointing problems and uncovering solutions for the dual concepts of density (ratio of people to space) and crowding (psychological response to density). Section one, A Primer on Crowding,'' reviews new psychological and social findings; section two, Density in the Suburbs,'' shows conflict between status quo and increased…

  8. Density and viscosity of aqueous solutions of N,N-dimethylethanolamine at p = 0.1 MPa from T = (293.15 to 363.15) K

    Energy Technology Data Exchange (ETDEWEB)

    Bernal-Garcia, J. Manuel [Instituto Mexicano del Petroleo, Mexico D.F. C.P. 07330 (Mexico); Hall, Kenneth R. [Chemical Engineering Department, Texas A and M University, College Station, TX 77843 (United States); Estrada-Baltazar, Alejandro [Departamento de Ingenieria Quimica, Instituto Tecnologico de Celaya, Celaya, Guanajuato, CP 38010 (Mexico); Iglesias-Silva, Gustavo A. [Departamento de Ingenieria Quimica, Instituto Tecnologico de Celaya, Celaya, Guanajuato, CP 38010 (Mexico)]. E-mail: gais@iqcelaya.itc.mx

    2005-08-15

    This work presents atmospheric density and viscosity values for (N,N-dimethylethanolamine + water) over the entire composition range from T (293.15 to 363.15) K for density and from T = (313.15 to 353.15) K for viscosity. Density measurements come from a vibrating tube densimeter while we have used three different Cannon-Fenske viscosimeters for the viscosity measurements. Excess molar volumes and viscosity deviations are calculated using a Redlich-Kister type equation. Excess molar volumes present negative deviations from ideality and viscosity deviations are positive at all temperatures and compositions in this work.

  9. Density and viscosity of aqueous solutions of N,N-dimethylethanolamine at p = 0.1 MPa from T = (293.15 to 363.15) K

    International Nuclear Information System (INIS)

    Bernal-Garcia, J. Manuel; Hall, Kenneth R.; Estrada-Baltazar, Alejandro; Iglesias-Silva, Gustavo A.

    2005-01-01

    This work presents atmospheric density and viscosity values for (N,N-dimethylethanolamine + water) over the entire composition range from T (293.15 to 363.15) K for density and from T = (313.15 to 353.15) K for viscosity. Density measurements come from a vibrating tube densimeter while we have used three different Cannon-Fenske viscosimeters for the viscosity measurements. Excess molar volumes and viscosity deviations are calculated using a Redlich-Kister type equation. Excess molar volumes present negative deviations from ideality and viscosity deviations are positive at all temperatures and compositions in this work

  10. Gradient Alloy for Optical Packaging

    Data.gov (United States)

    National Aeronautics and Space Administration — Advances in additive manufacturing, such as Laser Engineered Net Shaping (LENS), enables the fabrication of compositionally gradient microstructures, i.e. gradient...

  11. Density, speed of sound, viscosity and refractive index properties of aqueous solutions of vitamins B1.HCl and B6.HCl at temperatures (278.15, 288.15, and 298.15) K

    International Nuclear Information System (INIS)

    Dhondge, Sudhakar S.; Deshmukh, Dinesh W.; Paliwal, Lalitmohan J.

    2013-01-01

    Highlights: ► Study of aqueous solutions of vitamins B 1 .HCl and B 6 .HCl at different temperatures has been presented. ► These are important vitamins. ► Different interactions among solute and solvents have been investigated. ► The results are interpreted in terms of water structure making and breaking effects due to cations. -- Abstract: The experimental values of density (ρ), speed of sound (u), absolute viscosity (η) and refractive index (n D ) properties are reported for aqueous solutions of thiamine hydrochloride (vitamin B 1 .HCl) and pyridoxine hydrochloride (vitamin B 6 .HCl) within the concentration range (0.01 to 0.55) mol ⋅ kg −1 at three different temperatures, viz. T/K = 278.15, 288.15, and 298.15. Using experimental data, different derived parameters such as the apparent molar volume of solute (ϕ V ), isentropic compressibility of solution (β S ), apparent molar isentropic compressibility of solute (ϕ KS ) and relative viscosity of solution (η r ) have been computed. The limiting values of apparent molar volume (ϕ V 0 ) and apparent molar isentropic compressibility (ϕ KS 0 ) have been obtained. The limiting apparent molar expansivity (ϕ E 0 ) of solute, coefficient of thermal expansion (α ∗ ) and hydration numbers (n h ) of above vitamins in the aqueous medium have also been estimated. The experimental values of relative viscosity are used to calculate the Jones–Dole equation viscosity A and B coefficients for the hydrochlorides. The temperature coefficients of B i.e. (dB/dT) for these solutes have been used to study water structure making and breaking effects due to cations. Further, a discussion is made on the basis of solute–solute and solute–solvent interactions

  12. Restricted primitive model for electrolyte solutions in slit-like pores with grafted chains: microscopic structure, thermodynamics of adsorption, and electric properties from a density functional approach.

    Science.gov (United States)

    Pizio, Orest; Sokołowski, Stefan

    2013-05-28

    We apply a density functional theory to describe properties of a restricted primitive model of an ionic fluid in slit-like pores. The pore walls are modified by grafted chains. The chains are built of uncharged or charged segments. We study the influence of modification of the pore walls on the structure, adsorption, ion selectivity, and the electric double layer capacitance of ionic fluid under confinement. The brush built of uncharged segments acts as a collection of obstacles in the walls vicinity. Consequently, separation of charges requires higher voltages, in comparison to the models without brushes. At high grafting densities the formation of crowding-type structure is inhibited. The double layer structure becomes more complex in various aspects, if the brushes are built of charged segments. In particular, the evolution of the brush height with the bulk fluid density and with the charge on the walls depends on the length of the blocks of charged spheres as well as on the distribution of charged species along chains. We also investigated how the dependence of the double layer capacitance on the electrostatic potential (or on the charge on the walls) changes with grafting density, the chain length, distribution of charges along the chain, the bulk fluid density, and, finally, with the pore width. The shape of the electric double layer capacitance vs. voltage changes from a camel-like to bell-like shape, if the bulk fluid density changes from low to moderate and high. If the bulk density is appropriately chosen, it is possible to alter the shape of this curve from the double hump to single hump by changing the grafting density. Moreover, in narrow pores one can observe the capacitance curve with even three humps for a certain set of parameters describing brush. This behavior illustrates how strong the influence of brushes on the electric double layer properties can be, particularly for ionic fluids in narrow pores.

  13. High Gradient Accelerator Research

    International Nuclear Information System (INIS)

    Temkin, Richard

    2016-01-01

    The goal of the MIT program of research on high gradient acceleration is the development of advanced acceleration concepts that lead to a practical and affordable next generation linear collider at the TeV energy level. Other applications, which are more near-term, include accelerators for materials processing; medicine; defense; mining; security; and inspection. The specific goals of the MIT program are: • Pioneering theoretical research on advanced structures for high gradient acceleration, including photonic structures and metamaterial structures; evaluation of the wakefields in these advanced structures • Experimental research to demonstrate the properties of advanced structures both in low-power microwave cold test and high-power, high-gradient test at megawatt power levels • Experimental research on microwave breakdown at high gradient including studies of breakdown phenomena induced by RF electric fields and RF magnetic fields; development of new diagnostics of the breakdown process • Theoretical research on the physics and engineering features of RF vacuum breakdown • Maintaining and improving the Haimson / MIT 17 GHz accelerator, the highest frequency operational accelerator in the world, a unique facility for accelerator research • Providing the Haimson / MIT 17 GHz accelerator facility as a facility for outside users • Active participation in the US DOE program of High Gradient Collaboration, including joint work with SLAC and with Los Alamos National Laboratory; participation of MIT students in research at the national laboratories • Training the next generation of Ph. D. students in the field of accelerator physics.

  14. Capacitive mixing power production from salinity gradient energy enhanced through exoelectrogen-generated ionic currents

    KAUST Repository

    Hatzell, Marta C.; Cusick, Roland D.; Logan, Bruce E.

    2014-01-01

    Several approaches to generate electrical power directly from salinity gradient energy using capacitive electrodes have recently been developed, but power densities have remained low. By immersing the capacitive electrodes in ionic fields generated by exoelectrogenic microorganisms in bioelectrochemical reactors, we found that energy capture using synthetic river and seawater could be increased ∼65 times, and power generation ∼46 times. Favorable electrochemical reactions due to microbial oxidation of organic matter, coupled to oxygen reduction at the cathode, created an ionic flow field that enabled more effective passive charging of the capacitive electrodes and higher energy capture. This ionic-based approach is not limited to the use of river water-seawater solutions. It can also be applied in industrial settings, as demonstrated using thermolytic solutions that can be used to capture waste heat energy as salinity gradient energy. Forced charging of the capacitive electrodes, using energy generated by the bioelectrochemical system and a thermolytic solution, further increased the maximum power density to 7 W m -2 (capacitive electrode). © 2014 The Royal Society of Chemistry.

  15. Collisional transport in a plasma with steep gradients

    International Nuclear Information System (INIS)

    Wang, W.; Okamoto, M.; Nakajima, N.; Murakami, S.

    1999-06-01

    The validity is given to the newly proposed two δf method for neoclassical transport calculation, which can be solve the drift kinetic equation considering effects of steep plasma gradients, large radial electric field, finite banana width, and an orbit topology near the axis. The new method is applied to the study of ion transport with steep plasma gradients. It is found that the ion thermal diffusivity decreases as the scale length of density gradient decreases, while the ion particle flux due to ion-ion self collisions increases with increasing gradient. (author)

  16. Water/rock interactions and mass transport within a thermal gradient Application to the confinement of high level nuclear waste; Interactions solide/solution et transferts de matiere dans un gradient de temperature. Application au confinement des dechets nucleaires de haute-activite

    Energy Technology Data Exchange (ETDEWEB)

    Poinssot, Ch [CEA Saclay, 91 - Gif-sur-Yvette (France). Dept. d` Entreposage et de Stockage des Dechets; [Ecole Normale Superieure, 92 - Fontenay-aux-Roses (France). Laboratoire de Geologie

    1999-12-31

    The initial stage of a high level nuclear waste disposal will be characterised by a large heat release within the near-field environment of the canisters. This heat flux caused by radioactive decay will lead to an increase of temperature and a subsequent thermal gradient between the `hot` canisters and the `cold`geological medium. In addition, this thermal gradient will decrease with time due to the heat decay although it could last hundred years. What will be the consequences of such a thermal field varying both on space and time for the alteration of the different constituents of the near field environment. In particular, what could be the effects on the radionuclides migration in the accidental case of an early breach of a canister during the thermal stage? This study brings significant answers to these questions in the light of a performance assessment study. This work is supported by a triple methodological approach involving experimental studies, modelling calculations and a natural analogues study. This complete work demonstrates that a thermal gradient leads to a large re-distribution of elements within the system: some elements are incorporated in the solid phases of the hot end (Si, Zr, Ca) whereas some others are in those of the cold end (Fe, Al, Zn). The confrontation of the results of very simple experiments with the results of a model built on equilibrium thermodynamics allow us to evidence the probable mechanisms causing this mass transport: out-of-equilibrium thermodiffusion processes coupled to irreversible precipitation. Moreover, the effects of the variation of temperatures with time is studied by the way of a natural system which underwent a similar temperature evolution as a disposal and which was initially rich in uranium: the Jurassic Alpine bauxites. In addition, part of the initial bauxite escaped this temperature transformations due to their incorporation in outer thrusting nappes. They are used as a reference. (author)

  17. Water/rock interactions and mass transport within a thermal gradient Application to the confinement of high level nuclear waste; Interactions solide/solution et transferts de matiere dans un gradient de temperature. Application au confinement des dechets nucleaires de haute-activite

    Energy Technology Data Exchange (ETDEWEB)

    Poinssot, Ch. [CEA Saclay, 91 - Gif-sur-Yvette (France). Dept. d`Entreposage et de Stockage des Dechets]|[Ecole Normale Superieure, 92 - Fontenay-aux-Roses (France). Laboratoire de Geologie

    1998-12-31

    The initial stage of a high level nuclear waste disposal will be characterised by a large heat release within the near-field environment of the canisters. This heat flux caused by radioactive decay will lead to an increase of temperature and a subsequent thermal gradient between the `hot` canisters and the `cold`geological medium. In addition, this thermal gradient will decrease with time due to the heat decay although it could last hundred years. What will be the consequences of such a thermal field varying both on space and time for the alteration of the different constituents of the near field environment. In particular, what could be the effects on the radionuclides migration in the accidental case of an early breach of a canister during the thermal stage? This study brings significant answers to these questions in the light of a performance assessment study. This work is supported by a triple methodological approach involving experimental studies, modelling calculations and a natural analogues study. This complete work demonstrates that a thermal gradient leads to a large re-distribution of elements within the system: some elements are incorporated in the solid phases of the hot end (Si, Zr, Ca) whereas some others are in those of the cold end (Fe, Al, Zn). The confrontation of the results of very simple experiments with the results of a model built on equilibrium thermodynamics allow us to evidence the probable mechanisms causing this mass transport: out-of-equilibrium thermodiffusion processes coupled to irreversible precipitation. Moreover, the effects of the variation of temperatures with time is studied by the way of a natural system which underwent a similar temperature evolution as a disposal and which was initially rich in uranium: the Jurassic Alpine bauxites. In addition, part of the initial bauxite escaped this temperature transformations due to their incorporation in outer thrusting nappes. They are used as a reference. (author)

  18. DAMPING OF ELECTRON DENSITY STRUCTURES AND IMPLICATIONS FOR INTERSTELLAR SCINTILLATION

    International Nuclear Information System (INIS)

    Smith, K. W.; Terry, P. W.

    2011-01-01

    The forms of electron density structures in kinetic Alfven wave (KAW) turbulence are studied in connection with scintillation. The focus is on small scales L ∼ 10 8 -10 10 cm where the KAW regime is active in the interstellar medium, principally within turbulent H II regions. Scales at 10 times the ion gyroradius and smaller are inferred to dominate scintillation in the theory of Boldyrev et al. From numerical solutions of a decaying KAW turbulence model, structure morphology reveals two types of localized structures, filaments and sheets, and shows that they arise in different regimes of resistive and diffusive damping. Minimal resistive damping yields localized current filaments that form out of Gaussian-distributed initial conditions. When resistive damping is large relative to diffusive damping, sheet-like structures form. In the filamentary regime, each filament is associated with a non-localized magnetic and density structure, circularly symmetric in cross section. Density and magnetic fields have Gaussian statistics (as inferred from Gaussian-valued kurtosis) while density gradients are strongly non-Gaussian, more so than current. This enhancement of non-Gaussian statistics in a derivative field is expected since gradient operations enhance small-scale fluctuations. The enhancement of density gradient kurtosis over current kurtosis is not obvious, yet it suggests that modest density fluctuations may yield large scintillation events during pulsar signal propagation. In the sheet regime the same statistical observations hold, despite the absence of localized filamentary structures. Probability density functions are constructed from statistical ensembles in both regimes, showing clear formation of long, highly non-Gaussian tails.

  19. Uniform gradient expansions

    CERN Document Server

    Giovannini, Massimo

    2015-01-01

    Cosmological singularities are often discussed by means of a gradient expansion that can also describe, during a quasi-de Sitter phase, the progressive suppression of curvature inhomogeneities. While the inflationary event horizon is being formed the two mentioned regimes coexist and a uniform expansion can be conceived and applied to the evolution of spatial gradients across the protoinflationary boundary. It is argued that conventional arguments addressing the preinflationary initial conditions are necessary but generally not sufficient to guarantee a homogeneous onset of the conventional inflationary stage.

  20. High gradient superconducting quadrupoles

    International Nuclear Information System (INIS)

    Lundy, R.A.; Brown, B.C.; Carson, J.A.; Fisk, H.E.; Hanft, R.H.; Mantsch, P.M.; McInturff, A.D.; Remsbottom, R.H.

    1987-07-01

    Prototype superconducting quadrupoles with a 5 cm aperture and gradient of 16 kG/cm have been built and tested as candidate magnets for the final focus at SLC. The magnets are made from NbTi Tevatron style cable with 10 inner and 14 outer turns per quadrant. Quench performance and multipole data are presented. Design and data for a low current, high gradient quadrupole, similar in cross section but wound with a cable consisting of five insulated conductors are also discussed

  1. Reflectance analysis of porosity gradient in nanostructured silicon layers

    Science.gov (United States)

    Jurečka, Stanislav; Imamura, Kentaro; Matsumoto, Taketoshi; Kobayashi, Hikaru

    2017-12-01

    In this work we study optical properties of nanostructured layers formed on silicon surface. Nanostructured layers on Si are formed in order to reach high suppression of the light reflectance. Low spectral reflectance is important for improvement of the conversion efficiency of solar cells and for other optoelectronic applications. Effective method of forming nanostructured layers with ultralow reflectance in a broad interval of wavelengths is in our approach based on metal assisted etching of Si. Si surface immersed in HF and H2O2 solution is etched in contact with the Pt mesh roller and the structure of the mesh is transferred on the etched surface. During this etching procedure the layer density evolves gradually and the spectral reflectance decreases exponentially with the depth in porous layer. We analyzed properties of the layer porosity by incorporating the porosity gradient into construction of the layer spectral reflectance theoretical model. Analyzed layer is splitted into 20 sublayers in our approach. Complex dielectric function in each sublayer is computed by using Bruggeman effective media theory and the theoretical spectral reflectance of modelled multilayer system is computed by using Abeles matrix formalism. Porosity gradient is extracted from the theoretical reflectance model optimized in comparison to the experimental values. Resulting values of the structure porosity development provide important information for optimization of the technological treatment operations.

  2. Structures, vibrational absorption and vibrational circular dichroism spectra of L-alanine in aqueous solution: a density functional theory and RHF study

    DEFF Research Database (Denmark)

    Frimand, Kenneth; Bohr, Henrik; Jalkanen, Karl J.

    2000-01-01

    at the density functional theory level using the B3LYP functional with the 6-31G* basis set. The Hessians and atomic polar tensors and atomic axial tensors were all calculated at the B3LYP/6-31G* level of theory. An important result is the method of treating solvent effects by both adding explicit water...

  3. Manipulating the Gradient

    Science.gov (United States)

    Gaze, Eric C.

    2005-01-01

    We introduce a cooperative learning, group lab for a Calculus III course to facilitate comprehension of the gradient vector and directional derivative concepts. The lab is a hands-on experience allowing students to manipulate a tangent plane and empirically measure the effect of partial derivatives on the direction of optimal ascent. (Contains 7…

  4. Dynamics of gradient formation by intracellular shuttling

    Energy Technology Data Exchange (ETDEWEB)

    Berezhkovskii, Alexander M. [Mathematical and Statistical Computing Laboratory, Division of Computational Bioscience, Center for Information Technology, National Institutes of Health, Bethesda, Maryland 20892 (United States); Shvartsman, Stanislav Y. [Department of Chemical and Biological Engineering and Lewis-Sigler Institute for Integrative Genomics, Princeton University, Princeton, New Jersey 08544 (United States)

    2015-08-21

    A number of important cellular functions rely on the formation of intracellular protein concentration gradients. Experimental studies discovered a number of mechanisms for the formation of such gradients. One of the mechanisms relies on the intracellular shuttling of a protein that interconverts between the two states with different diffusivities, under the action of two enzymes, one of which is localized to the plasma membrane, whereas the second is uniformly distributed in the cytoplasm. Recent work reported an analytical solution for the steady state gradient in this mechanism, obtained in the framework of a one-dimensional reaction-diffusion model. Here, we study the dynamics in this model and derive analytical expressions for the Laplace transforms of the time-dependent concentration profiles in terms of elementary transcendental functions. Inverting these transforms numerically, one can obtain time-dependent concentration profiles of the two forms of the protein.

  5. Holographic magnetisation density waves

    Energy Technology Data Exchange (ETDEWEB)

    Donos, Aristomenis [Centre for Particle Theory and Department of Mathematical Sciences, Durham University,Stockton Road, Durham, DH1 3LE (United Kingdom); Pantelidou, Christiana [Departament de Fisica Quantica i Astrofisica & Institut de Ciencies del Cosmos (ICC),Universitat de Barcelona,Marti i Franques 1, 08028 Barcelona (Spain)

    2016-10-10

    We numerically construct asymptotically AdS black brane solutions of D=4 Einstein theory coupled to a scalar and two U(1) gauge fields. The solutions are holographically dual to d=3 CFTs in a constant external magnetic field along one of the U(1)’s. Below a critical temperature the system’s magnetisation density becomes inhomogeneous, leading to spontaneous formation of current density waves. We find that the transition can be of second order and that the solutions which minimise the free energy locally in the parameter space of solutions have averaged stressed tensor of a perfect fluid.

  6. Hybridization analysis of P2 phage and of a defective prophage of Escherichia Coli B by the density gradient centrifugation method; Analyse de l'hybridation du phage P2 et d'un prophage defectifs d'Escherichia Coli B, par la methode de centrifugation en gradient de densite

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, Denise [Commissariat a l' energie atomique et aux energies alternatives - CEA, C. E. N. de Saclay, Service de Biologie (France)

    1960-07-01

    The P2 Hydis phage produced by P2 phage multiplication in E. coli B shows a higher density than its P2 parent. This density increase is the same for all P2 Hydis coming from a huge number of distinct hybridizations. It is closed to 0.002 g.cm{sup -3}. Reprint of a paper published in Comptes rendus des seances de l'Academie des Sciences, t. 250, p. 946-948, sitting of 1 February 1960 [French] Le phage P2 Hydis, produit lors de la multiplication du phage P2 dans E. Coli B, presente une densite superieure a celle de son parent P2. Cette augmentation de densite est la meme pour tous les P2 Hydis issus d'un grand nombre d'hybridations distinctes. Elle est voisine de 0,002 g.cm{sup -3}. Reproduction d'un article publie dans les Comptes rendus des seances de l'Academie des Sciences, t. 250, p. 946-948, seance du 1er fevrier 1960.

  7. Tris-amidoximate uranyl complexes via η2 binding mode coordinated in aqueous solution shown by X-ray absorption spectroscopy and density functional theory methods.

    Science.gov (United States)

    Zhang, Linjuan; Qie, Meiying; Su, Jing; Zhang, Shuo; Zhou, Jing; Li, Jiong; Wang, Yu; Yang, Shitong; Wang, Shuao; Li, Jingye; Wu, Guozhong; Wang, Jian Qiang

    2018-03-01

    The present study sheds some light on the long-standing debate concerning the coordination properties between uranyl ions and the amidoxime ligand, which is a key ingredient for achieving efficient extraction of uranium. Using X-ray absorption fine structure combined with theoretical simulation methods, the binding mode and bonding nature of a uranyl-amidoxime complex in aqueous solution were determined for the first time. The results show that in a highly concentrated amidoxime solution the preferred binding mode between UO 2 2+ and the amidoxime ligand is η 2 coordination with tris-amidoximate species. In such a uranyl-amidoximate complex with η 2 binding motif, strong covalent interaction and orbital hybridization between U 5f/6d and (N, O) 2p should be responsible for the excellent binding ability of the amidoximate ligand to uranyl. The study was performed directly in aqueous solution to avoid the possible binding mode differences caused by crystallization of a single-crystal sample. This work also is an example of the simultaneous study of local structure and electronic structure in solution systems using combined diagnostic tools.

  8. Stau relic density at the big-bang nucleosynthesis era in the coannihilation scenario and a solution to the Li7 problem

    Science.gov (United States)

    Jittoh, Toshifumi; Kohri, Kazunori; Koike, Masafumi; Sato, Joe; Shimomura, Takashi; Yamanaka, Masato

    2010-12-01

    We calculate the relic density of stau at the big-bang nucleosynthesis era in the coannihilation scenario of the minimal supersymmetric standard model. In this scenario, stau can be long lived and have significance in the remediation of light elements abundances. The freeze-out of stau is corroborated by solving the Boltzmann equation numerically, and the parameter dependence of the relic density is investigated. The possibility of solving the Li7 problem is examined by taking account into the long-lived stau. By adopting an observational value of Li7 in [J. Meléndez and I. Ramírez, Astrophys. J. 615, L33 (2004).ASJOAB0004-637X10.1086/425962], we get minimal supersymmetric standard model parameter space in which abundances of both dark matter and all of the light elements are reproduced in accordance with observations. We also address the influence of intergenerational mixing on our calculation.

  9. Gradient heating protocol for a diode-pumped alkali laser

    Science.gov (United States)

    Cai, He; Wang, You; Han, Juhong; Yu, Hang; Rong, Kepeng; Wang, Shunyan; An, Guofei; Wang, Hongyuan; Zhang, Wei; Wu, Peng; Yu, Qiang

    2018-06-01

    A diode-pumped alkali laser (DPAL) has gained rapid development in the recent years. Until now, the structure with single heater has been widely utilized to adjust the temperature of an alkali vapor cell in most of the literatures about DPALs. However, for an end-pumped DPAL using single heater, most pump energy is absorbed by the gain media near the entrance cell window because of the large absorption cross section of atomic alkali. As a result, the temperature in the pumping area around the entrance window will go up rapidly, especially in a case of high pumping density. The temperature rise would bring about some negative influences such as thermal effects and variations in population density. In addition, light scattering and window contamination aroused by the chemical reaction between the alkali vapor and the buffer gas will also affect the output performance of a DPAL system. To find a solution to these problems, we propose a gradient heating approach in which several heaters are tandem-set along the optical axis to anneal an alkali vapor cell. The temperature at the entrance window is adjusted to be lower than that of the other side. By using this novel scheme, one can not only achieve a homogeneous absorption of the pump energy along the cell axis, but also decrease the possibility of the window damage in a DPAL configuration. The theoretical simulation of the laser output features has been carried out for a configuration of multiple heaters. Additionally, the DPAL output performance under different gradient temperatures is also discussed in this paper. The conclusions might be helpful for development of a high-powered and high-beam-quality DPAL.

  10. Voltammetry under a Controlled Temperature Gradient

    Directory of Open Access Journals (Sweden)

    Jan Krejci, Jr.

    2010-07-01

    Full Text Available Electrochemical measurements are generally done under isothermal conditions. Here we report on the application of a controlled temperature gradient between the working electrode surface and the solution. Using electrochemical sensors prepared on ceramic materials with extremely high specific heat conductivity, the temperature gradient between the electrode and solution was applied here as a second driving force. This application of the Soret phenomenon increases the mass transfer in the Nernst layer and enables more accurate control of the electrode response enhancement by a combination of diffusion and thermal diffusion. We have thus studied the effect of Soret phenomenon by cyclic voltammetry measurements in ferro/ferricyanide. The time dependence of sensor response disappears when applying the Soret phenomenon, and the complicated shape of the cyclic voltammogram is replaced by a simple exponential curve. We have derived the Cotrell-Soret equation describing the steady-state response with an applied temperature difference.

  11. Energy Capture from Thermolytic Solutions in Microbial Reverse-Electrodialysis Cells

    KAUST Repository

    Cusick, R. D.

    2012-03-01

    Reverse electrodialysis allows for the capture of energy from salinity gradients between salt and fresh waters, but potential applications are currently limited to coastal areas and the need for a large number of membrane pairs. Using salt solutions that could be continuously regenerated with waste heat (≥40°C) and conventional technologies would allow much wider applications of salinity-gradient power production. We used reverse electrodialysis ion-exchange membrane stacks in microbial reverse- electrodialysis cells to efficiently capture salinity-gradient energy from ammonium bicarbonate salt solutions. The maximum power density using acetate reached 5.6 watts per square meter of cathode surface area, which was five times that produced without the dialysis stack, and 3.0 ± 0.05 watts per square meter with domestic wastewater. Maximum energy recovery with acetate reached 30 ± 0.5%.

  12. Bigravity from gradient expansion

    International Nuclear Information System (INIS)

    Yamashita, Yasuho; Tanaka, Takahiro

    2016-01-01

    We discuss how the ghost-free bigravity coupled with a single scalar field can be derived from a braneworld setup. We consider DGP two-brane model without radion stabilization. The bulk configuration is solved for given boundary metrics, and it is substituted back into the action to obtain the effective four-dimensional action. In order to obtain the ghost-free bigravity, we consider the gradient expansion in which the brane separation is supposed to be sufficiently small so that two boundary metrics are almost identical. The obtained effective theory is shown to be ghost free as expected, however, the interaction between two gravitons takes the Fierz-Pauli form at the leading order of the gradient expansion, even though we do not use the approximation of linear perturbation. We also find that the radion remains as a scalar field in the four-dimensional effective theory, but its coupling to the metrics is non-trivial.

  13. Gradient-Index Optics

    Science.gov (United States)

    2010-03-31

    nonimaging design capabilities to incorporate 1. REPORT DATE (DD-MM-YYYY) 4. TITLE AND SUBTITLE 12-04-2011 13. SUPPLEMENTARY NOTES The views, opinions...Box 12211 Research Triangle Park, NC 27709-2211 15. SUBJECT TERMS Imaging Optics, Nonimaging Optics, Gradient Index Optics, Camera, Concentrator...imaging and nonimaging design capabilities to incorporate manufacturable GRIN lenses can provide imaging lens systems that are compact and

  14. Near-surface temperature gradient in a coastal upwelling regime

    Science.gov (United States)

    Maske, H.; Ochoa, J.; Almeda-Jauregui, C. O.; Ruiz-de la Torre, M. C.; Cruz-López, R.; Villegas-Mendoza, J. R.

    2014-08-01

    In oceanography, a near homogeneous mixed layer extending from the surface to a seasonal thermocline is a common conceptual basis in physics, chemistry, and biology. In a coastal upwelling region 3 km off the coast in the Mexican Pacific, we measured vertical density gradients with a free-rising CTD and temperature gradients with thermographs at 1, 3, and 5 m depths logging every 5 min during more than a year. No significant salinity gradient was observed down to 10 m depth, and the CTD temperature and density gradients showed no pronounced discontinuity that would suggest a near-surface mixed layer. Thermographs generally logged decreasing temperature with depth with gradients higher than 0.2 K m-1 more than half of the time in the summer between 1 and 3 m, 3 and 5 m and in the winter between 1 and 3 m. Some negative temperature gradients were present and gradients were generally highly variable in time with high peaks lasting fractions of hours to hours. These temporal changes were too rapid to be explained by local heating or cooling. The pattern of positive and negative peaks might be explained by vertical stacks of water layers of different temperatures and different horizontal drift vectors. The observed near-surface gradient has implications for turbulent wind energy transfer, vertical exchange of dissolved and particulate water constituents, the interpretation of remotely sensed SST, and horizontal wind-induced transport.

  15. Majorana zero modes and long range edge correlation in interacting Kitaev chains: analytic solutions and density-matrix-renormalization-group study.

    Science.gov (United States)

    Miao, Jian-Jian; Jin, Hui-Ke; Zhang, Fu-Chun; Zhou, Yi

    2018-01-11

    We study Kitaev model in one-dimension with open boundary condition by using exact analytic methods for non-interacting system at zero chemical potential as well as in the symmetric case of Δ = t, and by using density-matrix-renormalization-group method for interacting system with nearest neighbor repulsion interaction. We suggest and examine an edge correlation function of Majorana fermions to characterize the long range order in the topological superconducting states and study the phase diagram of the interating Kitaev chain.

  16. Densities of liquids and vapors in boiling NaCl-H2O solutions: a PVTx summary from 300° to 500°C

    Science.gov (United States)

    Bischoff, James L.

    1991-01-01

    Experimental data for densities of liquids and vapors on the two-phase surface of the system NaCl-H2O were compiled and evaluated to provide a complete summary between 300° and 500°C. The results are added to a previously published PTx summary compiled in the same manner to provide a PVTx summary of the present state of knowledge. Results are in table form of use to the understanding of two-phase behaviour in boiling hydrothermal systems and to theoretical modeling of this important system. 

  17. Measurement and modeling of density and viscosity of n-octanol-kerosene-phosphoric acid solutions in a temperature range 293.15-333.15 K

    Science.gov (United States)

    Ye, Changwen; Pei, Xiangjun; Liu, J. C.

    2016-12-01

    Densities and viscosities have been measured for the n-octanol + aviation kerosene (AK) + phosphoric acid (H3PO4) system with the mass fraction of H3PO4 in the range from w = 0 to 0.26 and in the temperature of 293.15-333.15 K. According to the experimental data, the measured viscosities were found well correlated with the temperature and mass fraction of H3PO4, which were fitted to regression equations. The result shows that the dilution effect of AK is obvious under the same temperature and mass fraction of H3PO4.

  18. Measurements of density and of thermal expansion coefficient of sodium tetraborate (borax)-UO2 and of sodium metaborate-UO2 solutions

    International Nuclear Information System (INIS)

    Dalle Donne, M.; Dorner, S.

    1980-12-01

    Measurements have been performed of the density and volumetric thermal expansion coefficient of liquid sodium tetraborate (borax) and of sodium metaborate both pure and with two different amounts of UO 2 dissolved in each. These data are required for the design of core-catchers based on sodium borates. The measurements have been performed with the buoyancy method in the temperature range from 850 0 C to 1325 0 C. The data for the pure borax and for the sodium metaborate agree reasonably well with the data from the literature, giving confidence that the measurements are correct and the new data for the salts with UO 2 are reliable. (orig.) [de

  19. 生物活性稀土梯度涂层在碱液环境中的电极化后处理%Electric polarized post treatment of rare earth active bioceramic gradient coating in alkaline solution

    Institute of Scientific and Technical Information of China (English)

    汪震; 刘其斌; 肖明; 杨邦成

    2011-01-01

    To improve the quality of rare earth active bioceramic gradient coatings,a method of electric polarized treatment(PAS) was used to post-process the gradient coatings fabricated by wide band laser cladding in alkali liquid.The phases and corrosion resistance of the bioceramic coatings were analyzed by XRD and an electrochemical analyzer.The bioceramic coatings were immersed in simulated body fluid(SBF) to examine its bioactivity and its electrical charge.The experimental results indicate that PAS treatment not only improves the crystallinity of the coatings,but also is favourable to transform additional phases into hydroxyapatite.PAS treatment exhibits a little effect on corrosion resistance of the bioceramic coatings.Compared with as-received coatings,the coatings treated by PAS are of better bioactivity and more negative charge.%为了改善活性生物稀土梯度涂层的质量,在碱液环境中采用电极化处理法(PAS)对宽带激光熔覆生物活性稀土梯度涂层进行后处理。利用XRD和电化学分析仪对涂层的相组成和耐腐蚀性进行了研究,通过模拟体液浸泡试验考察了生物陶瓷涂层的生物活性和涂层表面的电荷分布情况。结果表明,碱液环境中电极化处理法(PAS)能够提高涂层的结晶度,使涂层中的非晶相、杂相向羟基磷灰石转化。PAS对涂层的耐腐蚀性影响不大。与未处理涂层相比,PAS处理后的涂层生物活性更好,且涂层表面产生了更多的负电荷。

  20. Canonical trivialization of gravitational gradients

    International Nuclear Information System (INIS)

    Niedermaier, Max

    2017-01-01

    A one-parameter family of canonical transformations is constructed that reduces the Hamiltonian form of the Einstein–Hilbert action to its strong coupling limit where dynamical spatial gradients are absent. The parameter can alternatively be viewed as the overall scale of the spatial metric or as a fractional inverse power of Newton’s constant. The generating function of the canonical transformation is constructed iteratively as a powerseries in the parameter to all orders. The algorithm draws on Lie–Deprit transformation theory and defines a ‘trivialization map’ with several bonus properties: (i) Trivialization of the Hamiltonian constraint implies that of the action while the diffeomorphism constraint is automatically co-transformed. (ii) Only a set of ordinary differential equations needs to be solved to drive the iteration via a homological equation where no gauge fixing is required. (iii) In contrast to (the classical limit of) a Lagrangian trivialization map the algorithm also produces series solutions of the field equations. (iv) In the strong coupling theory temporal gauge variations are abelian, nevertheless the map intertwines with the respective gauge symmetries on the action, the field equations, and their solutions. (paper)

  1. Canonical trivialization of gravitational gradients

    Science.gov (United States)

    Niedermaier, Max

    2017-06-01

    A one-parameter family of canonical transformations is constructed that reduces the Hamiltonian form of the Einstein-Hilbert action to its strong coupling limit where dynamical spatial gradients are absent. The parameter can alternatively be viewed as the overall scale of the spatial metric or as a fractional inverse power of Newton’s constant. The generating function of the canonical transformation is constructed iteratively as a powerseries in the parameter to all orders. The algorithm draws on Lie-Deprit transformation theory and defines a ‘trivialization map’ with several bonus properties: (i) Trivialization of the Hamiltonian constraint implies that of the action while the diffeomorphism constraint is automatically co-transformed. (ii) Only a set of ordinary differential equations needs to be solved to drive the iteration via a homological equation where no gauge fixing is required. (iii) In contrast to (the classical limit of) a Lagrangian trivialization map the algorithm also produces series solutions of the field equations. (iv) In the strong coupling theory temporal gauge variations are abelian, nevertheless the map intertwines with the respective gauge symmetries on the action, the field equations, and their solutions.

  2. Soliton formation at critical density in laser-irradiated plasmas

    International Nuclear Information System (INIS)

    Anderson, D.; Bondeson, A.; Lisak, M.

    1979-01-01

    The generation of Langmuir solitons at the resonance layer in a plasma irradiated by a strong high-frequency pump is investigated. The process is modelled by the nonlinear Schrodinger equation including an external pump, a density gradient and linear damping. The evolution equation is reformulated as an exact variational principle and the one-soliton generation process is studied by substituting various trial solutions. The applicability conditions for the nonlinear Schrodinger equation are re-examined and found to be more restrictive than previously stated. (author)

  3. Simulation of variable-density flow and transport of reactive and nonreactive solutes during a tracer test at Cape Cod, Massachusetts

    Science.gov (United States)

    Zhang, Hubao; Schwartz, Frank W.; Wood, Warren W.; Garabedian, S.P.; LeBlanc, D.R.

    1998-01-01

    A multispecies numerical code was developed to simulate flow and mass transport with kinetic adsorption in variable-density flow systems. The two-dimensional code simulated the transport of bromide (Br−), a nonreactive tracer, and lithium (Li+), a reactive tracer, in a large-scale tracer test performed in a sand-and-gravel aquifer at Cape Cod, Massachusetts. A two-fraction kinetic adsorption model was implemented to simulate the interaction of Li+ with the aquifer solids. Initial estimates for some of the transport parameters were obtained from a nonlinear least squares curve-fitting procedure, where the breakthrough curves from column experiments were matched with one-dimensional theoretical models. The numerical code successfully simulated the basic characteristics of the two plumes in the tracer test. At early times the centers of mass of Br− and Li+ sank because the two plumes were closely coupled to the density-driven velocity field. At later times the rate of downward movement in the Br− plume due to gravity slowed significantly because of dilution by dispersion. The downward movement of the Li+ plume was negligible because the two plumes moved in locally different velocity regimes, where Li+ transport was retarded relative to Br−. The maximum extent of downward transport of the Li+ plume was less than that of the Br− plume. This study also found that at early times the downward movement of a plume created by a three-dimensional source could be much more extensive than the case with a two-dimensional source having the same cross-sectional area. The observed shape of the Br− plume at Cape Cod was simulated by adding two layers with different hydraulic conductivities at shallow depth across the region. The large dispersion and asymmetrical shape of the Li+ plume were simulated by including kinetic adsorption-desorption reactions.

  4. Formation of tripolar vortices in toroidal ion-temperature-gradient driven modes in the presence of dust contamination

    International Nuclear Information System (INIS)

    Mirza, Arshad M.; Qamar, Anisa; Khan, M. Yaqub; Ayub, M.

    2007-01-01

    A system of nonlinear equations that governs the dynamics of toroidal-ion-temperature-gradient (TITG) driven modes in the presence of dust contamination is presented. In the linear limit, a local dispersion relation is derived and analyzed for a flat density profile case. In the nonlinear case, and by taking some specific profiles of equilibrium density, ion temperature, magnetic field, and sheared plasma flows, the stationary solutions of the nonlinear system can be represented in the form of a tripolar vortex solution. Numerical results obtained in the present study show that the inclusion of dust modifies the nonlinear vortical structures, and the amplitude of the normalized potential is found to be increased in the presence of negatively charged dust grains. The results of our present investigation would be useful to understand some linear as well as nonlinear properties of TITG modes in a dust-contaminated tokamak plasma

  5. Hybrid Projected Gradient-Evolutionary Search Algorithm for Mixed Integer Nonlinear Optimization Problems

    National Research Council Canada - National Science Library

    Homaifar, Abdollah; Esterline, Albert; Kimiaghalam, Bahram

    2005-01-01

    The Hybrid Projected Gradient-Evolutionary Search Algorithm (HPGES) algorithm uses a specially designed evolutionary-based global search strategy to efficiently create candidate solutions in the solution space...

  6. Time-dependent density functional theory/discrete reaction field spectra of open shell systems: The visual spectrum of [FeIII(PyPepS)2]- in aqueous solution.

    Science.gov (United States)

    van Duijnen, Piet Th; Greene, Shannon N; Richards, Nigel G J

    2007-07-28

    We report the calculated visible spectrum of [FeIII(PyPepS)2]- in aqueous solution. From all-classical molecular dynamics simulations on the solute and 200 water molecules with a polarizable force field, 25 solute/solvent configurations were chosen at random from a 50 ps production run and subjected the systems to calculations using time-dependent density functional theory (TD-DFT) for the solute, combined with a solvation model in which the water molecules carry charges and polarizabilities. In each calculation the first 60 excited states were collected in order to span the experimental spectrum. Since the solute has a doublet ground state several excitations to states are of type "three electrons in three orbitals," each of which gives rise to a manifold of a quartet and two doublet states which cannot properly be represented by single Slater determinants. We applied a tentative scheme to analyze this type of spin contamination in terms of Delta and Delta transitions between the same orbital pairs. Assuming the associated states as pure single determinants obtained from restricted calculations, we construct conformation state functions (CFSs), i.e., eigenfunctions of the Hamiltonian Sz and S2, for the two doublets and the quartet for each Delta,Delta pair, the necessary parameters coming from regular and spin-flip calculations. It appears that the lower final states remain where they were originally calculated, while the higher states move up by some tenths of an eV. In this case filtering out these higher states gives a spectrum that compares very well with experiment, but nevertheless we suggest investigating a possible (re)formulation of TD-DFT in terms of CFSs rather than determinants.

  7. The use of UV, FT-IR and Raman spectra for the identification of the newest penem analogs: solutions based on mathematic procedure and the density functional theory.

    Science.gov (United States)

    Cielecka-Piontek, J; Lewandowska, K; Barszcz, B; Paczkowska, M

    2013-02-15

    The application of ultraviolet, FT-IR and Raman spectra was proposed for identification studies of the newest penem analogs (doripenem, biapenem and faropenem). An identification of the newest penem analogs based on their separation from related substances was achieved after the application of first derivative of direct spectra in ultraviolet which permitted elimination of overlapping effects. A combination of experimental and theoretical studies was performed for analyzing the structure and vibrational spectra (FT-IR and Raman spectra) of doripenem, biapenem and faropenem. The calculations were conducted using the density functional theory with the B3LYP hybrid functional and 6-31G(d,p) basis set. The confirmation of the applicability of the DFT methodology for interpretation of vibrational IR and Raman spectra of the newest penem analogs contributed to determination of changes of vibrations in the area of the most labile bonds. By employing the theoretical approach it was possible to eliminate necessity of using reference standards which - considering the instability of penem analogs - require that correction coefficients are factored in. Copyright © 2012 Elsevier B.V. All rights reserved.

  8. Observation of Enhanced Hole Extraction in Br Concentration Gradient Perovskite Materials.

    Science.gov (United States)

    Kim, Min-Cheol; Kim, Byeong Jo; Son, Dae-Yong; Park, Nam-Gyu; Jung, Hyun Suk; Choi, Mansoo

    2016-09-14

    Enhancing hole extraction inside the perovskite layer is the key factor for boosting photovoltaic performance. Realization of halide concentration gradient perovskite materials has been expected to exhibit rapid hole extraction due to the precise bandgap tuning. Moreover, a formation of Br-rich region on the tri-iodide perovskite layer is expected to enhance moisture stability without a loss of current density. However, conventional synthetic techniques of perovskite materials such as the solution process have not achieved the realization of halide concentration gradient perovskite materials. In this report, we demonstrate the fabrication of Br concentration gradient mixed halide perovskite materials using a novel and facile halide conversion method based on vaporized hydrobromic acid. Accelerated hole extraction and enhanced lifetime due to Br gradient was verified by observing photoluminescence properties. Through the combination of secondary ion mass spectroscopy and transmission electron microscopy with energy-dispersive X-ray spectroscopy analysis, the diffusion behavior of Br ions in perovskite materials was investigated. The Br-gradient was found to be eventually converted into a homogeneous mixed halide layer after undergoing an intermixing process. Br-substituted perovskite solar cells exhibited a power conversion efficiency of 18.94% due to an increase in open circuit voltage from 1.08 to 1.11 V and an advance in fill-factor from 0.71 to 0.74. Long-term stability was also dramatically enhanced after the conversion process, i.e., the power conversion efficiency of the post-treated device has remained over 97% of the initial value under high humid conditions (40-90%) without any encapsulation for 4 weeks.

  9. Wetting of flat gradient surfaces.

    Science.gov (United States)

    Bormashenko, Edward

    2018-04-01

    Gradient, chemically modified, flat surfaces enable directed transport of droplets. Calculation of apparent contact angles inherent for gradient surfaces is challenging even for atomically flat ones. Wetting of gradient, flat solid surfaces is treated within the variational approach, under which the contact line is free to move along the substrate. Transversality conditions of the variational problem give rise to the generalized Young equation valid for gradient solid surfaces. The apparent (equilibrium) contact angle of a droplet, placed on a gradient surface depends on the radius of the contact line and the values of derivatives of interfacial tensions. The linear approximation of the problem is considered. It is demonstrated that the contact angle hysteresis is inevitable on gradient surfaces. Electrowetting of gradient surfaces is discussed. Copyright © 2018 Elsevier Inc. All rights reserved.

  10. Discrete gradient methods for solving variational image regularisation models

    International Nuclear Information System (INIS)

    Grimm, V; McLachlan, Robert I; McLaren, David I; Quispel, G R W; Schönlieb, C-B

    2017-01-01

    Discrete gradient methods are well-known methods of geometric numerical integration, which preserve the dissipation of gradient systems. In this paper we show that this property of discrete gradient methods can be interesting in the context of variational models for image processing, that is where the processed image is computed as a minimiser of an energy functional. Numerical schemes for computing minimisers of such energies are desired to inherit the dissipative property of the gradient system associated to the energy and consequently guarantee a monotonic decrease of the energy along iterations, avoiding situations in which more computational work might lead to less optimal solutions. Under appropriate smoothness assumptions on the energy functional we prove that discrete gradient methods guarantee a monotonic decrease of the energy towards stationary states, and we promote their use in image processing by exhibiting experiments with convex and non-convex variational models for image deblurring, denoising, and inpainting. (paper)

  11. Photoemission spectra and density functional theory calculations of 3d transition metal-aqua complexes (Ti-Cu) in aqueous solution.

    Science.gov (United States)

    Yepes, Diana; Seidel, Robert; Winter, Bernd; Blumberger, Jochen; Jaque, Pablo

    2014-06-19

    Photoelectron spectroscopy measurements and density functional calculations are combined to determine the lowest electron binding energies of first-row transition-metal aqua ions, titanium through copper, with 3d(1) through 3d(9) electronic configurations, in their most common oxidation states. Vertical ionization energies are found to oscillate considerably between 6.76 and 9.65 eV for the dications and between 7.05 and 10.28 eV for the respective trivalent cations. The metal cations are modeled as [M(H2O)n](q+) clusters (q = 2, 3, and 4; n = 6 and 18) surrounded by continuum solvent. The performance of 10 exchange-correlation functionals, two GGAs, three MGGAs, two HGGAs and three HMGGAs, combined with the MDF10(ECP)/6-31+G(d,p) basis set is assessed for 11 M-O bond distances, 10 vertical ionization energies, 6 adiabatic ionization energies, and the associated reorganization free energies. We find that for divalent cations the HGGA and HMGGA functionals in combination with the 18 water model show the best agreement with experimental vertical ionization energies and geometries; for trivalent ions, the MGGA functionals perform best. The corresponding reorganization free energies (λo) of the oxidized ions are significantly underestimated with all DFT functionals and cluster models. This indicates that the structural reorganization of the solvation shell upon ionization is not adequately accounted for by the simple solvation models used, emphasizing the importance of extended sampling of thermally accessible solvation structures for an accurate computation of this quantity. The photoelectron spectroscopy measurements reported herein provide a comprehensive set of transition-metal redox energetic quantities for future electronic structure benchmarks.

  12. Using solution- and solid-state S K-edge X-ray absorption spectroscopy with density functional theory to evaluate M-S bonding for MS4(2-) (M = Cr, Mo, W) dianions.

    Science.gov (United States)

    Olson, Angela C; Keith, Jason M; Batista, Enrique R; Boland, Kevin S; Daly, Scott R; Kozimor, Stosh A; MacInnes, Molly M; Martin, Richard L; Scott, Brian L

    2014-12-14

    Herein, we have evaluated relative changes in M-S electronic structure and orbital mixing in Group 6 MS4(2-) dianions using solid- and solution-phase S K-edge X-ray absorption spectroscopy (XAS; M = Mo, W), as well as density functional theory (DFT; M = Cr, Mo, W) and time-dependent density functional theory (TDDFT) calculations. To facilitate comparison with solution measurements (conducted in acetonitrile), theoretical models included gas-phase calculations as well as those that incorporated an acetonitrile dielectric, the latter of which provided better agreement with experiment. Two pre-edge features arising from S 1s → e* and t electron excitations were observed in the S K-edge XAS spectra and were reasonably assigned as (1)A1 → (1)T2 transitions. For MoS4(2-), both solution-phase pre-edge peak intensities were consistent with results from the solid-state spectra. For WS4(2-), solution- and solid-state pre-edge peak intensities for transitions involving e* were equivalent, while transitions involving the t orbitals were less intense in solution. Experimental and computational results have been presented in comparison to recent analyses of MO4(2-) dianions, which allowed M-S and M-O orbital mixing to be evaluated as the principle quantum number (n) for the metal valence d orbitals increased (3d, 4d, 5d). Overall, the M-E (E = O, S) analyses revealed distinct trends in orbital mixing. For example, as the Group 6 triad was descended, e* (π*) orbital mixing remained constant in the M-S bonds, but increased appreciably for M-O interactions. For the t orbitals (σ* + π*), mixing decreased slightly for M-S bonding and increased only slightly for the M-O interactions. These results suggested that the metal and ligand valence orbital energies and radial extensions delicately influenced the orbital compositions for isoelectronic ME4(2-) (E = O, S) dianions.

  13. Modelling CO2-Brine Interfacial Tension using Density Gradient Theory

    KAUST Repository

    Ruslan, Mohd Fuad Anwari Che

    2018-01-01

    In this study, a new modelling strategy to compute CO2-brine IFT based on DGT was proposed. In the proposed model, ion distribution across interface was accounted for by separating the interface to two sections

  14. Gram-scale fractionation of nanodiamonds by density gradient ultracentrifugation.

    Science.gov (United States)

    Peng, Wei; Mahfouz, Remi; Pan, Jun; Hou, Yuanfang; Beaujuge, Pierre M; Bakr, Osman M

    2013-06-07

    Size is a defining characteristic of nanoparticles; it influences their optical and electronic properties as well as their interactions with molecules and macromolecules. Producing nanoparticles with narrow size distributions remains one of the main challenges to their utilization. At this time, the number of practical approaches to optimize the size distribution of nanoparticles in many interesting materials systems, including diamond nanocrystals, remains limited. Diamond nanocrystals synthesized by detonation protocols - so-called detonation nanodiamonds (DNDs) - are promising systems for drug delivery, photonics, and composites. DNDs are composed of primary particles with diameters mainly Applications requiring DNDs with specific particle or aggregate sizes are now within reach.

  15. Gram-scale fractionation of nanodiamonds by density gradient ultracentrifugation

    KAUST Repository

    Peng, Wei; Mahfouz, Remi; Pan, Jun; Hou, Yuanfang; Beaujuge, Pierre; Bakr, Osman

    2013-01-01

    challenges to their utilization. At this time, the number of practical approaches to optimize the size distribution of nanoparticles in many interesting materials systems, including diamond nanocrystals, remains limited. Diamond nanocrystals synthesized

  16. Coupling of hydraulic and electric gradients in sandy soils

    Energy Technology Data Exchange (ETDEWEB)

    Gregolec, G.; Zorn, R.; Kurzbach, A.; Roehl, K.E.; Czurda, K. [Dept. of Applied Geology, Univ. Karlsruhe (Germany)

    2001-07-01

    Laboratory studies were conducted to investigate the influence of hydraulic gradient on the migration of ions caused by an applied dc electric field. The model soil used was a uniform sand which was placed into an electrokinetic cell and saturated with sodium chloride solution. Applying only an electric gradient, steady state conditions are reached where the concentration distribution of sodium and chloride coincides with a theoretical model. The combination of electric and hydraulic gradients shows that it is possible to hinder ions from moving with the groundwater flow by applying an electric field. (orig.)

  17. Ponderomotive force effects on temperature-gradient-driven instabilities

    International Nuclear Information System (INIS)

    Sundaram, A.K.; Hershkowitz, N.

    1992-01-01

    The modification of temperature-gradient-driven instabilities due to the presence of nonuniform radio-frequency fields near the ion cyclotron frequency is investigated in the linear regime. Employing the fluid theory, it is shown that the induced field line compression caused by ion cyclotron range of frequencies (ICRF) fields makes the net parallel compressibility positive, and thus provides a stabilizing influence on the ion-temperature-gradient-driven mode for an appropriately tailored profile of radio-frequency (rf) pressure. Concomitantly, the radial ponderomotive force generates an additional contribution via coupling between the perturbed fluid motion and the equilibrium ponderomotive force and this effect plays the role of dissipation to enhance or decrease the growth of temperature-gradient-driven modes depending upon the sign of rf pressure gradients. For decreased growth of temperature-gradient-driven instabilities, the plasma density gradients and rf pressure gradients must have opposite signs while enhancement in growth arises when both gradients have the same sign. Finally, the kinetic effects associated with these modes are briefly discussed

  18. Color Gradient in the King Type Globular Cluster NGC 7089

    Directory of Open Access Journals (Sweden)

    Young-Jong Sohn

    1999-12-01

    Full Text Available We use BV CCD images to investigate the reality of the color gradient within a King type globular cluster NGC 7089. Surface photometry shows that there is a strong radial color gradient in the central region of the cluster in the sense of bluer center with the amplitude of -0.39 +/- 0.07 mag/arcsec2 in (B - V. In the outer region of the cluster, however, the radial color gradient shows a reverse case, i.e., redder toward the center. (B - V color profile which was derived from resolved stars in VGC 7089 field also shows a significant color gradient in the central region of the clusters, indicating that lights from the combination of red giant stars and blue horizontal branch stars cause the radial color gradient. Color gradient of the outer region of NGC 7089 may be due to the unresolved background of the cluster. Similar color gradients in the central area of clusters have been previously observed exserved exclusively in highly concentrated systems classified as post core collapse clusters. We caution, however, to confirm the reality of the color gradient from resolved stars, we need more accurate imaging data of the cluster with exceptional seeing condition because the effect of completeness correlates with local density of stars.

  19. Growth rate and surface morphology of 4H-SiC crystals grown from Si-Cr-C and Si-Cr-Al-C solutions under various temperature gradient conditions

    Science.gov (United States)

    Mitani, Takeshi; Komatsu, Naoyoshi; Takahashi, Tetsuo; Kato, Tomohisa; Fujii, Kuniharu; Ujihara, Toru; Matsumoto, Yuji; Kurashige, Kazuhisa; Okumura, Hajime

    2014-09-01

    The growth rate and surface morphology of 4H-SiC crystals prepared by solution growth with Si1-xCrx and Si1-x-yCrxAly (x=0.4, 0.5 and 0.6; y=0.04) solvents were investigated under various temperature conditions. The growth rate was examined as functions of the temperature difference between the growth surface and C source, the amount of supersaturated C and supersaturation at the growth surface. We found that generation of trench-like surface defects in 4H-SiC crystals was suppressed using Si1-x-yCrxAly solvents even under highly supersaturated conditions where the growth rate exceeded 760 μm/h. Conversely, trench-like defects were observed in crystals grown with Si1-xCrx solvents under all experimental conditions. Statistical observation of the macrostep structure showed that the macrostep height in crystals grown with Si1-x-yCrxAly solvents was maintained at lower levels than that obtained using Si1-xCrx solvents. Addition of Al prevents the macrosteps from developing into large steps, which are responsible for the generation of trench-like surface defects.

  20. Entanglement-Gradient Routing for Quantum Networks.

    Science.gov (United States)

    Gyongyosi, Laszlo; Imre, Sandor

    2017-10-27

    We define the entanglement-gradient routing scheme for quantum repeater networks. The routing framework fuses the fundamentals of swarm intelligence and quantum Shannon theory. Swarm intelligence provides nature-inspired solutions for problem solving. Motivated by models of social insect behavior, the routing is performed using parallel threads to determine the shortest path via the entanglement gradient coefficient, which describes the feasibility of the entangled links and paths of the network. The routing metrics are derived from the characteristics of entanglement transmission and relevant measures of entanglement distribution in quantum networks. The method allows a moderate complexity decentralized routing in quantum repeater networks. The results can be applied in experimental quantum networking, future quantum Internet, and long-distance quantum communications.

  1. Spectrum of resistivity gradient driven turbulence

    International Nuclear Information System (INIS)

    Terry, P.W.; Diamond, P.H.; Shaing, K.C.; Garcia, L.; Carreras, B.A.

    1986-01-01

    The resistivity fluctuation correlation function and electrostatic potential spectrum of resistivity gradient driven turbulence are calculated analytically and compared to the results of three dimensional numerical calculations. Resistivity gradient driven turbulence is characterized by effective Reynolds' numbers of order unity. Steady-state solution of the renormalized spectrum equations yields an electrostatic potential spectrum (circumflex phi 2 )/sub ktheta/ approx. k/sub theta//sup -3.25/. Agreement of the analytically calculated potential spectrum and mean-square radial velocity with the results of multiple helicity numerical calculations is excellent. This comparison constitutes a quantitative test of the analytical turbulence theory used. The spectrum of magnetic fluctuations is also calculated, and agrees well with that obtained from the numerical computations. 13 refs., 8 figs

  2. Substrate-Bound Protein Gradients to Study Haptotaxis

    Directory of Open Access Journals (Sweden)

    Sebastien G. Ricoult

    2015-03-01

    Full Text Available Cells navigate in response to inhomogeneous distributions of extracellular guidance cues. The cellular and molecular mechanisms underlying migration in response to gradients of chemical cues have been investigated for over a century. Following the introduction of micropipettes and more recently microfluidics for gradient generation, much attention and effort was devoted to study cellular chemotaxis, which is defined as guidance by gradients of chemical cues in solution. Haptotaxis, directional migration in response to gradients of substrate-bound cues, has received comparatively less attention; however it is increasingly clear that in vivo many physiologically relevant guidance proteins – including many secreted cues – are bound to cellular surfaces or incorporated into extracellular matrix and likely function via a haptotactic mechanism. Here, we review the history of haptotaxis. We examine the importance of the reference surface, the surface in contact with the cell that is not covered by the cue, which forms a gradient opposing the gradient of the protein cue and must be considered in experimental designs and interpretation of results. We review and compare microfluidics, contact-printing, light patterning and 3D fabrication to pattern substrate-bound protein gradients in vitro, and focus on their application to study axon guidance. The range of methods to create substrate-bound gradients discussed herein make possible systematic analyses of haptotactic mechanisms. Furthermore, understanding the fundamental mechanisms underlying cell motility will inform bioengineering approaches to program cell navigation and recover lost function.

  3. Gradient Boosting Machines, A Tutorial

    Directory of Open Access Journals (Sweden)

    Alexey eNatekin

    2013-12-01

    Full Text Available Gradient boosting machines are a family of powerful machine-learning techniques that have shown considerable success in a wide range of practical applications. They are highly customizable to the particular needs of the application, like being learned with respect to different loss functions. This article gives a tutorial introduction into the methodology of gradient boosting methods. A theoretical information is complemented with many descriptive examples and illustrations which cover all the stages of the gradient boosting model design. Considerations on handling the model complexity are discussed. A set of practical examples of gradient boosting applications are presented and comprehensively analyzed.

  4. Electronic structure and optical properties of CdS{sub x}Se{sub 1−x} solid solution nanostructures from X-ray absorption near edge structure, X-ray excited optical luminescence, and density functional theory investigations

    Energy Technology Data Exchange (ETDEWEB)

    Murphy, M. W. [DESY (Deutsches Elektronen-Synchrotron), FS-PEX, Notkestrasse 85, 22607 Hamburg (Germany); Yiu, Y. M., E-mail: yyiu@uwo.ca; Sham, T. K. [Department of Chemistry, University of Western Ontario, London, ON N6A5B7 (Canada); Ward, M. J. [Cornell High Energy Synchrotron Source (CHESS), Cornell University, Ithaca, NY 14853 (United States); Liu, L. [Institute of Functional Nano and Soft Materials (FUNSOM) and Soochow University-Western University Center for Synchrotron Radiation Research, Soochow University, Suzhou, Jiangsu, 215123 (China); Hu, Y. [Canadian Light Source, University of Saskatchewan, Saskatoon, SK S7N2V3 (Canada); Zapien, J. A. [Center Of Super-Diamond and Advanced Films (COSDAF) and Department of Physics and Materials Science, City University of Hong Kong, Hong Kong SAR (China); Liu, Yingkai [Institute of Physics and Electronic Information, Yunnan Normal University, Kunming, Yunnan, 650500 (China)

    2014-11-21

    The electronic structure and optical properties of a series of iso-electronic and iso-structural CdS{sub x}Se{sub 1−x} solid solution nanostructures have been investigated using X-ray absorption near edge structure, extended X-ray absorption fine structure, and X-ray excited optical luminescence at various absorption edges of Cd, S, and Se. It is found that the system exhibits compositions, with variable local structure in-between that of CdS and CdSe accompanied by tunable optical band gap between that of CdS and CdSe. Theoretical calculation using density functional theory has been carried out to elucidate the observations. It is also found that luminescence induced by X-ray excitation shows new optical channels not observed previously with laser excitation. The implications of these observations are discussed.

  5. Gradient waveform synthesis for magnetic propulsion using MRI gradient coils

    International Nuclear Information System (INIS)

    Han, B H; Lee, S Y; Park, S

    2008-01-01

    Navigating an untethered micro device in a living subject is of great interest for both diagnostic and therapeutic applications. Magnetic propulsion of an untethered device carrying a magnetic core in it is one of the promising methods to navigate the device. MRI gradients coils are thought to be suitable for navigating the device since they are capable of magnetic propulsion in any direction while providing magnetic resonance images. For precise navigation of the device, especially in the peripheral region of the gradient coils, the concomitant gradient fields, as well as the linear gradient fields in the main magnetic field direction, should be considered in driving the gradient coils. For simple gradient coil configurations, the Maxwell coil in the z-direction and the Golay coil in the x- and y-directions, we have calculated the magnetic force fields, which are not necessarily the same as the conventional linear gradient fields of MRI. Using the calculated magnetic force fields, we have synthesized gradient waveforms to navigate the device along a desired path

  6. Comparison of energy efficiency and power density in pressure retarded osmosis and reverse electrodialysis.

    Science.gov (United States)

    Yip, Ngai Yin; Elimelech, Menachem

    2014-09-16

    Pressure retarded osmosis (PRO) and reverse electrodialysis (RED) are emerging membrane-based technologies that can convert chemical energy in salinity gradients to useful work. The two processes have intrinsically different working principles: controlled mixing in PRO is achieved by water permeation across salt-rejecting membranes, whereas RED is driven by ion flux across charged membranes. This study compares the energy efficiency and power density performance of PRO and RED with simulated technologically available membranes for natural, anthropogenic, and engineered salinity gradients (seawater-river water, desalination brine-wastewater, and synthetic hypersaline solutions, respectively). The analysis shows that PRO can achieve both greater efficiencies (54-56%) and higher power densities (2.4-38 W/m(2)) than RED (18-38% and 0.77-1.2 W/m(2)). The superior efficiency is attributed to the ability of PRO membranes to more effectively utilize the salinity difference to drive water permeation and better suppress the detrimental leakage of salts. On the other hand, the low conductivity of currently available ion exchange membranes impedes RED ion flux and, thus, constrains the power density. Both technologies exhibit a trade-off between efficiency and power density: employing more permeable but less selective membranes can enhance the power density, but undesired entropy production due to uncontrolled mixing increases and some efficiency is sacrificed. When the concentration difference is increased (i.e., natural → anthropogenic → engineered salinity gradients), PRO osmotic pressure difference rises proportionally but not so for RED Nernst potential, which has logarithmic dependence on the solution concentration. Because of this inherently different characteristic, RED is unable to take advantage of larger salinity gradients, whereas PRO power density is considerably enhanced. Additionally, high solution concentrations suppress the Donnan exclusion effect of the

  7. Temperature Gradients on the Cell Wall in the Critical Viscosity Experiment

    Science.gov (United States)

    Berg, Robert F.; Moldover, Michael R.

    1993-01-01

    Because of the diverging susceptibility delta rho/delta Tau near the liquid-vapor critical point, temperature gradients must be kept small to maintain adequate sample homogeneity. In our Science Requirements Document we paid particular attention to radial density gradients caused by equilibration of the xenon sample. Axial density gradients were addressed through the requirement that the cell's copper wall have a gradient less than 22 microK/m. This report re-examines the cell wall's temperature distribution in more detail by estimating all known significant contributions to temperature differences on the cell's wall.

  8. Theory of resistivity-gradient-driven turbulence

    International Nuclear Information System (INIS)

    Garcia, L.; Carreras, B.A.; Diamond, P.H.; Callen, J.D.

    1984-10-01

    A theory of the nonlinear evolution and saturation of resistivity-driven turbulence, which evolves from linear rippling instabilities, is presented. The nonlinear saturation mechanism is identified both analytically and numerically. Saturation occurs when the turbulent diffusion of the resistivity is large enough so that dissipation due to parallel electron thermal conduction balances the nonlinearly modified resistivity gradient driving term. The levels of potential, resistivity, and density fluctuations at saturation are calculated. A combination of computational modeling and analytic treatment is used in this investigation

  9. Polymer solution phase separation: Microgravity simulation

    Science.gov (United States)

    Cerny, Lawrence C.; Sutter, James K.

    1989-01-01

    In many multicomponent systems, a transition from a single phase of uniform composition to a multiphase state with separated regions of different composition can be induced by changes in temperature and shear. The density difference between the phase and thermal and/or shear gradients within the system results in buoyancy driven convection. These differences affect kinetics of the phase separation if the system has a sufficiently low viscosity. This investigation presents more preliminary developments of a theoretical model in order to describe effects of the buoyancy driven convection in phase separation kinetics. Polymer solutions were employed as model systems because of the ease with which density differences can be systematically varied and because of the importance of phase separation in the processing and properties of polymeric materials. The results indicate that the kinetics of the phase separation can be performed viscometrically using laser light scattering as a principle means of following the process quantitatively. Isopycnic polymer solutions were used to determine the viscosity and density difference limits for polymer phase separation.

  10. Theory of neoclassical resistivity-gradient-driven turbulence

    International Nuclear Information System (INIS)

    Kwon, O.J.; Diamond, P.H.; Hahm, T.S.

    1988-12-01

    It is shown that rippling instabilities can tap the density gradient expansion free energy source through the density dependence of the neoclassical resistivity. Linear analyses show that the region where neoclassical rippling modes are significantly excited extends from the edge of the plasma to the region where ν/sub *e/ ≤ 1. Since these modes are non-dispersive, diamagnetic effects are negligible in comparison to the nonlinear decorrelation rate at saturation. Thus, the relevant regime is the 'strong turbulence' regime. The turbulent radial diffusivities of the temperature and the density are obtained as eigenvalues of the renormalized eigenmode equations at steady state. The density gradient acts to enhance the level of turbulence, compared to that driven by the temperature gradient alone. The saturated turbulent state is characterized by: current decoupling, the breakdown of Boltzmann relation, a radial mode scale of density fluctuations exceeding that of temperature fluctuations, implying that density diffusivity exceeds temperature diffusivity, and that density fluctuation levels exceed temperature fluctuation levels. Magnetic fluctuation levels are negligible. 29 refs., 1 fig

  11. Experimental characterization of the spreading and break-up of liquid flat-fan sheets discharging in a low-density atmosphere and application to BrLi solutions

    Energy Technology Data Exchange (ETDEWEB)

    Palacios, E. [Universidad Politecnica de Madrid (Spain). Departamento de Mecanica Industrial; Nogueira, J.; Rodriguez, P.A.; Lecuona, A. [Universidad Carlos III de Madrid (Spain). Departamento de Ingenieria Termica y de Fluidos

    2009-02-15

    This work presents and characterizes the existence of two different regimes in the spreading and break-up of liquid flat-fan sheets when discharging in low-density atmospheres. The motivation of the study is the improvement on the absorption phenomena of lithium bromide aqueous solution when discharging in a 600-1,500 Pa water vapor environment. This corresponds to the absorber conditions in current absorption closed-cycle cooling machines. Despite this, the dimensionless characterization obtained has universal validity. The conditions that define the change in the break-up regime, the dimensionless sheet break-up length and the break-up time are given as a function of the parameters involved. Digital particle tracking velocimetry (PTV) has been applied to measure the velocity field and additional visualization techniques have been used to further characterize the break-up process. The experiments verify the existence of critical gas-to-liquid density and viscosity ratios below which gas to liquid interaction becomes negligible. The article also offers expressions that define their values as a function of the other dimensionless parameters. (orig.)

  12. Denaturing gradient gel electrophoresis

    International Nuclear Information System (INIS)

    Kocherginskaya, S.A.; Cann, I.K.O.; Mackie, R.I.

    2005-01-01

    It is worthwhile considering that only some 30 species make up the bulk of the bacterial population in human faeces at any one time based on the classical cultivation-based approach. The situation in the rumen is similar. Thus, it is practical to focus on specific groups of interest within the complex community. These may be the predominant or the most active species, specific physiological groups or readily identifiable (genetic) clusters of phylogenetically related organisms. Several 16S rDNA fingerprinting techniques can be invaluable for selecting and monitoring sequences or phylogenetic groups of interest and are described below. Over the past few decades, considerable attention was focussed on the identification of pure cultures of microbes on the basis of genetic polymorphisms of DNA encoding rRNA such as ribotyping, amplified fragment length polymorphism and randomly amplified polymorphic DNA. However, many of these methods require prior cultivation and are less suitable for use in analysis of complex mixed populations although important in describing cultivated microbial diversity in molecular terms. Much less attention was given to molecular characterization of complex communities. In particular, research into diversity and community structure over time has been revolutionized by the advent of molecular fingerprinting techniques for complex communities. Denaturing or temperature gradient gel electrophoresis (DGGE/TGGE) methods have been successfully applied to the analysis of human, pig, cattle, dog and rodent intestinal populations

  13. Road density

    Data.gov (United States)

    U.S. Environmental Protection Agency — Road density is generally highly correlated with amount of developed land cover. High road densities usually indicate high levels of ecological disturbance. More...

  14. ac impedance, X-ray photoelectron spectroscopy and density functional theory studies of 3,5-bis(n-pyridyl)-1,2,4-oxadiazoles as efficient corrosion inhibitors for carbon steel surface in hydrochloric acid solution

    Energy Technology Data Exchange (ETDEWEB)

    Outirite, Moha; Lagrenee, Michel; Lebrini, Mounim [Unite de Catalyse et de Chimie du Solide, UMR-CNRS 8181, ENSCL, B.P. 90108, F-59652 Villeneuve d' Ascq Cedex (France); Traisnel, Michel; Jama, Charafeddine [Laboratoire des Procedes d' Elaboration des Revetements Fonctionnels, PERF UMR-CNRS 8008, ENSCL, B.P. 90108, F-59652 Villeneuve d' Ascq Cedex (France); Vezin, Herve [Laboratoire de Chimie Organique et Macromoleculaire, UMR-CNRS 8009, USTL Bat C4, F-59655 Villeneuve d' Ascq Cedex (France); Bentiss, Fouad, E-mail: fbentiss@enscl.f [Laboratoire de Chimie de Coordination et d' Analytique, Faculte des Sciences, Universite Chouaib Doukkali, B.P. 20, M-24000 El Jadida (Morocco)

    2010-02-01

    The corrosion inhibition properties of a new class of oxadiazole derivatives, namely 3,5-bis(n-pyridyl)-1,2,4-oxadiazoles (n-DPOX) for C38 carbon steel corrosion in 1 M HCl medium were analysed by electrochemical impedance spectroscopy (EIS). An adequate structural model of the interface was used and the values of the corresponding parameters were calculated and discussed. The experimental results showed that these compounds are excellent inhibitors for the C38 steel corrosion in acid solution and that the protection efficiency increased with increasing the inhibitors concentration. Electrochemical impedance data demonstrate that the addition of the n-DPOX derivatives in the corrosive solution decreases the charge capacitance and simultaneously increases the function of the charge/discharge of the interface, facilitating the formation of an adsorbed layer over the steel surface. Adsorption of these inhibitors on the steel surface obeys to the Langmuir adsorption isotherm. X-ray photoelectron spectroscopy (XPS) and the thermodynamic data of adsorption showed that inhibition of steel corrosion in normal hydrochloric solution by n-DPOX is due to the formation of a chemisorbed film on the steel surface. Quantum chemical calculations using the Density Functional Theory (DFT) and the Quantitative Structure Activity Relationship (QSAR) approach were performed on n-DPOX derivatives to determine the relationship between molecular structure and their inhibition efficiencies. The results of the quantum chemical calculations and experimental inhibition efficiency were subjected to correlation analysis and indicate that their inhibition effect is closely related to E{sub HOMO}, E{sub LUMO}, and dipole moment (mu).

  15. Characterization of gradient control systems

    NARCIS (Netherlands)

    Cortés, Jorge; van der Schaft, Arjan; Crouch, Peter E.

    2005-01-01

    Given a general nonlinear affine control system with outputs and a torsion-free affine connection defined on its state space, we investigate the gradient realization problem: we give necessary and sufficient conditions under which the control system can be written as a gradient control system

  16. Characterization of Gradient Control Systems

    NARCIS (Netherlands)

    Cortés, Jorge; Schaft, Arjan van der; Crouch, Peter E.

    2005-01-01

    Given a general nonlinear affine control system with outputs and a torsion-free affine connection defined on its state space, we investigate the gradient realization problem: we give necessary and sufficient conditions under which the control system can be written as a gradient control system

  17. Sobolev gradients and differential equations

    CERN Document Server

    Neuberger, J W

    2010-01-01

    A Sobolev gradient of a real-valued functional on a Hilbert space is a gradient of that functional taken relative to an underlying Sobolev norm. This book shows how descent methods using such gradients allow a unified treatment of a wide variety of problems in differential equations. For discrete versions of partial differential equations, corresponding Sobolev gradients are seen to be vastly more efficient than ordinary gradients. In fact, descent methods with these gradients generally scale linearly with the number of grid points, in sharp contrast with the use of ordinary gradients. Aside from the first edition of this work, this is the only known account of Sobolev gradients in book form. Most of the applications in this book have emerged since the first edition was published some twelve years ago. What remains of the first edition has been extensively revised. There are a number of plots of results from calculations and a sample MatLab code is included for a simple problem. Those working through a fair p...

  18. Electric field gradients in metals

    International Nuclear Information System (INIS)

    Schatz, G.

    1979-01-01

    A review of the recent works on electric field gradient in metals is given. The main emphasis is put on the temperature dependence of the electric field gradient in nonmagnetic metals. Some methods of investigation of this effect using nuclear probes are described. One of them is nuclear accoustic resonance method. (S.B.)

  19. PET regularization by envelope guided conjugate gradients

    International Nuclear Information System (INIS)

    Kaufman, L.; Neumaier, A.

    1996-01-01

    The authors propose a new way to iteratively solve large scale ill-posed problems and in particular the image reconstruction problem in positron emission tomography by exploiting the relation between Tikhonov regularization and multiobjective optimization to obtain iteratively approximations to the Tikhonov L-curve and its corner. Monitoring the change of the approximate L-curves allows us to adjust the regularization parameter adaptively during a preconditioned conjugate gradient iteration, so that the desired solution can be reconstructed with a small number of iterations

  20. The geomagnetic field gradient tensor

    DEFF Research Database (Denmark)

    Kotsiaros, Stavros; Olsen, Nils

    2012-01-01

    We develop the general mathematical basis for space magnetic gradiometry in spherical coordinates. The magnetic gradient tensor is a second rank tensor consisting of 3 × 3 = 9 spatial derivatives. Since the geomagnetic field vector B is always solenoidal (∇ · B = 0) there are only eight independent...... tensor elements. Furthermore, in current free regions the magnetic gradient tensor becomes symmetric, further reducing the number of independent elements to five. In that case B is a Laplacian potential field and the gradient tensor can be expressed in series of spherical harmonics. We present properties...... of the magnetic gradient tensor and provide explicit expressions of its elements in terms of spherical harmonics. Finally we discuss the benefit of using gradient measurements for exploring the Earth’s magnetic field from space, in particular the advantage of the various tensor elements for a better determination...

  1. On combined gravity gradient components modelling for applied geophysics

    International Nuclear Information System (INIS)

    Veryaskin, Alexey; McRae, Wayne

    2008-01-01

    Gravity gradiometry research and development has intensified in recent years to the extent that technologies providing a resolution of about 1 eotvos per 1 second average shall likely soon be available for multiple critical applications such as natural resources exploration, oil reservoir monitoring and defence establishment. Much of the content of this paper was composed a decade ago, and only minor modifications were required for the conclusions to be just as applicable today. In this paper we demonstrate how gravity gradient data can be modelled, and show some examples of how gravity gradient data can be combined in order to extract valuable information. In particular, this study demonstrates the importance of two gravity gradient components, Txz and Tyz, which, when processed together, can provide more information on subsurface density contrasts than that derived solely from the vertical gravity gradient (Tzz)

  2. Theory of ion-temperature-gradient-driven turbulence in tokamaks

    International Nuclear Information System (INIS)

    Lee, G.S.; Diamond, P.H.

    1986-01-01

    An analytic theory of ion-temperature-gradient-driven turbulence in tokamaks is presented. Energy-conserving, renormalized spectrum equations are derived and solved in order to obtain the spectra of stationary ion-temperature-gradient-driven turbulence. Corrections to mixing-length estimates are calculated explicitly. The resulting anomalous ion thermal diffusivity chi/sub i/ = 0.4[(π/2)ln(1 + eta/sub i/)] 2 [(1 + eta/sub i/)/tau] 2 rho/sub s/ 2 c/sub s//L/sub s/ is derived and is found to be consistent with experimentally-deduced thermal diffusivities. The associated electron thermal diffusivity and particle and heat-pinch velocities are also calculated. The effect of impurity gradients on saturated ion-temperature-gradient-driven turbulence is discussed and a related explanation of density profile steepening during Z-mode operation is proposed. 35 refs., 4 figs

  3. Formation of compositional gradient profiles by using shear-induced polymer migration phenomenon under Couette flow field

    Energy Technology Data Exchange (ETDEWEB)

    Im, Sang Hyuk; Lee, Su Jin [Kyung Hee University, Yongin (Korea, Republic of); Suh, Duck Jong; Park, O Ok [Korea Advanced Institute of Science and Technology (KAIST), Daejeon (Korea, Republic of); Kwon, Moo Hyun [Woosuk University, Wanju (Korea, Republic of)

    2015-07-15

    We investigated whether a graded-index profile, specified by the polymer compositional gradient, could be formed using shear-induced polymer migration phenomenon in a polymer solution. For the presented model system, we generated a shear flow by rotating a glass rod at the center of a polystyrene/methylmethacrylate (PS/MMA) solution and measured the degree of polymer migration by the shear flow field by examining the concentration of polymer solution along the radial direction from the rotating axis to the periphery. Through model experiments, we formed a compositional gradient and controlled its profile in the solution by varying the concentration of polymer solution, molecular weight of polymer, and shear rate. Finally, we solidified the gradient profiles by the polymerization of the PS/MMA solution and confirmed that the gradient profiles were maintained with a compositional gradient twice larger than the mother PS/MMA solution.

  4. An extended discrete gradient formula for oscillatory Hamiltonian systems

    International Nuclear Information System (INIS)

    Liu Kai; Shi Wei; Wu Xinyuan

    2013-01-01

    In this paper, incorporating the idea of the discrete gradient method into the extended Runge–Kutta–Nyström integrator, we derive and analyze an extended discrete gradient formula for the oscillatory Hamiltonian system with the Hamiltonian H(p,q)= 1/2 p T p+ 1/2 q T Mq+U(q), where q:R→R d represents generalized positions, p:R→R d represents generalized momenta and M is an element of R dxd is a symmetric and positive semi-definite matrix. The solution of this system is a nonlinear oscillator. Basically, many nonlinear oscillatory mechanical systems with a partitioned Hamiltonian function lend themselves to this approach. The extended discrete gradient formula presented in this paper exactly preserves the energy H(p, q). We derive some properties of the new formula. The convergence is analyzed for the implicit schemes based on the discrete gradient formula, and it turns out that the convergence of the implicit schemes based on the extended discrete gradient formula is independent of ‖M‖, which is a significant property for the oscillatory Hamiltonian system. Thus, it transpires that a larger step size can be chosen for the new energy-preserving schemes than that for the traditional discrete gradient methods when applied to the oscillatory Hamiltonian system. Illustrative examples show the competence and efficiency of the new schemes in comparison with the traditional discrete gradient methods in the scientific literature. (paper)

  5. Earthworm communities along an elevation gradient in Northeastern Puerto Rico.

    Science.gov (United States)

    Grizelle Gonzalez; Emerita Garcia; Veronica Cruz; Sonia Borges; Marcela Zalamea; Maria M. Rivera

    2007-01-01

    In this study, we describe earthworm communities along an elevation gradient of eight forest types in Northeastern Puerto Rico, and determine whether their abundance, biomass and/or diversity is related to climatic, soil physical/chemical and/or biotic characteristics. We found that the density, biomass, and diversity of worms varied significantly among forest types....

  6. Densities and apparent molar volumes of atmospherically important electrolyte solutions. 1. The solutes H2SO4, HNO3, HCl, Na2SO4, NaNO3, NaCl, (NH4)2SO4, NH4NO3, and NH4Cl from 0 to 50 °C, including extrapolations to very low temperature and to the pure liquid state, and NaHSO4, NaOH, and NH3 at 25 °C.

    Science.gov (United States)

    Clegg, S L; Wexler, A S

    2011-04-21

    Calculations of the size and density of atmospheric aerosols are complicated by the fact that they can exist at concentrations highly supersaturated with respect to dissolved salts and supercooled with respect to ice. Densities and apparent molar volumes of solutes in aqueous solutions containing the solutes H(2)SO(4), HNO(3), HCl, Na(2)SO(4), NaNO(3), NaCl, (NH(4))(2)SO(4), NH(4)NO(3), and NH(4)Cl have been critically evaluated and represented using fitted equations from 0 to 50 °C or greater and from infinite dilution to concentrations saturated or supersaturated with respect to the dissolved salts. Using extrapolated densities of high-temperature solutions and melts, the relationship between density and concentration is extended to the hypothetical pure liquid solutes. Above a given reference concentration of a few mol kg(-1), it is observed that density increases almost linearly with decreasing temperature, and comparisons with available data below 0 °C suggest that the fitted equations for density can be extrapolated to very low temperatures. As concentration is decreased below the reference concentration, the variation of density with temperature tends to that of water (which decreases as temperature is reduced below 3.98 °C). In this region below the reference concentration, and below 0 °C, densities are calculated using extrapolated apparent molar volumes which are constrained to agree at the reference concentrations with an equation for the directly fitted density. Calculated volume properties agree well with available data at low temperatures, for both concentrated and dilute solutions. Comparisons are made with literature data for temperatures of maximum density. Apparent molar volumes at infinite dilution are consistent, on a single ion basis, to better than ±0.1 cm(3) mol(-1) from 0 to 50 °C. Volume properties of aqueous NaHSO(4), NaOH, and NH(3) have also been evaluated, at 25 °C only. In part 2 of this work (ref 1 ) an ion interaction (Pitzer

  7. Monomers and polymers in a centrifugal field : a new method to produce refractive-index gradients in polymers

    NARCIS (Netherlands)

    Duijnhoven, van F.G.H.; Bastiaansen, C.W.M.

    1999-01-01

    A new method is presented to generate and to fixate compositional gradients in blends of two miscible and amorphous polymers. A compositional gradient is introduced into a solution of a polymer in a monomer by use of a centrifugal field, and this gradient is subsequently fixated by polymerization of

  8. Edge gradient and safety factor effects on electrostatic turbulent transport in tokamaks

    International Nuclear Information System (INIS)

    Tan, Ing Hwie.

    1992-05-01

    Electrostatic turbulence and transport measurements are performed on the Tokapole-II tokamak at the University of Wisconsin-Madison, as the safety-factor and the edge equilibrium gradients and varied substantially. Tokapole-II is a poloidal divertor tokamak capable of operating at a wide range of safety factors due to its unique magnetic limiter configuration. It also has retractable material limiters in a large scrape-off region, which permits the study of edge boundary conditions like density and temperature gradients. The turbulence is independent of safety factor, but strongly sensitive to the local density gradient, which itself depends upon the limiter configuration. When a material limiter is inserted in a high discharge, the density gradient is increased locally together with a local increase of the turbulence. On the other hand, limiter insertion in low discharges did not increase the density gradient as much and the turbulence properties are unchanged with respect to the magnetic limiter case. It is conducted then, that electrostatic turbulence is caused by the density gradient. Although the electrostatic fluctuation driven transport is enhanced in the large density gradient case, it is in all cases to small to explain the observed energy confinement times. To explore instabilities with small wavelengths, a 0.5 mm diameter shperical Langmuir probe was constructed, and its power compared with the power measured by larger cylindrical probes

  9. Resonant transducers for solid-state plasma density modulation

    Energy Technology Data Exchange (ETDEWEB)

    Hallock, Gary A., E-mail: hallock@ece.utexas.edu [The University of Texas at Austin, Austin, Texas 78701 (United States); Meier, Mark A., E-mail: mark.a.meier@exxonmobil.com [ExxonMobil Upstream Research Company, Houston, Texas 77389 (United States)

    2016-04-15

    We have developed transducers capable of modulating the plasma density and plasma density gradients in indium antimonide. These transducers make use of piezoelectric drivers to excite acoustic pressure resonance at 3λ/2, generating large amplitude standing waves and plasma density modulations. The plasma density has been directly measured using a laser diagnostic. A layered media model shows good agreement with the experimental measurements.

  10. Block-conjugate-gradient method

    International Nuclear Information System (INIS)

    McCarthy, J.F.

    1989-01-01

    It is shown that by using the block-conjugate-gradient method several, say s, columns of the inverse Kogut-Susskind fermion matrix can be found simultaneously, in less time than it would take to run the standard conjugate-gradient algorithm s times. The method improves in efficiency relative to the standard conjugate-gradient algorithm as the fermion mass is decreased and as the value of the coupling is pushed to its limit before the finite-size effects become important. Thus it is potentially useful for measuring propagators in large lattice-gauge-theory calculations of the particle spectrum

  11. HGMF of 10-L solutions

    International Nuclear Information System (INIS)

    Larkin, K.A.

    1994-01-01

    This test plan describes the activities associated with the High Gradient Magnetic Filtration (HGMF) of plutonium-bearing solutions (10-L). The 10-L solutions were received from Argonne National Laboratories in 1972, are highly acidic, and are considered unstable. The purpose of the testing is to show that HGMF is an applicable method of removing plutonium precipitates from solution. The plutonium then can be stored safely in a solid form

  12. Global solution for a chemotactic haptotactic model of cancer invasion

    Science.gov (United States)

    Tao, Youshan; Wang, Mingjun

    2008-10-01

    This paper deals with a mathematical model of cancer invasion of tissue recently proposed by Chaplain and Lolas. The model consists of a reaction-diffusion-taxis partial differential equation (PDE) describing the evolution of tumour cell density, a reaction-diffusion PDE governing the evolution of the proteolytic enzyme concentration and an ordinary differential equation modelling the proteolysis of the extracellular matrix (ECM). In addition to random motion, the tumour cells are directed not only by haptotaxis (cellular locomotion directed in response to a concentration gradient of adhesive molecules along the ECM) but also by chemotaxis (cellular locomotion directed in response to a concentration gradient of the diffusible proteolytic enzyme). In one space dimension, the global existence and uniqueness of a classical solution to this combined chemotactic-haptotactic model is proved for any chemotactic coefficient χ > 0. In two and three space dimensions, the global existence is proved for small χ/μ (where μ is the logistic growth rate of the tumour cells). The fundamental point of proof is to raise the regularity of a solution from L1 to Lp (p > 1). Furthermore, the existence of blow-up solutions to a sub-model in two space dimensions for large χ shows, to some extent, that the condition that χ/μ is small is necessary for the global existence of a solution to the full model.

  13. All Hazard Hotspots/Population Density

    Indian Academy of Sciences (India)

    This map shows hotspots of humanitarian risk for floods, cyclones, and drought overlaying a population density gradient. Blue areas with striped overlay represent areas of high population density that are also risk hotspots. These are at higher risk of future population displacement as a result of climate hazards.

  14. Threshold for the destabilisation of the ion-temperature-gradient mode in magnetically confined toroidal plasmas

    Science.gov (United States)

    Zocco, A.; Xanthopoulos, P.; Doerk, H.; Connor, J. W.; Helander, P.

    2018-02-01

    The threshold for the resonant destabilisation of ion-temperature-gradient (ITG) driven instabilities that render the modes ubiquitous in both tokamaks and stellarators is investigated. We discover remarkably similar results for both confinement concepts if care is taken in the analysis of the effect of the global shear . We revisit, analytically and by means of gyrokinetic simulations, accepted tokamak results and discover inadequacies of some aspects of their theoretical interpretation. In particular, for standard tokamak configurations, we find that global shear effects on the critical gradient cannot be attributed to the wave-particle resonance destabilising mechanism of Hahm & Tang (Phys. Plasmas, vol. 1, 1989, pp. 1185-1192), but are consistent with a stabilising contribution predicted by Biglari et al. (Phys. Plasmas, vol. 1, 1989, pp. 109-118). Extensive analytical and numerical investigations show that virtually no previous tokamak theoretical predictions capture the temperature dependence of the mode frequency at marginality, thus leading to incorrect instability thresholds. In the asymptotic limit , where is the rotational transform, and such a threshold should be solely determined by the resonant toroidal branch of the ITG mode, we discover a family of unstable solutions below the previously known threshold of instability. This is true for a tokamak case described by a local local equilibrium, and for the stellarator Wendelstein 7-X, where these unstable solutions are present even for configurations with a small trapped-particle population. We conjecture they are of the Floquet type and derive their properties from the Fourier analysis of toroidal drift modes of Connor & Taylor (Phys. Fluids, vol. 30, 1987, pp. 3180-3185), and to Hill's theory of the motion of the lunar perigee (Acta Math., vol. 8, 1886, pp. 1-36). The temperature dependence of the newly determined threshold is given for both confinement concepts. In the first case, the new temperature-gradient

  15. Thermoelectric properties of high electron concentration materials under large temperature gradients

    International Nuclear Information System (INIS)

    Bulat, L.P.; Stefansky, V.A.

    1994-01-01

    Theoretical methods of investigating of transport properties in solids under large temperature gradients are grounded. The nonlinear and non-local expressions for current density and heat flow are obtained with degenerated of current carriers gas. A number of new effects with large temperature gradients have been tested. Use of large temperature gradients leads to the increasing of the thermoelectric figure of merit. copyright 1995 American Institute of Physics

  16. Insectivorous Birds and Environmental Factors Across an Edge-Interior Gradient in Tropical Rainforest of Malaysia

    OpenAIRE

    Abdullah B. Mohd; Mohamed Zakaria; Hossein Varasteh Moradi; Ebil Yusof

    2009-01-01

    The study objectives were to test: (1) the effects of the edge-interior gradient on understorey insectivorous bird abundance, density and diversity; (2) effects of environmental variables along an edge-interior gradient at population level (i.e., on each sub-guilds and species abundance); (3) possible effects of environmental structure along an edge-interior gradient at community level (i.e., species richness, diversity and total abundance). Fifteen hundred and four birds belonging to ...

  17. Lung density

    DEFF Research Database (Denmark)

    Garnett, E S; Webber, C E; Coates, G

    1977-01-01

    The density of a defined volume of the human lung can be measured in vivo by a new noninvasive technique. A beam of gamma-rays is directed at the lung and, by measuring the scattered gamma-rays, lung density is calculated. The density in the lower lobe of the right lung in normal man during quiet...... breathing in the sitting position ranged from 0.25 to 0.37 g.cm-3. Subnormal values were found in patients with emphsema. In patients with pulmonary congestion and edema, lung density values ranged from 0.33 to 0.93 g.cm-3. The lung density measurement correlated well with the findings in chest radiographs...... but the lung density values were more sensitive indices. This was particularly evident in serial observations of individual patients....

  18. Adaptive Gradient Multiobjective Particle Swarm Optimization.

    Science.gov (United States)

    Han, Honggui; Lu, Wei; Zhang, Lu; Qiao, Junfei

    2017-10-09

    An adaptive gradient multiobjective particle swarm optimization (AGMOPSO) algorithm, based on a multiobjective gradient (stocktickerMOG) method and a self-adaptive flight parameters mechanism, is developed to improve the computation performance in this paper. In this AGMOPSO algorithm, the stocktickerMOG method is devised to update the archive to improve the convergence speed and the local exploitation in the evolutionary process. Meanwhile, the self-adaptive flight parameters mechanism, according to the diversity information of the particles, is then established to balance the convergence and diversity of AGMOPSO. Attributed to the stocktickerMOG method and the self-adaptive flight parameters mechanism, this AGMOPSO algorithm not only has faster convergence speed and higher accuracy, but also its solutions have better diversity. Additionally, the convergence is discussed to confirm the prerequisite of any successful application of AGMOPSO. Finally, with regard to the computation performance, the proposed AGMOPSO algorithm is compared with some other multiobjective particle swarm optimization algorithms and two state-of-the-art multiobjective algorithms. The results demonstrate that the proposed AGMOPSO algorithm can find better spread of solutions and have faster convergence to the true Pareto-optimal front.

  19. A Graphical-User Interface for the U. S. Geological Survey's SUTRA Code using Argus ONE (for simulation of variable-density saturated-unsaturated ground-water flow with solute or energy transport)

    Science.gov (United States)

    Voss, Clifford I.; Boldt, David; Shapiro, Allen M.

    1997-01-01

    This report describes a Graphical-User Interface (GUI) for SUTRA, the U.S. Geological Survey (USGS) model for saturated-unsaturated variable-fluid-density ground-water flow with solute or energy transport,which combines a USGS-developed code that interfaces SUTRA with Argus ONE, a commercial software product developed by Argus Interware. This product, known as Argus Open Numerical Environments (Argus ONETM), is a programmable system with geographic-information-system-like (GIS-like) functionality that includes automated gridding and meshing capabilities for linking geospatial information with finite-difference and finite-element numerical model discretizations. The GUI for SUTRA is based on a public-domain Plug-In Extension (PIE) to Argus ONE that automates the use of ArgusONE to: automatically create the appropriate geospatial information coverages (information layers) for SUTRA, provide menus and dialogs for inputting geospatial information and simulation control parameters for SUTRA, and allow visualization of SUTRA simulation results. Following simulation control data and geospatial data input bythe user through the GUI, ArgusONE creates text files in a format required for normal input to SUTRA,and SUTRA can be executed within the Argus ONE environment. Then, hydraulic head, pressure, solute concentration, temperature, saturation and velocity results from the SUTRA simulation may be visualized. Although the GUI for SUTRA discussed in this report provides all of the graphical pre- and post-processor functions required for running SUTRA, it is also possible for advanced users to apply programmable features within Argus ONE to modify the GUI to meet the unique demands of particular ground-water modeling projects.

  20. Diffusion weighted imaging with circularly polarized oscillating gradients

    DEFF Research Database (Denmark)

    Lundell, Henrik; Sønderby, Casper Kaae; Dyrby, Tim B

    2015-01-01

    presented. One major hurdle in practical implementation is the low effective diffusion weighting provided at high frequency with limited gradient strength. THEORY: As a solution to the low diffusion weighting of OGSE, circularly polarized OGSE (CP-OGSE) is introduced. CP-OGSE gives a twofold increase...

  1. Consolidation by Prefabricated Vertical Drains with a Threshold Gradient

    Directory of Open Access Journals (Sweden)

    Xiao Guo

    2014-01-01

    Full Text Available This paper shows the development of an approximate analytical solution of radial consolidation by prefabricated vertical drains with a threshold gradient. To understand the effect of the threshold gradient on consolidation, a parametric analysis was performed using the present solution. The applicability of the present solution was demonstrated in two cases, wherein the comparisons with Hansbo’s results and observed data were conducted. It was found that (1 the flow with the threshold gradient would not occur instantaneously throughout the whole unit cell. Rather, it gradually occurs from the vertical drain to the outside; (2 the moving boundary would never reach the outer radius of influence if R+1gradient is, the greater the long-term excess pore pressure will be; and (5 the present solution could predict the consolidation behavior in soft clay better than previous methods.

  2. Spatial gradient tuning in metamaterials

    Science.gov (United States)

    Driscoll, Tom; Goldflam, Michael; Jokerst, Nan; Basov, Dimitri; Smith, David

    2011-03-01

    Gradient Index (GRIN) metamaterials have been used to create devices inspired by, but often surpassing the potential of, conventional GRIN optics. The unit-cell nature of metamaterials presents the opportunity to exert much greater control over spatial gradients than is possible in natural materials. This is true not only during the design phase but also offers the potential for real-time reconfiguration of the metamaterial gradient. This ability fits nicely into the picture of transformation-optics, in which spatial gradients can enable an impressive suite of innovative devices. We discuss methods to exert control over metamaterial response, focusing on our recent demonstrations using Vanadium Dioxide. We give special attention to role of memristance and mem-capacitance observed in Vanadium Dioxide, which simplify the demands of stimuli and addressing, as well as intersecting metamaterials with the field of memory-materials.

  3. Electron-temperature-gradient-driven drift waves and anomalous electron energy transport

    International Nuclear Information System (INIS)

    Shukla, P.K.; Murtaza, G.; Weiland, J.

    1990-01-01

    By means of a kinetic description for ions and Braginskii's fluid model for electrons, three coupled nonlinear equations governing the dynamics of low-frequency short-wavelength electrostatic waves in the presence of equilibrium density temperature and magnetic-field gradients in a two-component magnetized plasma are derived. In the linear limit a dispersion relation that admits new instabilities of drift waves is presented. An estimate of the anomalous electron energy transport due to non-thermal drift waves is obtained by making use of the saturated wave potential, which is deduced from the mixing-length hypothesis. Stationary solutions of the nonlinear equations governing the interaction of linearly unstable drift waves are also presented. The relevance of this investigation to wave phenomena in space and laboratory plasmas is pointed out. (author)

  4. Low-gradient aortic stenosis.

    Science.gov (United States)

    Clavel, Marie-Annick; Magne, Julien; Pibarot, Philippe

    2016-09-07

    An important proportion of patients with aortic stenosis (AS) have a 'low-gradient' AS, i.e. a small aortic valve area (AVA gradient (gradient discrepancy raises uncertainty about the actual stenosis severity and thus about the indication for aortic valve replacement (AVR) if the patient has symptoms and/or left ventricular (LV) systolic dysfunction. The most frequent cause of low-gradient (LG) AS is the presence of a low LV outflow state, which may occur with reduced left ventricular ejection fraction (LVEF), i.e. classical low-flow, low-gradient (LF-LG), or preserved LVEF, i.e. paradoxical LF-LG. Furthermore, a substantial proportion of patients with AS may have a normal-flow, low-gradient (NF-LG) AS: i.e. a small AVA-low-gradient combination but with a normal flow. One of the most important clinical challenges in these three categories of patients with LG AS (classical LF-LG, paradoxical LF-LG, and NF-LG) is to differentiate a true-severe AS that generally benefits from AVR vs. a pseudo-severe AS that should be managed conservatively. A low-dose dobutamine stress echocardiography may be used for this purpose in patients with classical LF-LG AS, whereas aortic valve calcium scoring by multi-detector computed tomography is the preferred modality in those with paradoxical LF-LG or NF-LG AS. Although patients with LF-LG severe AS have worse outcomes than those with high-gradient AS following AVR, they nonetheless display an important survival benefit with this intervention. Some studies suggest that transcatheter AVR may be superior to surgical AVR in patients with LF-LG AS. Published on behalf of the European Society of Cardiology. All rights reserved. © The Author 2016. For permissions please email: journals.permissions@oup.com.

  5. Graded/Gradient Porous Biomaterials

    Directory of Open Access Journals (Sweden)

    Xigeng Miao

    2009-12-01

    Full Text Available Biomaterials include bioceramics, biometals, biopolymers and biocomposites and they play important roles in the replacement and regeneration of human tissues. However, dense bioceramics and dense biometals pose the problem of stress shielding due to their high Young’s moduli compared to those of bones. On the other hand, porous biomaterials exhibit the potential of bone ingrowth, which will depend on porous parameters such as pore size, pore interconnectivity, and porosity. Unfortunately, a highly porous biomaterial results in poor mechanical properties. To optimise the mechanical and the biological properties, porous biomaterials with graded/gradient porosity, pores size, and/or composition have been developed. Graded/gradient porous biomaterials have many advantages over graded/gradient dense biomaterials and uniform or homogenous porous biomaterials. The internal pore surfaces of graded/gradient porous biomaterials can be modified with organic, inorganic, or biological coatings and the internal pores themselves can also be filled with biocompatible and biodegradable materials or living cells. However, graded/gradient porous biomaterials are generally more difficult to fabricate than uniform or homogenous porous biomaterials. With the development of cost-effective processing techniques, graded/gradient porous biomaterials can find wide applications in bone defect filling, implant fixation, bone replacement, drug delivery, and tissue engineering.

  6. Study of the possibility of growing germanium single crystals under low temperature gradients

    Science.gov (United States)

    Moskovskih, V. A.; Kasimkin, P. V.; Shlegel, V. N.; Vasiliev, Y. V.; Gridchin, V. A.; Podkopaev, O. I.; Zhdankov, V. N.

    2014-03-01

    The possibility of growing germanium single crystals under low temperature gradients in order to produce a dislocation-free material has been studied. Germanium crystals with a dislocation density of about 100-200 cm-2 have been grown in a system with a weight control of crystal growth at maximum axial gradients of about 1.5 K/cm.

  7. Dose gradient curve: A new tool for evaluating dose gradient.

    Science.gov (United States)

    Sung, KiHoon; Choi, Young Eun

    2018-01-01

    Stereotactic radiotherapy, which delivers an ablative high radiation dose to a target volume for maximum local tumor control, requires a rapid dose fall-off outside the target volume to prevent extensive damage to nearby normal tissue. Currently, there is no tool to comprehensively evaluate the dose gradient near the target volume. We propose the dose gradient curve (DGC) as a new tool to evaluate the quality of a treatment plan with respect to the dose fall-off characteristics. The average distance between two isodose surfaces was represented by the dose gradient index (DGI) estimated by a simple equation using the volume and surface area of isodose levels. The surface area was calculated by mesh generation and surface triangulation. The DGC was defined as a plot of the DGI of each dose interval as a function of the dose. Two types of DGCs, differential and cumulative, were generated. The performance of the DGC was evaluated using stereotactic radiosurgery plans for virtual targets. Over the range of dose distributions, the dose gradient of each dose interval was well-characterized by the DGC in an easily understandable graph format. Significant changes in the DGC were observed reflecting the differences in planning situations and various prescription doses. The DGC is a rational method for visualizing the dose gradient as the average distance between two isodose surfaces; the shorter the distance, the steeper the dose gradient. By combining the DGC with the dose-volume histogram (DVH) in a single plot, the DGC can be utilized to evaluate not only the dose gradient but also the target coverage in routine clinical practice.

  8. Wetting boundary condition for the color-gradient lattice Boltzmann method: Validation with analytical and experimental data

    Science.gov (United States)

    Akai, Takashi; Bijeljic, Branko; Blunt, Martin J.

    2018-06-01

    In the color gradient lattice Boltzmann model (CG-LBM), a fictitious-density wetting boundary condition has been widely used because of its ease of implementation. However, as we show, this may lead to inaccurate results in some cases. In this paper, a new scheme for the wetting boundary condition is proposed which can handle complicated 3D geometries. The validity of our method for static problems is demonstrated by comparing the simulated results to analytical solutions in 2D and 3D geometries with curved boundaries. Then, capillary rise simulations are performed to study dynamic problems where the three-phase contact line moves. The results are compared to experimental results in the literature (Heshmati and Piri, 2014). If a constant contact angle is assumed, the simulations agree with the analytical solution based on the Lucas-Washburn equation. However, to match the experiments, we need to implement a dynamic contact angle that varies with the flow rate.

  9. Putting Priors in Mixture Density Mercer Kernels

    Science.gov (United States)

    Srivastava, Ashok N.; Schumann, Johann; Fischer, Bernd

    2004-01-01

    This paper presents a new methodology for automatic knowledge driven data mining based on the theory of Mercer Kernels, which are highly nonlinear symmetric positive definite mappings from the original image space to a very high, possibly infinite dimensional feature space. We describe a new method called Mixture Density Mercer Kernels to learn kernel function directly from data, rather than using predefined kernels. These data adaptive kernels can en- code prior knowledge in the kernel using a Bayesian formulation, thus allowing for physical information to be encoded in the model. We compare the results with existing algorithms on data from the Sloan Digital Sky Survey (SDSS). The code for these experiments has been generated with the AUTOBAYES tool, which automatically generates efficient and documented C/C++ code from abstract statistical model specifications. The core of the system is a schema library which contains template for learning and knowledge discovery algorithms like different versions of EM, or numeric optimization methods like conjugate gradient methods. The template instantiation is supported by symbolic- algebraic computations, which allows AUTOBAYES to find closed-form solutions and, where possible, to integrate them into the code. The results show that the Mixture Density Mercer-Kernel described here outperforms tree-based classification in distinguishing high-redshift galaxies from low- redshift galaxies by approximately 16% on test data, bagged trees by approximately 7%, and bagged trees built on a much larger sample of data by approximately 2%.

  10. Ab initio, density functional theory, and continuum solvation model prediction of the product ratio in the S(N)2 reaction of NO2(-) with CH3CH2Cl and CH3CH2Br in DMSO solution.

    Science.gov (United States)

    Westphal, Eduard; Pliego, Josefredo R

    2007-10-11

    The reaction pathways for the interaction of the nitrite ion with ethyl chloride and ethyl bromide in DMSO solution were investigated at the ab initio level of theory, and the solvent effect was included through the polarizable continuum model. The performance of BLYP, GLYP, XLYP, OLYP, PBE0, B3PW91, B3LYP, and X3LYP density functionals has been tested. For the ethyl bromide case, our best ab initio calculations at the CCSD(T)/aug-cc-pVTZ level predicts product ratio of 73% and 27% for nitroethane and ethyl nitrite, respectively, which can be compared with the experimental values of 67% and 33%. This translates to an error in the relative DeltaG* of only 0.17 kcal mol(-1). No functional is accurate (deviation X3LYP functional presents the best performance with deviation 0.82 kcal mol(-1). The present problem should be included in the test set used for the evaluation of new functionals.

  11. Strain gradient crystal plasticity: A continuum mechanics approach to modeling micro-structural evolution

    DEFF Research Database (Denmark)

    El-Naaman, Salim Abdallah; Nielsen, Kim Lau; Niordson, Christian Frithiof

    2015-01-01

    In agreement with dislocation theory, recent experiments show, both quantitatively and qualitatively, how geometrically necessary dislocations (GNDs) distribute in dislocation wall and cell structures. Hence, GND density fields are highly localized with large gradients and discontinuities occurring...

  12. Spectral edge: gradient-preserving spectral mapping for image fusion.

    Science.gov (United States)

    Connah, David; Drew, Mark S; Finlayson, Graham D

    2015-12-01

    This paper describes a novel approach to image fusion for color display. Our goal is to generate an output image whose gradient matches that of the input as closely as possible. We achieve this using a constrained contrast mapping paradigm in the gradient domain, where the structure tensor of a high-dimensional gradient representation is mapped exactly to that of a low-dimensional gradient field which is then reintegrated to form an output. Constraints on output colors are provided by an initial RGB rendering. Initially, we motivate our solution with a simple "ansatz" (educated guess) for projecting higher-D contrast onto color gradients, which we expand to a more rigorous theorem to incorporate color constraints. The solution to these constrained optimizations is closed-form, allowing for simple and hence fast and efficient algorithms. The approach can map any N-D image data to any M-D output and can be used in a variety of applications using the same basic algorithm. In this paper, we focus on the problem of mapping N-D inputs to 3D color outputs. We present results in five applications: hyperspectral remote sensing, fusion of color and near-infrared or clear-filter images, multilighting imaging, dark flash, and color visualization of magnetic resonance imaging diffusion-tensor imaging.

  13. A 2D finite element implementation of the Fleck–Willis strain-gradient flow theory

    DEFF Research Database (Denmark)

    Nielsen, Kim Lau; Niordson, Christian Frithiof

    2013-01-01

    The lay-out of a numerical solution procedure for the strain gradient flow (rate-independent) theory by Fleck and Willis [A mathematical basis for strain-gradient theory – Part II: Tensorial plastic multiplier, 57:1045–1057; 2009, JMPS] has been an open issue, and its finite element implementation...

  14. Treatment of Layered Structures Using a Semilocal meta-GGA Density Functional

    DEFF Research Database (Denmark)

    Madsen, Georg; Ferrighi, Lara; Hammer, Bjørk

    2010-01-01

    Density functional theory calculations on solids consisting of covalently bonded layers held together by dispersive interactions are presented. Utilizing the kinetic energy density in addition to the density and its gradients gives the meta-generalized gradient approximation (MGGA) M06-L enough...

  15. Rapid Gradient-Echo Imaging

    Science.gov (United States)

    Hargreaves, Brian

    2012-01-01

    Gradient echo sequences are widely used in magnetic resonance imaging (MRI) for numerous applications ranging from angiography to perfusion to functional MRI. Compared with spin-echo techniques, the very short repetition times of gradient-echo methods enable very rapid 2D and 3D imaging, but also lead to complicated “steady states.” Signal and contrast behavior can be described graphically and mathematically, and depends strongly on the type of spoiling: fully balanced (no spoiling), gradient spoiling, or RF-spoiling. These spoiling options trade off between high signal and pure T1 contrast while the flip angle also affects image contrast in all cases, both of which can be demonstrated theoretically and in image examples. As with spin-echo sequences, magnetization preparation can be added to gradient-echo sequences to alter image contrast. Gradient echo sequences are widely used for numerous applications such as 3D perfusion imaging, functional MRI, cardiac imaging and MR angiography. PMID:23097185

  16. The influence of ALN-Al gradient material gradient index on ballistic performance

    International Nuclear Information System (INIS)

    Wang Youcong; Liu Qiwen; Li Yao; Shen Qiang

    2013-01-01

    Ballistic performance of the gradient material is superior to laminated material, and gradient materials have different gradient types. Using ls-dyna to simulate the ballistic performance of ALN-AL gradient target plates which contain three gradient index (b = 1, b = 0.5, b = 2). Through Hopkinson bar numerical simulation to the target plate materials, we obtained the reflection stress wave and transmission stress wave state of gradient material to get the best gradient index. The internal stress state of gradient material is simulated by amplification processing of the target plate model. When the gradient index b is equal to 1, the gradient target plate is best of all.

  17. Low Bone Density

    Science.gov (United States)

    ... Density Exam/Testing › Low Bone Density Low Bone Density Low bone density is when your bone density ... people with normal bone density. Detecting Low Bone Density A bone density test will determine whether you ...

  18. The KdV—Burgers equation in a modified speed gradient continuum model

    International Nuclear Information System (INIS)

    Lai Ling-Ling; Ge Hong-Xia; Cheng Rong-Jun; Li Zhi-Peng

    2013-01-01

    Based on the full velocity difference model, Jiang et al. put forward the speed gradient model through the micro-macro linkage (Jiang R, Wu Q S and Zhu Z J 2001 Chin. Sci. Bull. 46 345 and Jiang R, Wu Q S and Zhu Z J 2002 Trans. Res. B 36 405). In this paper, the Taylor expansion is adopted to modify the model. The backward travel problem is overcome by our model, which exists in many higher-order continuum models. The neutral stability condition of the model is obtained through the linear stability analysis. Nonlinear analysis shows clearly that the density fluctuation in traffic flow leads to a variety of density waves. Moreover, the Korteweg-de Vries—Burgers (KdV—Burgers) equation is derived to describe the traffic flow near the neutral stability line and the corresponding solution for traffic density wave is derived. The numerical simulation is carried out to investigate the local cluster effects. The results are consistent with the realistic traffic flow and also further verify the results of nonlinear analysis

  19. Polarizable Density Embedding

    DEFF Research Database (Denmark)

    Olsen, Jógvan Magnus Haugaard; Steinmann, Casper; Ruud, Kenneth

    2015-01-01

    We present a new QM/QM/MM-based model for calculating molecular properties and excited states of solute-solvent systems. We denote this new approach the polarizable density embedding (PDE) model and it represents an extension of our previously developed polarizable embedding (PE) strategy. The PDE...... model is a focused computational approach in which a core region of the system studied is represented by a quantum-chemical method, whereas the environment is divided into two other regions: an inner and an outer region. Molecules belonging to the inner region are described by their exact densities...

  20. An efficient formulation and implementation of the analytic energy gradient method to the single and double excitation coupled-cluster wave function - Application to Cl2O2

    Science.gov (United States)

    Rendell, Alistair P.; Lee, Timothy J.

    1991-01-01

    The analytic energy gradient for the single and double excitation coupled-cluster (CCSD) wave function has been reformulated and implemented in a new set of programs. The reformulated set of gradient equations have a smaller computational cost than any previously published. The iterative solution of the linear equations and the construction of the effective density matrices are fully vectorized, being based on matrix multiplications. The new method has been used to investigate the Cl2O2 molecule, which has recently been postulated as an important intermediate in the destruction of ozone in the stratosphere. In addition to reporting computational timings, the CCSD equilibrium geometries, harmonic vibrational frequencies, infrared intensities, and relative energetics of three isomers of Cl2O2 are presented.