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Sample records for equilibrium density gradient

  1. 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)

  2. 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.

  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. 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.

  5. 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.

  6. Gradient descent learning in and out of equilibrium

    International Nuclear Information System (INIS)

    Caticha, Nestor; Araujo de Oliveira, Evaldo

    2001-01-01

    Relations between the off thermal equilibrium dynamical process of on-line learning and the thermally equilibrated off-line learning are studied for potential gradient descent learning. The approach of Opper to study on-line Bayesian algorithms is used for potential based or maximum likelihood learning. We look at the on-line learning algorithm that best approximates the off-line algorithm in the sense of least Kullback-Leibler information loss. The closest on-line algorithm works by updating the weights along the gradient of an effective potential, which is different from the parent off-line potential. A few examples are analyzed and the origin of the potential annealing is discussed

  7. Non-axisymmetric equilibrium reconstruction and suppression of density limit disruptions in a current-carrying stellarator

    Science.gov (United States)

    Ma, Xinxing; Ennis, D. A.; Hanson, J. D.; Hartwell, G. J.; Knowlton, S. F.; Maurer, D. A.

    2017-10-01

    Non-axisymmetric equilibrium reconstructions have been routinely performed with the V3FIT code in the Compact Toroidal Hybrid (CTH), a stellarator/tokamak hybrid. In addition to 50 external magnetic measurements, 160 SXR emissivity measurements are incorporated into V3FIT to reconstruct the magnetic flux surface geometry and infer the current distribution within the plasma. Improved reconstructions of current and q profiles provide insight into understanding the physics of density limit disruptions observed in current-carrying discharges in CTH. It is confirmed that the final scenario of the density limit of CTH plasmas is consistent with classic observations in tokamaks: current profile shrinkage leads to growing MHD instabilities (tearing modes) followed by a loss of MHD equilibrium. It is also observed that the density limit at a given current linearly increases with increasing amounts of 3D shaping fields. Consequently, plasmas with densities up to two times the Greenwald limit are attained. Equilibrium reconstructions show that addition of 3D fields effectively moves resonance surfaces towards the edge of the plasma where the current profile gradient is less, providing a stabilizing effect. This work is supported by US Department of Energy Grant No. DE-FG02-00ER54610.

  8. Planar-channeling spatial density under statistical equilibrium

    International Nuclear Information System (INIS)

    Ellison, J.A.; Picraux, S.T.

    1978-01-01

    The phase-space density for planar channeled particles has been derived for the continuum model under statistical equilibrium. This is used to obtain the particle spatial probability density as a function of incident angle. The spatial density is shown to depend on only two parameters, a normalized incident angle and a normalized planar spacing. This normalization is used to obtain, by numerical calculation, a set of universal curves for the spatial density and also for the channeled-particle wavelength as a function of amplitude. Using these universal curves, the statistical-equilibrium spatial density and the channeled-particle wavelength can be easily obtained for any case for which the continuum model can be applied. Also, a new one-parameter analytic approximation to the spatial density is developed. This parabolic approximation is shown to give excellent agreement with the exact calculations

  9. 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.

  10. Instability of the Shukla mode in a dusty plasma containing equilibrium density and magnetic field inhomogeneities

    International Nuclear Information System (INIS)

    Shukla, P.K.; Bharuthram, R.; Schlickeiser, R.

    2004-01-01

    It is shown that the dispersive Shukla mode [P.K. Shukla, Phys. Lett. A 316, 238 (2003)] can become unstable in the presence of equilibrium density and magnetic field inhomogeneities in a dusty plasma. A new dispersion relation for our nonuniform dusty magnetoplasma is derived and analyzed to show the modification of the Shukla mode frequency and its amplification due to combined action of the plasma density and magnetic field gradients. The present instability may account for the origin of low-frequency electromagnetic turbulence in molecular clouds and in cometary plasmas

  11. Modelling non-equilibrium thermodynamic systems from the speed-gradient principle.

    Science.gov (United States)

    Khantuleva, Tatiana A; Shalymov, Dmitry S

    2017-03-06

    The application of the speed-gradient (SG) principle to the non-equilibrium distribution systems far away from thermodynamic equilibrium is investigated. The options for applying the SG principle to describe the non-equilibrium transport processes in real-world environments are discussed. Investigation of a non-equilibrium system's evolution at different scale levels via the SG principle allows for a fresh look at the thermodynamics problems associated with the behaviour of the system entropy. Generalized dynamic equations for finite and infinite number of constraints are proposed. It is shown that the stationary solution to the equations, resulting from the SG principle, entirely coincides with the locally equilibrium distribution function obtained by Zubarev. A new approach to describe time evolution of systems far from equilibrium is proposed based on application of the SG principle at the intermediate scale level of the system's internal structure. The problem of the high-rate shear flow of viscous fluid near the rigid plane plate is discussed. It is shown that the SG principle allows closed mathematical models of non-equilibrium processes to be constructed.This article is part of the themed issue 'Horizons of cybernetical physics'. © 2017 The Author(s).

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. Equilibrium problems for Raney densities

    Science.gov (United States)

    Forrester, Peter J.; Liu, Dang-Zheng; Zinn-Justin, Paul

    2015-07-01

    The Raney numbers are a class of combinatorial numbers generalising the Fuss-Catalan numbers. They are indexed by a pair of positive real numbers (p, r) with p > 1 and 0 0 and similarly use both methods to identify the equilibrium problem for (p, r) = (θ/q + 1, 1/q), θ > 0 and q \\in Z+ . The Wiener-Hopf method is used to extend the latter to parameters (p, r) = (θ/q + 1, m + 1/q) for m a non-negative integer, and also to identify the equilibrium problem for a family of densities with moments given by certain binomial coefficients.

  17. A new estimation method for nuclide number densities in equilibrium cycle

    International Nuclear Information System (INIS)

    Seino, Takeshi; Sekimoto, Hiroshi; Ando, Yoshihira.

    1997-01-01

    A new method is proposed for estimating nuclide number densities of LWR equilibrium cycle by multi-recycling calculation. Conventionally, it is necessary to spend a large computation time for attaining the ultimate equilibrium state. Hence, the cycle in nearly constant fuel composition has been considered as an equilibrium state which can be achieved by a few of recycling calculations on a simulated cycle operation under a specific fuel core design. The present method uses steady state fuel nuclide number densities as the initial guess for multi-recycling burnup calculation obtained by a continuously fuel supplied core model. The number densities are modified to be the initial number densities for nuclides of a batch supplied fuel. It was found that the calculated number densities could attain to more precise equilibrium state than that of a conventional multi-recycling calculation with a small number of recyclings. In particular, the present method could give the ultimate equilibrium number densities of the nuclides with the higher mass number than 245 Cm and 244 Pu which were not able to attain to the ultimate equilibrium state within a reasonable number of iterations using a conventional method. (author)

  18. 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

  19. 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.

  20. 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...

  1. 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

  2. Convective equilibrium and mixing-length theory for stellarator reactors

    International Nuclear Information System (INIS)

    Ho, D.D.M.; Kulsrud, R.M.

    1985-09-01

    In high β stellarator and tokamak reactors, the plasma pressure gradient in some regions of the plasma may exceed the critical pressure gradient set by ballooning instabilities. In these regions, convective cells break out to enhance the transport. As a result, the pressure gradient can rise only slightly above the critical gradient and the plasma is in another state of equilibrium - ''convective equilibrium'' - in these regions. Although the convective transport cannot be calculated precisely, it is shown that the density and temperature profiles in the convective region can still be estimated. A simple mixing-length theory, similar to that used for convection in stellar interiors, is introduced in this paper to provide a qualitative description of the convective cells and to show that the convective transport is highly efficient. A numerical example for obtaining the density and temperature profiles in a stellarator reactor is given

  3. 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.

  4. 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

  5. Decay to Equilibrium for Energy-Reaction-Diffusion Systems

    KAUST Repository

    Haskovec, Jan

    2018-02-06

    We derive thermodynamically consistent models of reaction-diffusion equations coupled to a heat equation. While the total energy is conserved, the total entropy serves as a driving functional such that the full coupled system is a gradient flow. The novelty of the approach is the Onsager structure, which is the dual form of a gradient system, and the formulation in terms of the densities and the internal energy. In these variables it is possible to assume that the entropy density is strictly concave such that there is a unique maximizer (thermodynamical equilibrium) given linear constraints on the total energy and suitable density constraints. We consider two particular systems of this type, namely, a diffusion-reaction bipolar energy transport system, and a drift-diffusion-reaction energy transport system with confining potential. We prove corresponding entropy-entropy production inequalities with explicitly calculable constants and establish the convergence to thermodynamical equilibrium, first in entropy and later in L norm using Cziszár–Kullback–Pinsker type inequalities.

  6. Decay to Equilibrium for Energy-Reaction-Diffusion Systems

    KAUST Repository

    Haskovec, Jan; Hittmeir, Sabine; Markowich, Peter A.; Mielke, Alexander

    2018-01-01

    We derive thermodynamically consistent models of reaction-diffusion equations coupled to a heat equation. While the total energy is conserved, the total entropy serves as a driving functional such that the full coupled system is a gradient flow. The novelty of the approach is the Onsager structure, which is the dual form of a gradient system, and the formulation in terms of the densities and the internal energy. In these variables it is possible to assume that the entropy density is strictly concave such that there is a unique maximizer (thermodynamical equilibrium) given linear constraints on the total energy and suitable density constraints. We consider two particular systems of this type, namely, a diffusion-reaction bipolar energy transport system, and a drift-diffusion-reaction energy transport system with confining potential. We prove corresponding entropy-entropy production inequalities with explicitly calculable constants and establish the convergence to thermodynamical equilibrium, first in entropy and later in L norm using Cziszár–Kullback–Pinsker type inequalities.

  7. 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.)

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. Approach to equilibrium in a pure superconductor. The relaxation of the Cooper pair density

    Energy Technology Data Exchange (ETDEWEB)

    Schid, A

    1968-01-01

    Electron-phonon and electron-electron collisions are the processes which determine the relaxation time r/sub R/ of the Cooper pair density. The case is considered for which the deviation of the pair density from equilibrium is small and where the equilibrium state is homogeneous. Starting from the Eliashberg equation one is able to reduce the problem to a quadrature once the equilibrium Green functions are known.

  13. 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.

  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. Exploring Chemical and Thermal Non-equilibrium in Nitrogen Arcs

    International Nuclear Information System (INIS)

    Ghorui, S; Das, A K

    2012-01-01

    Plasma torches operating with nitrogen are of special importance as they can operate with usual tungsten based refractory electrodes and offer radical rich non-oxidizing high temperature environment for plasma chemistry. Strong gradients in temperature as well as species densities and huge convective fluxes lead to varying degrees of chemical non-equilibrium in associated regions. An axi-symmetric two-temperature chemical non-equilibrium model of a nitrogen plasma torch has been developed to understand the effects of thermal and chemical non-equilibrium in arcs. A 2-D finite volume CFD code in association with a non-equilibrium property routine enabled extraction of steady state self-consistent distributions of various plasma quantities inside the torch under various thermal and chemical non-equilibrium conditions. Chemical non-equilibrium has been incorporated through computation of diffusive and convective fluxes in each finite volume cell in every iteration and associating corresponding thermodynamic and transport properties through the scheme of 'chemical non-equilibrium parameter' introduced by Ghorui et. al. Recombination coefficient data from Nahar et. al. and radiation data from Krey and Morris have been used in the simulation. Results are presented for distributions of temperature, pressure, velocity, current density, electric potential, species densities and chemical non-equilibrium effects. Obtained results are compared with similar results under LTE.

  16. 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.

  17. 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.

  18. 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....

  19. 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.)

  20. 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.

  1. Ion-temperature-gradient-driven modes in bi-ion magnetoplasma

    Energy Technology Data Exchange (ETDEWEB)

    Batool, Nazia; Mirza, Arshad M [Theoretical Plasma Physics Group, Department of Physics, Quaid-i-Azam University, Islamabad 45320 (Pakistan); Qamar, Anisa [Department of Physics, Peshawar University, NWFP 25120 (Pakistan)], E-mail: nazia.batool@ncp.edu.pk

    2008-12-15

    The toroidal ion-temperature-gradient (ITG)-driven electrostatic drift waves are investigated for bi-ion plasmas with equilibrium density, temperature and magnetic field gradients. Using Braginskii's transport equations for the ions and Boltzmann distributed electrons, the mode coupling equations are derived. New ITG-driven modes are shown to exist. The results of the present study should be helpful to understand several wave phenomena in space and tokamak plasmas.

  2. 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.

  3. 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.

  4. 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.

  5. Electron density measurement of non-equilibrium atmospheric pressure plasma using dispersion interferometer

    Science.gov (United States)

    Yoshimura, Shinji; Kasahara, Hiroshi; Akiyama, Tsuyoshi

    2017-10-01

    Medical applications of non-equilibrium atmospheric plasmas have recently been attracting a great deal of attention, where many types of plasma sources have been developed to meet the purposes. For example, plasma-activated medium (PAM), which is now being studied for cancer treatment, has been produced by irradiating non-equilibrium atmospheric pressure plasma with ultrahigh electron density to a culture medium. Meanwhile, in order to measure electron density in magnetic confinement plasmas, a CO2 laser dispersion interferometer has been developed and installed on the Large Helical Device (LHD) at the National Institute for Fusion Science, Japan. The dispersion interferometer has advantages that the measurement is insensitive to mechanical vibrations and changes in neutral gas density. Taking advantage of these properties, we applied the dispersion interferometer to electron density diagnostics of atmospheric pressure plasmas produced by the NU-Global HUMAP-WSAP-50 device, which is used for producing PAM. This study was supported by the Grant of Joint Research by the National Institutes of Natural Sciences (NINS).

  6. 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.

  7. Surface density profile and surface tension of the one-component classical plasma

    International Nuclear Information System (INIS)

    Ballone, P.; Senatore, G.; Trieste Univ.; Tosi, M.P.; Oxford Univ.

    1982-08-01

    The density profile and the interfacial tension of two classical plasmas in equilibrium at different densities are evaluated in the square-density-gradient approximation. For equilibrium in the absence of applied external voltage, the profile is oscillatory in the higher-density plasma and the interfacial tension is positive. The amplitude and phase of these oscillations and the magnitude of the interfacial tension are related to the width of the background profile. Approximate representations of the equilibrium profile by matching of its asymptotic forms are analyzed. A comparison with computer simulation data and a critical discussion of a local-density theory are also presented. (author)

  8. 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

  9. 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

  10. 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

  11. 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

  12. 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.

  13. Mass flow and the validity of ionization equilibrium on the sun

    International Nuclear Information System (INIS)

    Joselyn, J.; Munro, R.H.; Holzer, T.E.

    1979-01-01

    Ionization equilibrium is a useful assumption which allows temperatures and other plasma properties to be deduced from spectral observations. Inherent to this assumption is the premise that the ion stage densities are determined solely by atomic processes which are local functions of the plasma temperature and electron density. However, if the time scale of plasma flow through a temperature gradient is less than the characteristic time scale for an important atomic process, deviations from the ionization stage densities expected for equilibrium will occur which could introduce serious errors into subsequent analyses. In the past few years, significant flow velocities in the upper solar atmosphere have been inferred from observations of emission lines originating in the transition region (about 10 4 -10 6 K) and corona. In this paper, 3 models of the solar atmosphere (quiet Sun, coronal hole, and a network model) are examined to determine if the emission expected from these model atmospheres could be produced from equilibrium ion populations when steady flows of several kilometers per second are assumed. If the flows are quasi-periodic instead of steady, spatial and temporal averaging inherent in the observations may allow for the construction of satisfactory models based on the assumption of ionization equilibrium. Representative emission lines are analysed for the following ions: C III, IV, O IV, V, VI, Ne VII, VIII, Mg IX, X, Si XII, Fe IX-XIV. Two principle conclusions are drawn. First, only the iron ions are generally in equilibrium for steady flows of 20 kms -1 . For carbon and oxygen, ionization equilibrium is not a valid assumption for steady flows as small as 1 kms -1 . Second, the 3 models representing different solar conditions behave in a qualitatively similar manner, implying that these results are not particularly model dependent over the range of temperature gradients and electron densities thus far inferred for the Sun. In view of the flow velocities

  14. 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.

  15. 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

  16. 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.)

  17. MHD Equilibrium with Reversed Current Density and Magnetic Islands Revisited: the Vacuum Vector Potential Calculus

    Science.gov (United States)

    L. Braga, F.

    2013-10-01

    The solution of Grad-Shafranov equation determines the stationary behavior of fusion plasma inside a tokamak. To solve the equation it is necessary to know the toroidal current density profile. Recent works show that it is possible to determine a magnetohydrodynamic (MHD) equilibrium with reversed current density (RCD) profiles that presents magnetic islands. In this work we show analytical MHD equilibrium with a RCD profile and analyze the structure of the vacuum vector potential associated with these equilibria using the virtual casing principle.

  18. One-Dimensional Vlasov-Maxwell Equilibrium for the Force-Free Harris Sheet

    International Nuclear Information System (INIS)

    Harrison, Michael G.; Neukirch, Thomas

    2009-01-01

    In this Letter, the first nonlinear force-free Vlasov-Maxwell equilibrium is presented. One component of the equilibrium magnetic field has the same spatial structure as the Harris sheet, but whereas the Harris sheet is kept in force balance by pressure gradients, in the force-free solution presented here force balance is maintained by magnetic shear. Magnetic pressure, plasma pressure and plasma density are constant. The method used to find the equilibrium is based on the analogy of the one-dimensional Vlasov-Maxwell equilibrium problem to the motion of a pseudoparticle in a two-dimensional conservative potential. The force-free solution can be generalized to a complete family of equilibria that describe the transition between the purely pressure-balanced Harris sheet to the force-free Harris sheet

  19. 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.

  20. Nonlinear equilibrium in Tokamaks including convective terms and viscosity

    International Nuclear Information System (INIS)

    Martin, P.; Castro, E.; Puerta, J.

    2003-01-01

    MHD equilibrium in tokamaks becomes very complex, when the non-linear convective term and viscosity are included in the momentum equation. In order to simplify the analysis, each new term has been separated in type gradient terms and vorticity depending terms. For the special case in which the vorticity vanishes, an extended Grad-Shafranov type equation can be obtained. However now the magnetic surface is not isobars or current surfaces as in the usual Grad-Shafranov treatment. The non-linear convective terms introduces gradient of Bernoulli type kinetic terms . Montgomery and other authors have shown the importance of the viscosity terms in tokamaks [1,2], here the treatment is carried out for the equilibrium condition, including generalized tokamaks coordinates recently described [3], which simplify the equilibrium analysis. Calculation of the new isobar surfaces is difficult and some computation have been carried out elsewhere for some particular cases [3]. Here, our analysis is extended discussing how the toroidal current density, plasma pressure and toroidal field are modified across the midplane because of the new terms (convective and viscous). New calculations and computations are also presented. (Author)

  1. 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...

  2. Equilibrium Structures and Absorption Spectra for SixOy Molecular Clusters using Density Functional Theory

    Science.gov (United States)

    2017-05-05

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--17-9724 Equilibrium Structures and Absorption Spectra for SixOy Molecular Clusters...TELEPHONE NUMBER (include area code) b. ABSTRACT c. THIS PAGE 18. NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Equilibrium Structures and Absorption...and electronic excited-state absorption spectra for eqilibrium structures of SixOy molecular clusters using density function theory (DFT) and time

  3. Sedimentation dynamics and equilibrium profiles in multicomponent mixtures of colloidal particles

    International Nuclear Information System (INIS)

    Spruijt, E; Biesheuvel, P M

    2014-01-01

    In this paper we give a general theoretical framework that describes the sedimentation of multicomponent mixtures of particles with sizes ranging from molecules to macroscopic bodies. Both equilibrium sedimentation profiles and the dynamic process of settling, or its converse, creaming, are modeled. Equilibrium profiles are found to be in perfect agreement with experiments. Our model reconciles two apparently contradicting points of view about buoyancy, thereby resolving a long-lived paradox about the correct choice of the buoyant density. On the one hand, the buoyancy force follows necessarily from the suspension density, as it relates to the hydrostatic pressure gradient. On the other hand, sedimentation profiles of colloidal suspensions can be calculated directly using the fluid density as apparent buoyant density in colloidal systems in sedimentation–diffusion equilibrium (SDE) as a result of balancing gravitational and thermodynamic forces. Surprisingly, this balance also holds in multicomponent mixtures. This analysis resolves the ongoing debate of the correct choice of buoyant density (fluid or suspension): both approaches can be used in their own domain. We present calculations of equilibrium sedimentation profiles and dynamic sedimentation that show the consequences of these insights. In bidisperse mixtures of colloids, particles with a lower mass density than the homogeneous suspension will first cream and then settle, whereas particles with a suspension-matched mass density form transient, bimodal particle distributions during sedimentation, which disappear when equilibrium is reached. In all these cases, the centers of the distributions of the particles with the lowest mass density of the two, regardless of their actual mass, will be located in equilibrium above the so-called isopycnic point, a natural consequence of their hard-sphere interactions. We include these interactions using the Boublik–Mansoori–Carnahan–Starling–Leland (BMCSL

  4. 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

  5. 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.

  6. Analysis of equilibrium and topology of tokamak plasmas

    International Nuclear Information System (INIS)

    Milligen, B.P. van.

    1991-01-01

    In a tokamak, the plasma is confined by means of a magnetic field. There exists an equilibrium between outward forces due to the pressure gradient in plasma and inward forces due to the interaction between currents flowing inside the plasma and the magnetic field. The equilibrium magnetic field is characterized by helical field lines that lie on nested toroidal surfaces of constant flux. The equilibrium yields values for global and local plasma parameters (e.g. plasma position, total current, local pressure). Thus, precise knowledge of the equilibrium is essential for plasma control, for the understanding of many phenomena occurring in the plasma (in particular departures from the ideal equilibrium involving current filamentation on the flux surfaces that lead to the formation of islands, i.e. nested helical flux surfaces), and for the interpretation of many different types of measurements (e.g. the translation of line integrated electron density measurements made by laser beams probing the plasma into a local electron density on a flux surface). The problem of determining the equilibrium magnetic field from external magnetic field measurements has been studied extensively in literature. The problem is 'ill-posed', which means that the solution is unstable to small changes in the measurement data, and the solution has to be constrained in order to stabilize it. Various techniques for handling this problem have been suggested in literature. Usually ad-hoc restrictions are imposed on the equilibrium solution in order to stabilize it. More equilibrium solvers are not able to handle very dissimilar measurement data which means information on the equilibrium is lost. The generally do not allow a straightforward error estimate of the obtained results to be made, and they require large amounts of computing time. This problems are addressed in this thesis. (author). 104 refs.; 42 figs.; 6 tabs

  7. 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

  8. 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.

  9. 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)

  10. 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.

  11. 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.

  12. 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.

  13. 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)

  14. Applicability of Stokes method for measuring viscosity of mixtures with concentration gradient

    Directory of Open Access Journals (Sweden)

    César Medina

    2017-12-01

    Full Text Available After measuring density and viscosity of a mixture of glycerin and water contained in a vertical pipe, a variation of these properties according to depth is observed. These gradients are typical of non-equilibrium states related to the lower density of water and the fact that relatively long times are necessary to achieve homogeneity. In the same pipe, the falling velocity of five little spheres is measured as a function of depth, and then a numerical fit is performed which agrees very well with experimental data. Based on the generalization of these results, the applicability of Stokes method is discussed for measuring viscosity of mixtures with a concentration gradient.

  15. 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

  16. 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.)

  17. 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

  18. Local thermodynamic equilibrium in rapidly heated high energy density plasmas

    International Nuclear Information System (INIS)

    Aslanyan, V.; Tallents, G. J.

    2014-01-01

    Emission spectra and the dynamics of high energy density plasmas created by optical and Free Electron Lasers (FELs) depend on the populations of atomic levels. Calculations of plasma emission and ionization may be simplified by assuming Local Thermodynamic Equilibrium (LTE), where populations are given by the Saha-Boltzmann equation. LTE can be achieved at high densities when collisional processes are much more significant than radiative processes, but may not be valid if plasma conditions change rapidly. A collisional-radiative model has been used to calculate the times taken by carbon and iron plasmas to reach LTE at varying densities and heating rates. The effect of different energy deposition methods, as well as Ionization Potential Depression are explored. This work shows regimes in rapidly changing plasmas, such as those created by optical lasers and FELs, where the use of LTE is justified, because timescales for plasma changes are significantly longer than the times needed to achieve an LTE ionization balance

  19. 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.

  20. 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.

  1. 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

  2. Chemical equilibrium model for high- Tc and heavy fermion superconductors: the density of states

    International Nuclear Information System (INIS)

    Kallio, A.; Hissa, J.; Hayrynen, T.; Braysy, V.; Sakkinen, T.

    1998-01-01

    The chemical equilibrium model is based on the idea of correlated electron pairs, which in singlet state can exist as quasimolecules in the superfluid and normal states of a superconductor. These preformed pairs are bosons which can undergo a Bose-Einstein condensation in analogy with the superfluidity of 4 He+ 3 He-mixture. The bosons (B ++ ) and the fermions (h + ) are in chemical equilibrium with respect to the reaction B ++ ↔ 2h + , at any temperature. The mean densities of bosons and fermions (quasiholes) n B (T) and n h (T) are determined from the thermodynamics of the equilibrium reaction in terms of a single function f(T). By thermodynamics the function f(T) is connected to equilibrium constant φ(T) by 1-f(T) = [1 + φ(T)] -1/2 . Using a simple power law, known to be valid near T = 0, for the chemical constant φ(T) α/t 2γ , t = T/T*, the mean density of quasiholes is given in closed form. This enables one to calculate the corresponding density of states (DOS) D(E) N s /N(0), by solving an integral equation. The NIS- tunneling conductivity near T = 0, given by D(E) compares well with the most recent experiments: D(E) ∼ E γ , for small E and a finite maximum of right size, corresponding to 'finite quasiparticle lifetime'. The corresponding SIS-tunneling conductivity is obtained from a simple convolution and is also in agreement with recent break junction experiments of Hancotte et al. The position of the maximum can be used to obtain the scaling temperature T*, which comes close to the one measured by Hall coefficient in the normal state. A simple explanation for the spingap effect in NMR is given. (Copyright (1998) World Scientific Publishing Co. Pte. Ltd)

  3. 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

  4. 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...

  5. 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

  6. Major parameters affecting the calculation of equilibrium factor using SSNTD-measured track densities

    International Nuclear Information System (INIS)

    Abo-Elmagd, M.; Mansy, M.; Eissa, H.M.; El-Fiki, M.A.

    2006-01-01

    The equilibrium factor F between radon and its daughters as a function of the track density ratio D/D 0 between bare and in can track detectors is solved graphically and gave more accurate solution than that solved mathematically elsewhere. The advantages of the graphical solution come from its simplicity and does not need any tedious mathematical formula or a computer program. The simplicity of this solution makes us study many parameters that affect the equilibrium factor determination such as the detector type, the diffusion chamber dimensions, the membrane specifications and the behavior of α-emitters around the detector. The results show that the equilibrium factor as a function of D/D 0 takes different form according to the facility used. The range of this study covers two widely used detectors (CR-39 and LR-115) equipped in two widely used diffusion chambers (small and medium chambers)

  7. Relativistic Fluid Dynamics Far From Local Equilibrium

    Science.gov (United States)

    Romatschke, Paul

    2018-01-01

    Fluid dynamics is traditionally thought to apply only to systems near local equilibrium. In this case, the effective theory of fluid dynamics can be constructed as a gradient series. Recent applications of resurgence suggest that this gradient series diverges, but can be Borel resummed, giving rise to a hydrodynamic attractor solution which is well defined even for large gradients. Arbitrary initial data quickly approaches this attractor via nonhydrodynamic mode decay. This suggests the existence of a new theory of far-from-equilibrium fluid dynamics. In this Letter, the framework of fluid dynamics far from local equilibrium for a conformal system is introduced, and the hydrodynamic attractor solutions for resummed Baier-Romatschke-Son-Starinets-Stephanov theory, kinetic theory in the relaxation time approximation, and strongly coupled N =4 super Yang-Mills theory are identified for a system undergoing Bjorken flow.

  8. 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

  9. 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.

  10. 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

  11. Pulse-density modulation control of chemical oscillation far from equilibrium in a droplet open-reactor system.

    Science.gov (United States)

    Sugiura, Haruka; Ito, Manami; Okuaki, Tomoya; Mori, Yoshihito; Kitahata, Hiroyuki; Takinoue, Masahiro

    2016-01-20

    The design, construction and control of artificial self-organized systems modelled on dynamical behaviours of living systems are important issues in biologically inspired engineering. Such systems are usually based on complex reaction dynamics far from equilibrium; therefore, the control of non-equilibrium conditions is required. Here we report a droplet open-reactor system, based on droplet fusion and fission, that achieves dynamical control over chemical fluxes into/out of the reactor for chemical reactions far from equilibrium. We mathematically reveal that the control mechanism is formulated as pulse-density modulation control of the fusion-fission timing. We produce the droplet open-reactor system using microfluidic technologies and then perform external control and autonomous feedback control over autocatalytic chemical oscillation reactions far from equilibrium. We believe that this system will be valuable for the dynamical control over self-organized phenomena far from equilibrium in chemical and biomedical studies.

  12. Influence of collective excitations on pre-equilibrium and equilibrium processes

    International Nuclear Information System (INIS)

    Ignatyuk, A.V.; Lunev, V.P.

    1990-01-01

    The influence of the collective states excitations on equilibrium and preequilibrium processes in reaction is discussed. It is shown that for a consistent description of the contribution of preequilibrium and equilibrium compound processes collective states should be taken into account in the level density calculations. The microscopic and phenomenological approaches for the level density calculations are discussed. 13 refs.; 8 figs

  13. Density and phase equilibrium of the binary system methane + n-decane under high temperatures and pressures

    DEFF Research Database (Denmark)

    Regueira Muñiz, Teresa; Pantelide, Georgia; Yan, Wei

    2016-01-01

    isothermal compressibility values were obtained by differentiation from the Tammann-Tait correlation ofthe determined density values. Isobaric thermal expansion coefficients were also calculated based on differentiation from the isobaric fit of density data. We also measured the phase equilibrium...

  14. Equilibrium and dynamics of uniform density ellipsoidal non-neutral plasmas

    International Nuclear Information System (INIS)

    Dubin, D.H.E.

    1993-01-01

    When a single-species plasma is confined in a harmonic Penning trap at cryogenic temperature, the thermal equilibrium is approximately a uniform density spheroid (ellipsoid of revolution). Normal modes corresponding to quadrupole excitations of this plasma have recently been measured. In this paper, nonlinear equations of motion are derived for these quadrupole oscillations. For large amplitudes, the oscillations deform a spheroidal plasma into a triaxial ellipsoid with time-dependent shape and orientation. The integrals of the motion are found and the cylindrically symmetric finite-amplitude oscillations of a spheroid are studied. An analysis of all possible ellipsoidal equilibria is also carried out. New equilibria are discovered which correspond to finite-amplitude versions of the noncylindrically symmetric linear quadrupole oscillations. The equilibria are shown to fall into two classes in which the ellipsoids are either tilted or aligned with respect to the magnetic field. Some of these equilibria have densities well above the Brillouin limit

  15. 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.

  16. 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.

  17. 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.

  18. Effects of internal structure on equilibrium of field-reversed configuration plasma sustained by rotating magnetic field

    International Nuclear Information System (INIS)

    Yambe, Kiyoyuki; Inomoto, Michiaki; Okada, Shigefumi; Kobayashi, Yuka; Asai, Tomohiko

    2008-01-01

    The effects of an internal structure on the equilibrium of a field-reversed configuration (FRC) plasma sustained by rotating magnetic field is investigated by using detailed electrostatic probe measurements in the FRC Injection Experiment apparatus [S. Okada, et al., Nucl. Fusion. 45, 1094 (2005)]. An internal structure installed axially on the geometrical axis, which simulates Ohmic transformer or external toroidal field coils on the FRC device, brings about substantial changes in plasma density profile. The internal structure generates steep density-gradients not only on the inner side but on the outer side of the torus. The radial electric field is observed to sustain the ion thermal pressure-gradient in the FRC without the internal structure; however, the radial electric field is not sufficient to sustain the increased ion thermal pressure-gradient in the FRC with the internal structure. Spontaneously driven azimuthal ion flow will be accountable for the imbalance of the radial pressure which is modified by the internal structure.

  19. 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.

  20. 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.

  1. Departures from local thermodynamic equilibrium in cutting arc plasmas derived from electron and gas density measurements using a two-wavelength quantitative Schlieren technique

    International Nuclear Information System (INIS)

    Prevosto, L.; Mancinelli, B.; Artana, G.; Kelly, H.

    2011-01-01

    A two-wavelength quantitative Schlieren technique that allows inferring the electron and gas densities of axisymmetric arc plasmas without imposing any assumption regarding statistical equilibrium models is reported. This technique was applied to the study of local thermodynamic equilibrium (LTE) departures within the core of a 30 A high-energy density cutting arc. In order to derive the electron and heavy particle temperatures from the inferred density profiles, a generalized two-temperature Saha equation together with the plasma equation of state and the quasineutrality condition were employed. Factors such as arc fluctuations that influence the accuracy of the measurements and the validity of the assumptions used to derive the plasma species temperature were considered. Significant deviations from chemical equilibrium as well as kinetic equilibrium were found at elevated electron temperatures and gas densities toward the arc core edge. An electron temperature profile nearly constant through the arc core with a value of about 14000-15000 K, well decoupled from the heavy particle temperature of about 1500 K at the arc core edge, was inferred.

  2. 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.

  3. Tolman temperature gradients in a gravitational field

    OpenAIRE

    Santiago, Jessica; Visser, Matt

    2018-01-01

    Tolman's relation for the temperature gradient in an equilibrium self-gravitating general relativistic fluid is broadly accepted within the general relativity community. However, the concept of temperature gradients in thermal equilibrium continues to cause confusion in other branches of physics, since it contradicts naive versions of the laws of classical thermodynamics. In this paper we discuss the crucial role of the universality of free fall, and how thermodynamics emphasises the great di...

  4. 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.

  5. Control of colloids with gravity, temperature gradients, and electric fields

    CERN Document Server

    Sullivan, M; Harrison, C; Austin, R H; Megens, M; Hollingsworth, A; Russel, W B; Cheng Zhen; Mason, T; Chaikin, P M

    2003-01-01

    We have used a variety of different applied fields to control the density, growth, and structure of colloidal crystals. Gravity exerts a body force proportional to the buoyant mass and in equilibrium produces a height-dependent concentration profile. A similar body force can be obtained with electric fields on charged particles (electrophoresis), a temperature gradient on all particles, or an electric field gradient on uncharged particles (dielectrophoresis). The last is particularly interesting since its magnitude and sign can be changed by tuning the applied frequency. We study these effects in bulk (making 'dielectrophoretic bottles' or traps), to control concentration profiles during nucleation and growth and near surfaces. We also study control of non-spherical and optically anisotropic particles with the light field from laser tweezers.

  6. Control of colloids with gravity, temperature gradients, and electric fields

    Energy Technology Data Exchange (ETDEWEB)

    Sullivan, Matt [Department of Physics, Princeton University, Princeton, NJ (United States); Zhao Kun [Department of Physics, Princeton University, Princeton, NJ (United States); Harrison, Christopher [Department of Physics, Princeton University, Princeton, NJ (United States); Austin, Robert H [Department of Physics, Princeton University, Princeton, NJ (United States); Megens, Mischa [Department of Physics, Princeton University, Princeton, NJ (United States); Hollingsworth, Andrew [Department of Chemical Engineering, Princeton University, Princeton, NJ (United States); Russel, William B [Department of Chemical Engineering, Princeton University, Princeton, NJ (United States); Cheng Zhengdong [ExxonMobil Research, Annandale, NJ (United States); Mason, Thomas [ExxonMobil Research, Annandale, NJ (United States); Chaikin, P M [Department of Physics, Princeton University, Princeton, NJ (United States)

    2003-01-15

    We have used a variety of different applied fields to control the density, growth, and structure of colloidal crystals. Gravity exerts a body force proportional to the buoyant mass and in equilibrium produces a height-dependent concentration profile. A similar body force can be obtained with electric fields on charged particles (electrophoresis), a temperature gradient on all particles, or an electric field gradient on uncharged particles (dielectrophoresis). The last is particularly interesting since its magnitude and sign can be changed by tuning the applied frequency. We study these effects in bulk (making 'dielectrophoretic bottles' or traps), to control concentration profiles during nucleation and growth and near surfaces. We also study control of non-spherical and optically anisotropic particles with the light field from laser tweezers.

  7. 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...

  8. Anomalous pH-Dependent Nanofluidic Salinity Gradient Power.

    Science.gov (United States)

    Yeh, Li-Hsien; Chen, Fu; Chiou, Yu-Ting; Su, Yen-Shao

    2017-12-01

    Previous studies on nanofluidic salinity gradient power (NSGP), where energy associated with the salinity gradient can be harvested with ion-selective nanopores, all suggest that nanofluidic devices having higher surface charge density should have higher performance, including osmotic power and conversion efficiency. In this manuscript, this viewpoint is challenged and anomalous counterintuitive pH-dependent NSGP behaviors are reported. For example, with equal pH deviation from its isoelectric point (IEP), the nanopore at pH IEP is shown to have smaller surface charge density but remarkably higher NSGP performance than that at pH > IEP. Moreover, for sufficiently low pH, the NSGP performance decreases with lowering pH (increasing nanopore charge density). As a result, a maximum osmotic power density as high as 5.85 kW m -2 can be generated along with a conversion efficiency of 26.3% achieved for a single alumina nanopore at pH 3.5 under a 1000-fold concentration ratio. Using the rigorous model with considering the surface equilibrium reactions on the pore wall, it is proved that these counterintuitive surface-charge-dependent NSGP behaviors result from the pH-dependent ion concentration polarization effect, which yields the degradation in effective concentration ratio across the nanopore. These findings provide significant insight for the design of next-generation, high-performance NSGP devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Effects of centrifugal modification of magnetohydrodynamic equilibrium on resistive wall mode stability

    International Nuclear Information System (INIS)

    Shiraishi, J.; Aiba, N.; Miyato, N.; Yagi, M.

    2014-01-01

    Toroidal rotation effects are self-consistently taken into account not only in the linear magnetohydrodynamic (MHD) stability analysis but also in the equilibrium calculation. The MHD equilibrium computation is affected by centrifugal force due to the toroidal rotation. To study the toroidal rotation effects on resistive wall modes (RWMs), a new code has been developed. The RWMaC modules, which solve the electromagnetic dynamics in vacuum and the resistive wall, have been implemented in the MINERVA code, which solves the Frieman–Rotenberg equation that describes the linear ideal MHD dynamics in a rotating plasma. It is shown that modification of MHD equilibrium by the centrifugal force significantly reduces growth rates of RWMs with fast rotation in the order of M 2  = 0.1 where M is the Mach number. Moreover, it can open a stable window which does not exist under the assumption that the rotation affects only the linear dynamics. The rotation modifies the equilibrium pressure gradient and current density profiles, which results in the change of potential energy including rotational effects. (paper)

  10. Pressure gradients fail to predict diffusio-osmosis

    Science.gov (United States)

    Liu, Yawei; Ganti, Raman; Frenkel, Daan

    2018-05-01

    We present numerical simulations of diffusio-osmotic flow, i.e. the fluid flow generated by a concentration gradient along a solid-fluid interface. In our study, we compare a number of distinct approaches that have been proposed for computing such flows and compare them with a reference calculation based on direct, non-equilibrium molecular dynamics simulations. As alternatives, we consider schemes that compute diffusio-osmotic flow from the gradient of the chemical potentials of the constituent species and from the gradient of the component of the pressure tensor parallel to the interface. We find that the approach based on treating chemical potential gradients as external forces acting on various species agrees with the direct simulations, thereby supporting the approach of Marbach et al (2017 J. Chem. Phys. 146 194701). In contrast, an approach based on computing the gradients of the microscopic pressure tensor does not reproduce the direct non-equilibrium results.

  11. Heavy quark energy loss far from equilibrium in a strongly coupled collision

    CERN Document Server

    Chesler, Paul M; Rajagopal, Krishna

    2013-01-01

    We compute and study the drag force acting on a heavy quark propagating through the matter produced in the collision of two sheets of energy in a strongly coupled gauge theory that can be analyzed holographically. Although this matter is initially far from equilibrium, we find that the equilibrium expression for heavy quark energy loss in a homogeneous strongly coupled plasma with the same instantaneous energy density or pressure as that at the location of the quark describes many qualitative features of our results. One interesting exception is that there is a time delay after the initial collision before the heavy quark energy loss becomes significant. At later times, once a liquid plasma described by viscous hydrodynamics has formed, expressions based upon assuming instantaneous homogeneity and equilibrium provide a semi-quantitative description of our results - as long as the rapidity of the heavy quark is not too large. For a heavy quark with large rapidity, the gradients in the velocity of the hydrodyna...

  12. 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

  13. Analysis of plasma equilibrium based on orbit-driven current density profile in steady-state plasma on QUEST

    Energy Technology Data Exchange (ETDEWEB)

    Nakamura, K., E-mail: nakamura@triam.kyushu-u.ac.jp [RIAM, Kyushu University, Kasuga 816-8580 (Japan); Alam, M.M. [IGSES, Kyushu University, Kasuga 816-8580 (Japan); Jiang, Y.Z. [Tsinghua University, Beijing 100084 (China); Mitarai, O. [Tokai University, Kumamoto 862-8652 (Japan); Kurihara, K.; Kawamata, Y.; Sueoka, M.; Takechi, M. [Japan Atomic Energy Agency, Naka 311-0193 (Japan); Hasegawa, M.; Tokunaga, K.; Araki, K.; Zushi, H.; Hanada, K.; Fujisawa, A.; Idei, H.; Nagashima, Y.; Kawasaki, S.; Nakashima, H.; Higashijima, A.; Nagata, T. [RIAM, Kyushu University, Kasuga 816-8580 (Japan); and others

    2016-11-01

    Highlights: • High energy particle guiding center orbit is calculated as a contour plot of conserved variable. • Current density profile is analyzed based on the orbit-driven current. • Plasma equilibrium is reconstructed by considering the hollow current profile. - Abstract: In the present RF-driven (ECCD) steady-state plasma on QUEST (B{sub t} = 0.25 T, R = 0.68 m, a = 0.40 m), plasma current seems to flow in the open magnetic surface outside of the closed magnetic surface in the low-field region according to plasma current fitting (PCF) method. We consider that the current in the open magnetic surface is due to orbit-driven current by high-energy particles in RF-driven plasma. So based on the analysis of current density profile based on the orbit-driven current, plasma equilibrium is to be calculated. We calculated high energy particles guiding center orbits as a contour plot of conserved variable in Hamiltonian formulation and considered particles initial position with different levels of energy and pitch angles that satisfy resonance condition. Then the profile of orbit-driven current is estimated by multiplying the particle density on the resonance surface and the velocity on the orbits. This analysis shows negative current near the magnetic axis and hollow current profile is expected even if pressure driven current is considered. Considering the hollow current profile shifted toward the low-field region, the equilibrium is fitted by J-EFIT coded by MATLAB.

  14. 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.

  15. 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)

  16. Identification of the EcoKI and EcoR1241 Type I Restriction-Modification Enzyme Subunits by Non-Equilibrium pH Gradient Two-Dimensional Gel Electrophoresis

    Czech Academy of Sciences Publication Activity Database

    Nguyen, L. D.; Cajthamlová, Kamila; Nguyen, H. T.; Weiser, Jaroslav; Holubová, Inge; Weiserová, Marie

    2002-01-01

    Roč. 47, č. 6 (2002), s. 641-648 ISSN 0015-5632 R&D Projects: GA ČR GA301/00/1369; GA ČR GA204/00/1252 Institutional research plan: CEZ:AV0Z5020903 Keywords : ecoki * non-equilibrium ph * gradient Subject RIV: EE - Microbiology, Virology Impact factor: 0.979, year: 2002

  17. Non-equilibrium concentration fluctuations in binary liquids with realistic boundary conditions.

    Science.gov (United States)

    Ortiz de Zárate, J M; Kirkpatrick, T R; Sengers, J V

    2015-09-01

    Because of the spatially long-ranged nature of spontaneous fluctuations in thermal non-equilibrium systems, they are affected by boundary conditions for the fluctuating hydrodynamic variables. In this paper we consider a liquid mixture between two rigid and impervious plates with a stationary concentration gradient resulting from a temperature gradient through the Soret effect. For liquid mixtures with large Lewis and Schmidt numbers, we are able to obtain explicit analytical expressions for the intensity of the non-equilibrium concentration fluctuations as a function of the frequency ω and the wave number q of the fluctuations. In addition we elucidate the spatial dependence of the intensity of the non-equilibrium fluctuations responsible for a non-equilibrium Casimir effect.

  18. 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...

  19. Density functional study of the bonding in small silicon clusters

    International Nuclear Information System (INIS)

    Fournier, R.; Sinnott, S.B.; DePristo, A.E.

    1992-01-01

    We report the ground electronic state, equilibrium geometry, vibrational frequencies, and binding energy for various isomers of Si n (n = 2--8) obtained with the linear combination of atomic orbitals-density functional method. We used both a local density approximation approach and one with gradient corrections. Our local density approximation results concerning the relative stability of electronic states and isomers are in agreement with Hartree--Fock and Moller--Plesset (MP2) calculations [K. Raghavachari and C. M. Rohlfing, J. Chem. Phys. 89, 2219 (1988)]. The binding energies calculated with the gradient corrected functional are in good agreement with experiment (Si 2 and Si 3 ) and with the best theoretical estimates. Our analysis of the bonding reveals two limiting modes of bonding and classes of silicon clusters. One class of clusters is characterized by relatively large s atomic populations and a large number of weak bonds, while the other class of clusters is characterized by relatively small s atomic populations and a small number of strong bonds

  20. 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

  1. 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.

  2. Density Functional Study of Chemical Reaction Equilibrium for Dimerization Reactions in Slit and Cylindrical Nanopores

    Czech Academy of Sciences Publication Activity Database

    Malijevský, Alexandr; Lísal, Martin

    2009-01-01

    Roč. 130, č. 16 (2009), 164713-1-24 ISSN 0021-9606 R&D Projects: GA ČR GA203/05/0725; GA AV ČR 1ET400720507; GA AV ČR KAN400720701 Institutional research plan: CEZ:AV0Z40720504 Keywords : density functional theory * reaction ensemble Monte Carlo * reaction equilibrium Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.093, year: 2009

  3. Thermodynamic evolution far from equilibrium

    Science.gov (United States)

    Khantuleva, Tatiana A.

    2018-05-01

    The presented model of thermodynamic evolution of an open system far from equilibrium is based on the modern results of nonequilibrium statistical mechanics, the nonlocal theory of nonequilibrium transport developed by the author and the Speed Gradient principle introduced in the theory of adaptive control. Transition to a description of the system internal structure evolution at the mesoscopic level allows a new insight at the stability problem of non-equilibrium processes. The new model is used in a number of specific tasks.

  4. Ion transition heights from topside electron density profiles

    International Nuclear Information System (INIS)

    Titheridge, J.E.

    1976-01-01

    Theoretical electron density profiles are calculated for the topside ionosphere to determine the major factors controlling the profile shape. Only the mean temperature, the vertical temperature gradient and the O + /H + ion transition height are important. Vertical proton fluxes alter the ion transition height but have no other effect on the profile shape. Diffusive equilibrium profiles including only these three effects fit observed profiles, at all latitudes, to within experimental accuracy. Values of plasma temperature, temperature gradient and ion transition height hsub(T) were determined by fitting theoretical models to 60,000 experimental profiles obtained from Alouette 1 ionograms, at latitudes of 75 0 S to 85 0 N near solar minimum. Inside the plasmasphere hsub(T) varies from about 500 km on winter nights to 850 km on summer days. Diurnal variations are caused primarily by the production and loss of O + in the ionosphere. The approximately constant winter night value of hsub(T) is close to the level for chemical equilibrium. In summer hsub(T) is always above the equilibrium level, giving a continual production of protons which travel along lines of force to aid in maintaining the conjugate winter night ionosphere. Outside the plasmasphere hsub(T) is 300 to 600 km above the equilibrium level at all times. This implies a continual near-limiting upwards flux of protons which persists down to latitudes of about 60 0 at night and 50 0 during the day. (author)

  5. Static Equilibrium Configurations of Charged Metallic Bodies

    African Journals Online (AJOL)

    Key words: Static equilibrium, charged metallic body, potential energy, projected gradient method. ... television, radio, internet, microwave ovens, mobile telephones, satellite communication systems, radar systems, electrical motors, electrical.

  6. 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.

  7. 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...

  8. 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

  9. 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

  10. 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...

  11. 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.

  12. Equilibrium finite-frequency noise of an interacting mesoscopic capacitor studied in time-dependent density functional theory

    Science.gov (United States)

    Dittmann, Niklas; Splettstoesser, Janine; Helbig, Nicole

    2018-03-01

    We calculate the frequency-dependent equilibrium noise of a mesoscopic capacitor in time-dependent density functional theory (TDDFT). The capacitor is modeled as a single-level quantum dot with on-site Coulomb interaction and tunnel coupling to a nearby reservoir. The noise spectra are derived from linear-response conductances via the fluctuation-dissipation theorem. Thereby, we analyze the performance of a recently derived exchange-correlation potential with time-nonlocal density dependence in the finite-frequency linear-response regime. We compare our TDDFT noise spectra with real-time perturbation theory and find excellent agreement for noise frequencies below the reservoir temperature.

  13. 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

  14. Anomalous non-equilibrium electron transport in one-dimensional quantum nano wire at half-filling: time dependent density renormalization group study

    Energy Technology Data Exchange (ETDEWEB)

    Okumura, M; Onishi, H; Yamada, S; Machida, M, E-mail: okumura@riken.j

    2010-11-01

    We study non-equilibrium properties of one-dimensional Hubbard model by the density-matrix renormalization-group method. First, we demonstrate stability of 'doublon', which characterized by double occupation on a site due to the integrability of the model. Next, we present a kind of anomalous transport caused by the doublons created under strong non-equilibrium conditions in an optical lattice system regarded as an ideal testbed to investigate fundamental properties of the Hubbard model. Finally, we give a result on development of the pair correlation function in a strong non-equilibrium condition. This can be understood as a development of coherence among many excited doublons.

  15. 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.

  16. 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

  17. 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.

  18. 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

  19. Mass-density compensation can improve the performance of a range of different detectors under non-equilibrium conditions

    International Nuclear Information System (INIS)

    Underwood, T S A; Hill, M A; Winter, H C; Fenwick, J D

    2013-01-01

    Dosimeters often consist of several components whose mass densities differ substantially from water. These components cause small-field correction factors to vary significantly as lateral electronic equilibrium breaks down. Even amongst instruments designed for small-field dosimetry, inter-detector variation in the correction factors associated with very small (∼0.5 cm) fields can amount to tens of per cent. For a given dosimeter, small-field correction factors vary not only with field size but also with detector azimuthal angle and position within the field. Furthermore the accurate determination of these factors typically requires time-intensive Monte Carlo simulations. Thus, if achievable, ‘correction factor free’ small-field dosimetry would be highly desirable. This study demonstrates that a new generation of mass-density compensated detectors could take us towards this goal. Using a 6 MV beam model, it shows that ‘mass-density compensation’ can be utilized to improve the performance of a range of different detectors under small-field conditions. Non-sensitive material of appropriate mass-density is incorporated into detector designs in order to make the instruments behave as if consisting only of water. The dosimeter perturbative effects are then reduced to those associated with volume averaging. An even better solution—which modifies detectors to obtain profiles that look like those measured by a point-like water structure—is also considered. Provided that adequate sensitivity can be achieved for a small measurement volume, this study shows that it may be possible to use mass-density compensation (and Monte Carlo-driven design) to produce a solid-state dosimeter/ionization chamber with a near-perfect non-equilibrium response. (paper)

  20. Inter-ELM evolution of the edge current density profile on the ASDEX Upgrade tokamak

    International Nuclear Information System (INIS)

    Dunne, Michael G.

    2014-01-01

    The sudden decrease of plasma stored energy and subsequent power deposition on the first wall of a tokamak device due to edge localised modes (ELMs) is potentially detrimental to the success of a future fusion reactor. Understanding and control of ELMs is critical for the longevity of these devices and also to maximise their performance. The commonly accepted picture of ELMs posits a critical pressure gradient and current density in the plasma edge, above which coupled magnetohydrodynamic (MHD) peeling-ballooning modes are driven unstable. Much analysis has been presented in recent years on the spatial and temporal evolution of the edge pressure gradient. However, the edge current density has typically been overlooked due to the difficulties in measuring this quantity. In this thesis, a novel method of current density recovery is presented, using the equilibrium solver CLISTE to reconstruct a high resolution equilibrium utilising both external magnetic and internal edge kinetic data measured on the ASDEX Upgrade (AUG) tokamak. The evolution of the edge current density relative to an ELM crash is presented, showing that a resistive delay in the buildup of the current density is unlikely. An uncertainty analysis shows that the edge current density can be determined with an accuracy consistent with that of the kinetic data used. A comparison with neoclassical theory demonstrates excellent agreement between the current density determined by CLISTE and the calculated profiles. Three ELM mitigation regimes are investigated: Type-II ELMs, ELMs suppressed by external magnetic perturbations (MPs), and Nitrogen seeded ELMs. In the first two cases, the current density is found to decrease as mitigation onsets, indicating a more ballooning-like plasma behaviour. In the latter case, the flux surface averaged current density can decrease while the local current density increases, thus providing a mechanism to suppress both the peeling and ballooning modes.

  1. Inter-ELM evolution of the edge current density profile on the ASDEX Upgrade tokamak

    Energy Technology Data Exchange (ETDEWEB)

    Dunne, Michael G.

    2014-02-15

    The sudden decrease of plasma stored energy and subsequent power deposition on the first wall of a tokamak device due to edge localised modes (ELMs) is potentially detrimental to the success of a future fusion reactor. Understanding and control of ELMs is critical for the longevity of these devices and also to maximise their performance. The commonly accepted picture of ELMs posits a critical pressure gradient and current density in the plasma edge, above which coupled magnetohydrodynamic (MHD) peeling-ballooning modes are driven unstable. Much analysis has been presented in recent years on the spatial and temporal evolution of the edge pressure gradient. However, the edge current density has typically been overlooked due to the difficulties in measuring this quantity. In this thesis, a novel method of current density recovery is presented, using the equilibrium solver CLISTE to reconstruct a high resolution equilibrium utilising both external magnetic and internal edge kinetic data measured on the ASDEX Upgrade (AUG) tokamak. The evolution of the edge current density relative to an ELM crash is presented, showing that a resistive delay in the buildup of the current density is unlikely. An uncertainty analysis shows that the edge current density can be determined with an accuracy consistent with that of the kinetic data used. A comparison with neoclassical theory demonstrates excellent agreement between the current density determined by CLISTE and the calculated profiles. Three ELM mitigation regimes are investigated: Type-II ELMs, ELMs suppressed by external magnetic perturbations (MPs), and Nitrogen seeded ELMs. In the first two cases, the current density is found to decrease as mitigation onsets, indicating a more ballooning-like plasma behaviour. In the latter case, the flux surface averaged current density can decrease while the local current density increases, thus providing a mechanism to suppress both the peeling and ballooning modes.

  2. Equilibrium structure and Ti-catalyzed H-2 desorption in NaAlH4 nanoparticles from density functional theory

    DEFF Research Database (Denmark)

    Vegge, T.

    2006-01-01

    the kinetics significantly, the physical understanding remains elusive. Density functional theory is used to calculate the energy of the potential low energy surfaces of NaAlH4 to establish the equilibrium particle shape, and furthermore to determine the deposition energy of Ti/TiH2 and the substitutional...

  3. 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.

  4. 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.

  5. Topics on MHD equilibrium and stability in heliotron / torsatron

    International Nuclear Information System (INIS)

    Ichiguchi, Katsuji; Nakajima, Noriyoshi; Okamoto, Masao.

    1996-10-01

    Recent topics on the MHD properties with and without bootstrap current in Heliotron / Torsatron configurations are presented. In a currentless equilibrium with a large Shafranov shift, a high-n ballooning mode can be unstable even in the region with positive gradient of the rotational transform. This is because the local shear in the field line bending term can be reduced by the fact that the local enhancement of the poloidal field varies in the radial direction. Since the local curvature of the field lines depends on the label of the magnetic field line, α, in Heliotron / Torsatron, the eigenvalue ω 2 also depends on α. In the Mercier stable region, the level surfaces of ω 2 of unstable modes form spheroids in the (ψ, θ k , α) space, where ψ and θ k are the label of the flux surface and the radial wave number, while they form cylinders in tokamaks. Such high-n modes cannot be related to low-n modes in this case. In the LHD configuration, bootstrap current depends on the collisionality of the plasma. When the beta value is raised by increasing the temperature with the density fixed, the plasma becomes less collisional and the bootstrap current grows in the direction where the rotational transform is increased. On the contrary, when the beta value is raised by increasing the density with the temperature fixed, the plasma becomes more collisional. While a small amount of the current flows in the same direction as in the above sequence at low beta in this case, the direction of the current reverses at high beta equilibrium. This is because the geometrical factor in the expression of the bootstrap current in the plateau regime has opposite signature to that in the 1/ν regime. The latter equilibrium sequence is more stable in the Mercier criterion than the former one. Thus, the beta should be raised by increasing the density rather than the temperature to obtain stable high beta plasma. (author)

  6. 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.

  7. Excitation of macromagnetohydrodynamic mode due to multiscale interaction in a quasi-steady equilibrium formed by a balance between microturbulence and zonal flow

    International Nuclear Information System (INIS)

    Ishizawa, A.; Nakajima, N.

    2007-01-01

    This is the first numerical simulation demonstrating that a macromagnetohydrodynamic (macro-MHD) mode is excited as a result of multi-scale interaction in a quasi-steady equilibrium formed by a balance between microturbulence and zonal flow based on a reduced two-fluid model. This simulation of a macro-MHD mode, a double tearing mode, is accomplished in a reversed shear equilibrium that includes zonal flow and turbulence due to kinetic ballooning modes. In the quasi-steady equilibrium, a macroscale fluctuation that has the same helicity as the double tearing mode is a part of the turbulence. After a certain period of time, the macro-MHD mode begins to grow. It effectively utilizes free energy of the equilibrium current density gradient and is destabilized by a positive feedback loop between zonal flow suppression and magnetic island growth. Thus, once the macro-MHD appears from the quasi-equilibrium, it continues to grow steadily. This simulation is more comparable with experimental observations of growing macro-MHD activity than earlier MHD simulations starting from linear macroinstabilities in a static equilibrium

  8. The Influence of Non-Equilibrium Excitation on the Electron Density in One-Dimensional MFD Channel Flow

    Energy Technology Data Exchange (ETDEWEB)

    Eichert, K.; Kaeppeler, H. J. [Institut fuer Plasmaforschung der Technischen Hochschule Stuttgart, Federal Republic of Germany (Germany)

    1966-10-15

    In previous publications, a system of equations was derived from the gas-kinetic description of a multi-component reacting plasma and employed for the calculation of one-dimensional subsonic flows. This system is now extended to include non-equilibrium excitation. No thermal or chemical equilibrium between the various components of the plasma is assumed. The components of the plasma considered are a non-reacting working fluid, an alkali metal vapour as a seeding material, ions of this seeding substance, and electrons. Three levels for the excited states are introduced. The reactions considered are excitation and ionization by electron collisions, and photo-ionization, as well as the corresponding reverse processes. For the reaction velocities, analytical equations are introduced permitting insertion of any excitation or ionization cross-sections of either experimental or theoretical origin. The method employed had been previously suggested by one of the authors. As examples, the degrees of excitation and ionization in the flow of a helium working fluid with 1% caesium seeding through a channel against transverse magnetic fields of 15 and 40 kg at Mach numbers of 0.7 and 0.8, respectively, were calculated. The results of the calculations show that for relatively small magnetic fields there is no rapid rise of the ionization to Saha-equilibrium as a function of electron temperature. A comparison with the results of a calculation neglecting excitation shows that especially for relatively large magnetic fields non-equilibrium excitation has an essential influence on the electron density and its approach to equilibrium. Neglecting excitation, there results a nearly frozen behaviour of the degree of ionization within channel lengths of technical interest for small magnetic fields. (author)

  9. 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

  10. Transition from equilibrium ignition to non-equilibrium burn for ICF capsules surrounded by a high-Z pusher

    International Nuclear Information System (INIS)

    Li, Ji W.; Chang, Lei; Li, Yun S.; Li, Jing H.

    2011-01-01

    For the ICF capsule surrounded by a high-Z pusher which traps the radiation and confines the hot fuel, the fuel will first be ignited in thermal equilibrium with radiation at a much lower temperature than hot-spot ignition, which is also the low temperature ignition. Because of the lower areal density for ICF capsules, the equilibrium ignition must be developed into a non-equilibrium burn to shorten the reaction time and lower the drive energy. In this paper, the transition from the equilibrium ignition to non-equilibrium burn is discussed and the energy deposited by α particles required for the equilibrium ignition and non-equilibrium burn to occur is estimated.

  11. Computation of Phase Equilibrium and Phase Envelopes

    DEFF Research Database (Denmark)

    Ritschel, Tobias Kasper Skovborg; Jørgensen, John Bagterp

    formulate the involved equations in terms of the fugacity coefficients. We present expressions for the first-order derivatives. Such derivatives are necessary in computationally efficient gradient-based methods for solving the vapor-liquid equilibrium equations and for computing phase envelopes. Finally, we......In this technical report, we describe the computation of phase equilibrium and phase envelopes based on expressions for the fugacity coefficients. We derive those expressions from the residual Gibbs energy. We consider 1) ideal gases and liquids modeled with correlations from the DIPPR database...... and 2) nonideal gases and liquids modeled with cubic equations of state. Next, we derive the equilibrium conditions for an isothermal-isobaric (constant temperature, constant pressure) vapor-liquid equilibrium process (PT flash), and we present a method for the computation of phase envelopes. We...

  12. Time-dependent two-temperature chemically non-equilibrium modelling of high-power Ar-N2 pulse-modulated inductively coupled plasmas at atmospheric pressure

    International Nuclear Information System (INIS)

    Tanaka, Yasunori

    2006-01-01

    A time-dependent, two-dimensional, two-temperature and chemical non-equilibrium model was developed for high-power Ar-N 2 pulse-modulated inductively coupled plasmas (PMICPs) at atmospheric pressure. The high-power PMICP is a new technique for sustaining high-power induction plasmas. It can control the plasma temperature and radical densities in the time domain. The PMICP promotes non-equilibrium effects by a sudden application of electric field, even in the high-power density plasmas. The developed model accounts separately for the time-dependent energy conservation equations of electrons and heavy particles. This model also considers reaction heat effects and energy transfer between electrons and heavy particles as well as enthalpy flow resulting from diffusion caused by the particle density gradient. Chemical non-equilibrium effects are also taken into account by solving time-dependent mass conservation equations for each particle, considering diffusion, convection and net production terms resulting from 30 chemical reactions. Transport and thermodynamic properties of Ar-N 2 plasmas are calculated self-consistently using the first order approximation of the Chapman-Enskog method at each position and iteration using the local particle composition, heavy particle temperature and electron temperature. This model is useful to discuss time evolution in temperature, gas flow fields and distribution of chemical species

  13. Effect of Equilibrium Current Profiles on External Kink Modes in Tokamaks

    International Nuclear Information System (INIS)

    Liu Chao; Liu Yue; Ma Zhaoshuai

    2014-01-01

    Based on a linearized MHD model, the effect of equilibrium current profiles on external kink modes in tokamaks is studied by MARS code. Three types of equilibrium current profiles are adopted in this work. Firstly, a set of parabolic equilibrium current profiles are chosen. In these profiles the maximum current values in the center of the plasma are fixed, and the currents have different gradient and jump at the plasma boundary. The effects of the current gradient and jump on the growth rate of external kink mode are investigated. It is found that the current jump which causes the q profiles to change plays an important role in the external kink modes in tokamaks. Secondly, a set of step equilibrium current profiles with different jump positions are chosen. The effect of jump position on external kink modes is discussed. Thirdly, a set of parabolic equilibrium current profiles with current bumps are chosen for the case of off-axis heating. The effects of height, width and position of the current bumps on external kink modes are analyzed. The flat equilibrium current profiles are disadvantageous for the MHD stabilities of tokamaks, because of the large current jump at the plasma edge. The peaked equilibrium current profiles and a large and localized current bump near the plasma edge benefit the MHD stabilities of tokamaks

  14. 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)

  15. 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....

  16. Steady equilibrium of a cylindrically symmetric plasma sustained by fueling

    International Nuclear Information System (INIS)

    Tomita, Yukihiro; Momota, Hiromu

    1993-01-01

    By introducing a novel and natural method to obtain a steady equilibrium, it is shown that a pressure gradient produced by the particle injection or resultant diamagnetic current can sustain only an equilibrium of a diffused linear pinch. For an extremely elongated FRC where magnetic field vanishes at a certain point, a seed current is needed to sustain configuration in a steady state equilibrium. A directed flow of fusion produced protons forms a seed current and consequently it sustains a steady FRC equilibrium by fueling only once D- 3 He burning takes place. Effects of anomalous transports on the sustainment are discussed. (author)

  17. 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

  18. Can elliptical galaxies be equilibrium systems

    Energy Technology Data Exchange (ETDEWEB)

    Caimmi, R [Padua Univ. (Italy). Ist. di Astronomia

    1980-08-01

    This paper deals with the question of whether elliptical galaxies can be considered as equilibrium systems (i.e., the gravitational + centrifugal potential is constant on the external surface). We find that equilibrium models such as Emden-Chandrasekhar polytropes and Roche polytropes with n = 0 can account for the main part of observations relative to the ratio of maximum rotational velocity to central velocity dispersion in elliptical systems. More complex models involving, for example, massive halos could lead to a more complete agreement. Models that are a good fit to the observed data are characterized by an inner component (where most of the mass is concentrated) and a low-density outer component. A comparison is performed between some theoretical density distributions and the density distribution observed by Young et al. (1978) in NGC 4473, but a number of limitations must be adopted. Alternative models, such as triaxial oblate non-equilibrium configurations with coaxial shells, involve a number of problems which are briefly discussed. We conclude that spheroidal oblate models describing elliptical galaxies cannot be ruled out until new analyses relative to more refined theoretical equilibrium models (involving, for example, massive halos) and more detailed observations are performed.

  19. 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.)

  20. Pre-equilibrium emission and nuclear level densities in neutron induced reactions on Fe, Cr and Ni isotopes

    International Nuclear Information System (INIS)

    Ivascu, M.; Avrigeanu, M.; Ivascu, I.; Avrigeanu, V.

    1989-01-01

    The experimentally well known (n,p), (n,α) and (n,2n) reaction excitation functions, from threshold to 20 MeV incident energy, and neutron, proton and alpha-particle emission spectra at 14.8 MeV from Fe, Cr and Ni isotopes are calculated in the frame of a generalized Geometry-Dependent-Hybrid pre-equilibrium emission model, including angular momentum and parity conservation and alpha-particle emission, and the Hauser-Feshbach statistical model. Use of a consistent statistical model parameter set enables the validation of the pre-equilibrium emission model. Moreover, an enhanced pre-equilibrium emission from higher spin composite system states, associated with higher incident orbital momenta, has been evidenced. Higher orbital momenta involved also in the emergent channels of this process are suggested by calculations of the residual nuclei level populations. Finally, the unitary account of the (n, p) and (n, 2n) reaction excitation functions for Fe, Cr and Ni isotopes has allowed the proper establishment of the limits of the transition excitation range between the two different nuclear level density models used at medium and higher excitation energies, respectively. (author). 83 refs, 15 figs

  1. Note: Local thermal conductivities from boundary driven non-equilibrium molecular dynamics simulations

    International Nuclear Information System (INIS)

    Bresme, F.; Armstrong, J.

    2014-01-01

    We report non-equilibrium molecular dynamics simulations of heat transport in models of molecular fluids. We show that the “local” thermal conductivities obtained from non-equilibrium molecular dynamics simulations agree within numerical accuracy with equilibrium Green-Kubo computations. Our results support the local equilibrium hypothesis for transport properties. We show how to use the local dependence of the thermal gradients to quantify the thermal conductivity of molecular fluids for a wide range of thermodynamic states using a single simulation

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics

    Science.gov (United States)

    Kretchmer, Joshua S.; Chan, Garnet Kin-Lic

    2018-02-01

    We introduce real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static DMET, real-time DMET partitions the system into an impurity corresponding to the region of interest coupled to the surrounding environment, which is efficiently represented by a quantum bath of the same size as the impurity. In this work, we focus on a simplified single-impurity time-dependent formulation as a first step toward a multi-impurity theory. The equations of motion of the coupled impurity and bath embedding problem are derived using the time-dependent variational principle. The accuracy of real-time DMET is compared to that of time-dependent complete active space self-consistent field (TD-CASSCF) theory and time-dependent Hartree-Fock (TDHF) theory for a variety of quantum quenches in the single impurity Anderson model (SIAM), in which the Hamiltonian is suddenly changed (quenched) to induce a non-equilibrium state. Real-time DMET shows a marked improvement over the mean-field TDHF, converging to the exact answer even in the non-trivial Kondo regime of the SIAM. However, as expected from analogous behavior in static DMET, the constrained structure of the real-time DMET wavefunction leads to a slower convergence with respect to active space size, in the single-impurity formulation, relative to TD-CASSCF. Our initial results suggest that real-time DMET provides a promising framework to simulate non-equilibrium electron dynamics in which strong electron correlation plays an important role, and lays the groundwork for future multi-impurity formulations.

  7. Using cavity theory to describe the dependence on detector density of dosimeter response in non-equilibrium small fields

    International Nuclear Information System (INIS)

    Fenwick, John D; Kumar, Sudhir; Scott, Alison J D; Nahum, Alan E

    2013-01-01

    The dose imparted by a small non-equilibrium photon radiation field to the sensitive volume of a detector located within a water phantom depends on the density of the sensitive volume. Here this effect is explained using cavity theory, and analysed using Monte Carlo data calculated for schematically modelled diamond and Pinpoint-type detectors. The combined impact of the density and atomic composition of the sensitive volume on its response is represented as a ratio, F w,det , of doses absorbed by equal volumes of unit density water and detector material co-located within a unit density water phantom. The impact of density alone is characterized through a similar ratio, P ρ− , of doses absorbed by equal volumes of unit and modified density water. The cavity theory is developed by splitting the dose absorbed by the sensitive volume into two components, imparted by electrons liberated in photon interactions occurring inside and outside the volume. Using this theory a simple model is obtained that links P ρ− to the degree of electronic equilibrium, s ee , at the centre of a field via a parameter I cav determined by the density and geometry of the sensitive volume. Following the scheme of Bouchard et al (2009 Med. Phys. 36 4654–63) F w,det can be written as the product of P ρ− , the water-to-detector stopping power ratio [L-bar Δ /ρ] ω det , and an additional factor P fl− . In small fields [L-bar Δ /ρ] ω det changes little with field-size; and for the schematic diamond and Pinpoint detectors P fl− takes values close to one. Consequently most of the field-size variation in F w,det originates from the P ρ− factor. Relative changes in s ee and in the phantom scatter factor s p are similar in small fields. For the diamond detector, the variation of P ρ− with s ee (and thus field-size) is described well by the simple cavity model using an I cav parameter in line with independent Monte Carlo estimates. The model also captures the overall field

  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. 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.

  10. The Temperature and Density from Permitted O II Lines in the Planetary Nebula NGC 7009

    Science.gov (United States)

    Richer, M. G., Guillén Tavera, J. E., Arrieta, A., Torres-Peimbert, S.

    2017-11-01

    We present spatially- and velocity-resolved spectroscopy of NGC 7009 acquired with the UVES spectrograph at the VLT UT2/Kueyen. We use these data to determine the electron temperature and density structure based upon O II lines. We find a strong gradient in the electron temperature. It agrees with the electron temperature determined from collisionally-excited lines in part of the nebular volume, but also differs by more than 6,000 K in other parts of the nebular volume. This result supports the hypothesis that NGC 7009 contains two plasma components, one of which emits collisionally-excited lines and the other that does not. We are able to determine only a lower limit to the electron density of 10^4 cm^{-3} from the O II lines, which is higher than derived from collisionally-excited lines. We are unable to determine whether the two plasma components are in pressure equilibrium from our data, but there exist temperature and density combinations that allow this equilibrium for temperatures between 600 K and 6,000 K.

  11. Statistical thermodynamics of equilibrium polymers at interfaces

    NARCIS (Netherlands)

    Gucht, van der J.; Besseling, N.A.M.

    2002-01-01

    The behavior of a solution of equilibrium polymers (or living polymers) at an interface is studied, using a Bethe-Guggenheim lattice model for molecules with orientation dependent interactions. The density profile of polymers and the chain length distribution are calculated. For equilibrium polymers

  12. Stochastic optimal control as non-equilibrium statistical mechanics: calculus of variations over density and current

    Science.gov (United States)

    Chernyak, Vladimir Y.; Chertkov, Michael; Bierkens, Joris; Kappen, Hilbert J.

    2014-01-01

    In stochastic optimal control (SOC) one minimizes the average cost-to-go, that consists of the cost-of-control (amount of efforts), cost-of-space (where one wants the system to be) and the target cost (where one wants the system to arrive), for a system participating in forced and controlled Langevin dynamics. We extend the SOC problem by introducing an additional cost-of-dynamics, characterized by a vector potential. We propose derivation of the generalized gauge-invariant Hamilton-Jacobi-Bellman equation as a variation over density and current, suggest hydrodynamic interpretation and discuss examples, e.g., ergodic control of a particle-within-a-circle, illustrating non-equilibrium space-time complexity.

  13. Non-equilibrium effects in the plasmas

    International Nuclear Information System (INIS)

    Einfeld, D.

    1975-01-01

    Radial dependences of non-equilibrium effects of a He plasma were studied in a wall-stabilized short-time discharge. The electron density (nsub(e) = 2.5 x 10 22 m -3 ), the electron temperature and the equilibrium shift were determined by calculations of the continuum beam density and the beam densities of one He-I and one He-II line, respectively. In the discharge axis, the overpopulation factors of the ground state of He-I and He-II are about 75. As the distance to the axis increases, they increase for He-I and decrease for He-II. Except for the usual errors of measurement, the overpopulation factors found here correspond to those calculated from the balance equations (Drawin). (orig./AK) [de

  14. 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.

  15. 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.

  16. 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)

  17. The critical role of logarithmic transformation in Nernstian equilibrium potential calculations.

    Science.gov (United States)

    Sawyer, Jemima E R; Hennebry, James E; Revill, Alexander; Brown, Angus M

    2017-06-01

    The membrane potential, arising from uneven distribution of ions across cell membranes containing selectively permeable ion channels, is of fundamental importance to cell signaling. The necessity of maintaining the membrane potential may be appreciated by expressing Ohm's law as current = voltage/resistance and recognizing that no current flows when voltage = 0, i.e., transmembrane voltage gradients, created by uneven transmembrane ion concentrations, are an absolute requirement for the generation of currents that precipitate the action and synaptic potentials that consume >80% of the brain's energy budget and underlie the electrical activity that defines brain function. The concept of the equilibrium potential is vital to understanding the origins of the membrane potential. The equilibrium potential defines a potential at which there is no net transmembrane ion flux, where the work created by the concentration gradient is balanced by the transmembrane voltage difference, and derives from a relationship describing the work done by the diffusion of ions down a concentration gradient. The Nernst equation predicts the equilibrium potential and, as such, is fundamental to understanding the interplay between transmembrane ion concentrations and equilibrium potentials. Logarithmic transformation of the ratio of internal and external ion concentrations lies at the heart of the Nernst equation, but most undergraduate neuroscience students have little understanding of the logarithmic function. To compound this, no current undergraduate neuroscience textbooks describe the effect of logarithmic transformation in appreciable detail, leaving the majority of students with little insight into how ion concentrations determine, or how ion perturbations alter, the membrane potential. Copyright © 2017 the American Physiological Society.

  18. Collapse and equilibrium of rotating, adiabatic clouds

    International Nuclear Information System (INIS)

    Boss, A.P.

    1980-01-01

    A numerical hydrodynamics computer code has been used to follow the collapse and establishment of equilibrium of adiabatic gas clouds restricted to axial symmetry. The clouds are initially uniform in density and rotation, with adiabatic exponents γ=5/3 and 7/5. The numerical technique allows, for the first time, a direct comparison to be made between the dynamic collapse and approach to equilibrium of unconstrained clouds on the one hand, and the results for incompressible, uniformly rotating equilibrium clouds, and the equilibrium structures of differentially rotating polytropes, on the other hand

  19. 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...

  20. Analytical energy gradients for explicitly correlated wave functions. I. Explicitly correlated second-order Møller-Plesset perturbation theory

    Science.gov (United States)

    Győrffy, Werner; Knizia, Gerald; Werner, Hans-Joachim

    2017-12-01

    We present the theory and algorithms for computing analytical energy gradients for explicitly correlated second-order Møller-Plesset perturbation theory (MP2-F12). The main difficulty in F12 gradient theory arises from the large number of two-electron integrals for which effective two-body density matrices and integral derivatives need to be calculated. For efficiency, the density fitting approximation is used for evaluating all two-electron integrals and their derivatives. The accuracies of various previously proposed MP2-F12 approximations [3C, 3C(HY1), 3*C(HY1), and 3*A] are demonstrated by computing equilibrium geometries for a set of molecules containing first- and second-row elements, using double-ζ to quintuple-ζ basis sets. Generally, the convergence of the bond lengths and angles with respect to the basis set size is strongly improved by the F12 treatment, and augmented triple-ζ basis sets are sufficient to closely approach the basis set limit. The results obtained with the different approximations differ only very slightly. This paper is the first step towards analytical gradients for coupled-cluster singles and doubles with perturbative treatment of triple excitations, which will be presented in the second part of this series.

  1. 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...

  2. 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

  3. External kink mode stability of tokamaks with finite edge current density in plasma outside separatrix

    International Nuclear Information System (INIS)

    Degtyarev, L.; Martynov, A.; Medvedev, S.; Troyon, F.; Villard, L.

    1996-01-01

    Large pressure gradients and current density at the plasma edge and accompanying edge-localized MHD instabilities are typical for H-mode discharges. Low-n external kink modes are a possible cause of the instabilities. The paper mostly deals with external kink modes driven by a finite current density at the plasma boundary (so called peeling modes). It was shown earlier that for a single axis plasma embedded into vacuum the peeling modes are stabilized when separatrix is approaching the plasma boundary. For doublet configurations a finite current density at the internal separatrix does not necessarily lead to external kink instability when the current density vanishes at the boundary. However, a finite current density at the plasma boundary outside the separatrix can drive outer peeling modes. The stability properties and structure of these modes depend on the plasma equilibrium outside the separatrix. The influence of plasma shear and pressure gradient at the boundary on the stability of the outer peeling modes in doublets is studied. The stability of kink modes in divertor configurations with plasma outside the separatrix is very sensitive to the boundary conditions set at open field lines. The choice of the boundary conditions and kink mode stability calculations for the divertor configurations are discussed. (author) 4 figs., 5 refs

  4. 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.

  5. The lagRST Model: A Turbulence Model for Non-Equilibrium Flows

    Science.gov (United States)

    Lillard, Randolph P.; Oliver, A. Brandon; Olsen, Michael E.; Blaisdell, Gregory A.; Lyrintzis, Anastasios S.

    2011-01-01

    This study presents a new class of turbulence model designed for wall bounded, high Reynolds number flows with separation. The model addresses deficiencies seen in the modeling of nonequilibrium turbulent flows. These flows generally have variable adverse pressure gradients which cause the turbulent quantities to react at a finite rate to changes in the mean flow quantities. This "lag" in the response of the turbulent quantities can t be modeled by most standard turbulence models, which are designed to model equilibrium turbulent boundary layers. The model presented uses a standard 2-equation model as the baseline for turbulent equilibrium calculations, but adds transport equations to account directly for non-equilibrium effects in the Reynolds Stress Tensor (RST) that are seen in large pressure gradients involving shock waves and separation. Comparisons are made to several standard turbulence modeling validation cases, including an incompressible boundary layer (both neutral and adverse pressure gradients), an incompressible mixing layer and a transonic bump flow. In addition, a hypersonic Shock Wave Turbulent Boundary Layer Interaction with separation is assessed along with a transonic capsule flow. Results show a substantial improvement over the baseline models for transonic separated flows. The results are mixed for the SWTBLI flows assessed. Separation predictions are not as good as the baseline models, but the over prediction of the peak heat flux downstream of the reattachment shock that plagues many models is reduced.

  6. Non local-thermodynamical-equilibrium effects in the simulation of laser-produced plasmas

    Science.gov (United States)

    Klapisch, M.; Bar-Shalom, A.; Oreg, J.; Colombant, D.

    1998-05-01

    Local thermodynamic equilibrium (LTE) breaks down in directly or indirectly driven laser plasmas because of sharp gradients, energy deposition, etc. For modeling non-LTE effects in hydrodynamical simulations, Busquet's model [Phys. Fluids B 5, 4191 (1993)] is very convenient and efficient. It uses off-line generated LTE opacities and equation of states via an effective, radiation-dependent ionization temperature Tz. An overview of the model is given. The results are compared with an elaborate collisional radiative model based on superconfigurations. The agreements for average charge Z* and opacities are surprisingly good, even more so when the plasma is immersed in a radiation field. Some remaining discrepancy at low density is attributed to dielectronic recombination. Improvement appears possible, especially for emissivities, because the concept of ionization temperature seems to be validated.

  7. Mean flow structure of non-equilibrium boundary layers with adverse ...

    Indian Academy of Sciences (India)

    According to them, an equilibrium boundary layer might exist if the pressure ... of adverse pressure gradient on the turbulent boundary layer at the flat plate for ..... of a constant-pressure turbulent layer to the sudden application of an sudden.

  8. Equilibrium and off-equilibrium trap-size scaling in one-dimensional ultracold bosonic gases

    International Nuclear Information System (INIS)

    Campostrini, Massimo; Vicari, Ettore

    2010-01-01

    We study some aspects of equilibrium and off-equilibrium quantum dynamics of dilute bosonic gases in the presence of a trapping potential. We consider systems with a fixed number of particles and study their scaling behavior with increasing the trap size. We focus on one-dimensional bosonic systems, such as gases described by the Lieb-Liniger model and its Tonks-Girardeau limit of impenetrable bosons, and gases constrained in optical lattices as described by the Bose-Hubbard model. We study their quantum (zero-temperature) behavior at equilibrium and off equilibrium during the unitary time evolution arising from changes of the trapping potential, which may be instantaneous or described by a power-law time dependence, starting from the equilibrium ground state for an initial trap size. Renormalization-group scaling arguments and analytical and numerical calculations show that the trap-size dependence of the equilibrium and off-equilibrium dynamics can be cast in the form of a trap-size scaling in the low-density regime, characterized by universal power laws of the trap size, in dilute gases with repulsive contact interactions and lattice systems described by the Bose-Hubbard model. The scaling functions corresponding to several physically interesting observables are computed. Our results are of experimental relevance for systems of cold atomic gases trapped by tunable confining potentials.

  9. Gyrokinetic Magnetohydrodynamics and the Associated Equilibrium

    Science.gov (United States)

    Lee, W. W.; Hudson, S. R.; Ma, C. H.

    2017-10-01

    A proposed scheme for the calculations of gyrokinetic MHD and its associated equilibrium is discussed related a recent paper on the subject. The scheme is based on the time-dependent gyrokinetic vorticity equation and parallel Ohm's law, as well as the associated gyrokinetic Ampere's law. This set of equations, in terms of the electrostatic potential, ϕ, and the vector potential, ϕ , supports both spatially varying perpendicular and parallel pressure gradients and their associated currents. The MHD equilibrium can be reached when ϕ -> 0 and A becomes constant in time, which, in turn, gives ∇ . (J|| +J⊥) = 0 and the associated magnetic islands. Examples in simple cylindrical geometry will be given. The present work is partially supported by US DoE Grant DE-AC02-09CH11466.

  10. Line radiative transfer and statistical equilibrium*

    Directory of Open Access Journals (Sweden)

    Kamp Inga

    2015-01-01

    Full Text Available Atomic and molecular line emission from protoplanetary disks contains key information of their detailed physical and chemical structures. To unravel those structures, we need to understand line radiative transfer in dusty media and the statistical equilibrium, especially of molecules. I describe here the basic principles of statistical equilibrium and illustrate them through the two-level atom. In a second part, the fundamentals of line radiative transfer are introduced along with the various broadening mechanisms. I explain general solution methods with their drawbacks and also specific difficulties encountered in solving the line radiative transfer equation in disks (e.g. velocity gradients. I am closing with a few special cases of line emission from disks: Radiative pumping, masers and resonance scattering.

  11. Blade bowing effects on radial equilibrium of inlet flow in axial compressor cascades

    Directory of Open Access Journals (Sweden)

    Han XU

    2017-10-01

    Full Text Available The circumferentially averaged equation of the inlet flow radial equilibrium in axial compressor was deduced. It indicates that the blade inlet radial pressure gradient is closely related to the radial component of the circumferential fluctuation (CF source item. Several simplified cascades with/without aerodynamic loading were numerically studied to investigate the effects of blade bowing on the inlet flow radial equilibrium. A data reduction program was conducted to obtain the CF source from three-dimensional (3D simulation results. Flow parameters at the passage inlet were focused on and each term in the radial equilibrium equation was discussed quantitatively. Results indicate that the inviscid blade force is the inducement of the inlet CF due to geometrical asymmetry. Blade bowing induces variation of the inlet CF, thus changes the radial pressure gradient and leads to flow migration before leading edge (LE in the cascades. Positive bowing drives the inlet flow to migrate from end walls to mid-span and negative bowing turns it to the reverse direction to build a new equilibrium. In addition, comparative studies indicate that the inlet Mach number and blade loading can efficiently impact the effectiveness of blade bowing on radial equilibrium in compressor design.

  12. 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.

  13. 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.)

  14. Acceleration of Convergence to Equilibrium in Markov Chains by Breaking Detailed Balance

    Science.gov (United States)

    Kaiser, Marcus; Jack, Robert L.; Zimmer, Johannes

    2017-07-01

    We analyse and interpret the effects of breaking detailed balance on the convergence to equilibrium of conservative interacting particle systems and their hydrodynamic scaling limits. For finite systems of interacting particles, we review existing results showing that irreversible processes converge faster to their steady state than reversible ones. We show how this behaviour appears in the hydrodynamic limit of such processes, as described by macroscopic fluctuation theory, and we provide a quantitative expression for the acceleration of convergence in this setting. We give a geometrical interpretation of this acceleration, in terms of currents that are antisymmetric under time-reversal and orthogonal to the free energy gradient, which act to drive the system away from states where (reversible) gradient-descent dynamics result in slow convergence to equilibrium.

  15. Local effect of equilibrium current on tearing mode stability

    International Nuclear Information System (INIS)

    Cozzani, F.

    1985-12-01

    The local effect of the equilibrium current on the linear stability of low poloidal number tearing modes in tokamaks is investigated analytically. The plasma response inside the tearing layer is derived from fluid theory and the local equilibrium current is shown to couple to the mode dynamics through its gradient, which is proportional to the local electron temperature gradient under the approximations used in the analysis. The relevant eigenmode equations, expressing Ampere's law and the plasma quasineutrality condition, respectively, are suitably combined in a single integral equation, from which a variational principle is formulated to derive the mode dispersion relations for several cases of interest. The local equilibrium current is treated as a small perturbation of the known results for the m greater than or equal to 2 and the m = 1 tearing modes in the collisional regime, and the m greater than or equal to 2 tearing mode in the semicollisional regime; its effect is found to enhance stabilization for the m greater than or equal to 2 drift-tearing mode in the collisional regime, whereas the m = 1 growth rate is very slightly increased and the stabilizing effect of the parallel thermal conduction on the m greater than or equal to 2 mode in the semicollisional regime is slightly reduced

  16. 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)

  17. 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

  18. The rigorous stochastic matrix multiplication scheme for the calculations of reduced equilibrium density matrices of open multilevel quantum systems

    International Nuclear Information System (INIS)

    Chen, Xin

    2014-01-01

    Understanding the roles of the temporary and spatial structures of quantum functional noise in open multilevel quantum molecular systems attracts a lot of theoretical interests. I want to establish a rigorous and general framework for functional quantum noises from the constructive and computational perspectives, i.e., how to generate the random trajectories to reproduce the kernel and path ordering of the influence functional with effective Monte Carlo methods for arbitrary spectral densities. This construction approach aims to unify the existing stochastic models to rigorously describe the temporary and spatial structure of Gaussian quantum noises. In this paper, I review the Euclidean imaginary time influence functional and propose the stochastic matrix multiplication scheme to calculate reduced equilibrium density matrices (REDM). In addition, I review and discuss the Feynman-Vernon influence functional according to the Gaussian quadratic integral, particularly its imaginary part which is critical to the rigorous description of the quantum detailed balance. As a result, I establish the conditions under which the influence functional can be interpreted as the average of exponential functional operator over real-valued Gaussian processes for open multilevel quantum systems. I also show the difference between the local and nonlocal phonons within this framework. With the stochastic matrix multiplication scheme, I compare the normalized REDM with the Boltzmann equilibrium distribution for open multilevel quantum systems

  19. Generalized lower-hybrid drift instabilities in current-sheet equilibrium

    International Nuclear Information System (INIS)

    Yoon, Peter H.; Lui, Anthony T. Y.; Sitnov, Mikhail I.

    2002-01-01

    A class of drift instabilities in one-dimensional current-sheet configuration, i.e., classical Harris equilibrium, with frequency ranging from low ion-cyclotron to intermediate lower-hybrid frequencies, are investigated with an emphasis placed on perturbations propagating along the direction of cross-field current flow. Nonlocal two-fluid stability analysis is carried out, and a class of unstable modes with multiple eigenstates, similar to that of the familiar quantum mechanical potential-well problem, are found by numerical means. It is found that the most unstable modes correspond to quasi-electrostatic, short-wavelength perturbations in the lower-hybrid frequency range, with wave functions localized at the edge of the current sheet where the density gradient is maximum. It is also found that there exist quasi-electromagnetic modes located near the center of the current sheet where the current density is maximum, with both kink- and sausage-type polarizations. These modes are low-frequency, long-wavelength perturbations. It turns out that the current-driven modes are low-order eigensolutions while the lower-hybrid-type modes are higher-order states, and there are intermediate solutions between the two extreme cases. Attempts are made to interpret the available simulation results in light of the present eigenmode analysis

  20. Equilibrium Propagation: Bridging the Gap between Energy-Based Models and Backpropagation

    Directory of Open Access Journals (Sweden)

    Benjamin Scellier

    2017-05-01

    Full Text Available We introduce Equilibrium Propagation, a learning framework for energy-based models. It involves only one kind of neural computation, performed in both the first phase (when the prediction is made and the second phase of training (after the target or prediction error is revealed. Although this algorithm computes the gradient of an objective function just like Backpropagation, it does not need a special computation or circuit for the second phase, where errors are implicitly propagated. Equilibrium Propagation shares similarities with Contrastive Hebbian Learning and Contrastive Divergence while solving the theoretical issues of both algorithms: our algorithm computes the gradient of a well-defined objective function. Because the objective function is defined in terms of local perturbations, the second phase of Equilibrium Propagation corresponds to only nudging the prediction (fixed point or stationary distribution toward a configuration that reduces prediction error. In the case of a recurrent multi-layer supervised network, the output units are slightly nudged toward their target in the second phase, and the perturbation introduced at the output layer propagates backward in the hidden layers. We show that the signal “back-propagated” during this second phase corresponds to the propagation of error derivatives and encodes the gradient of the objective function, when the synaptic update corresponds to a standard form of spike-timing dependent plasticity. This work makes it more plausible that a mechanism similar to Backpropagation could be implemented by brains, since leaky integrator neural computation performs both inference and error back-propagation in our model. The only local difference between the two phases is whether synaptic changes are allowed or not. We also show experimentally that multi-layer recurrently connected networks with 1, 2, and 3 hidden layers can be trained by Equilibrium Propagation on the permutation-invariant MNIST

  1. Non local-thermodynamical-equilibrium effects in the simulation of laser-produced plasmas

    International Nuclear Information System (INIS)

    Klapisch, M.; Bar-Shalom, A.; Oreg, J.; Colombant, D.

    1998-01-01

    Local thermodynamic equilibrium (LTE) breaks down in directly or indirectly driven laser plasmas because of sharp gradients, energy deposition, etc. For modeling non-LTE effects in hydrodynamical simulations, Busquet close-quote s model [Phys. Fluids B 5, 4191 (1993)] is very convenient and efficient. It uses off-line generated LTE opacities and equation of states via an effective, radiation-dependent ionization temperature T z . An overview of the model is given. The results are compared with an elaborate collisional radiative model based on superconfigurations. The agreements for average charge Z * and opacities are surprisingly good, even more so when the plasma is immersed in a radiation field. Some remaining discrepancy at low density is attributed to dielectronic recombination. Improvement appears possible, especially for emissivities, because the concept of ionization temperature seems to be validated. copyright 1998 American Institute of Physics

  2. 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.

  3. 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

  4. 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)

  5. 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.

  6. Strongly correlated quantum transport out-of-equilibrium

    Science.gov (United States)

    Dutt, Prasenjit

    The revolutionary advances in nanotechnology and nanofabrication have facilitated the precise control and manipulation of mesoscopic systems where quantum effects are pronounced. Quantum devices with tunable gates have made it possible to access regimes far beyond the purview of linear response theory. In particular, the influence of strong voltage and thermal biases has led to the observation of novel phenomena where the non-equilibrium characteristics of the system are of paramount importance. We study transport through quantum-impurity systems in the regime of strong correlations and determine the effects of large temperature and potential gradients on its many-body physics. In Part I of this thesis we focus on the steady-state dynamics of the system, a commonly encountered experimental scenario. For a system consisting of several leads composed of non-interacting electrons, each individually coupled to a quantum impurity with interactions and maintained at different chemical potentials, we reformulate the system in terms of an effective-equilibrium density matrix. This density matrix has a simple Boltzmann-like form in terms of the system's Lippmann-Schwinger (scattering) operators. We elaborate the conditions for this description to be valid based on the microscopic Hamiltonian of the system. We then prove the equivalence of physical observables computed using this formulation with corresponding expressions in the Schwinger-Keldysh approach and provide a dictionary between Green's functions in either scheme. An imaginary-time functional integral framework to compute finite temperature Green's functions is proposed and used to develop a novel perturbative expansion in the interaction strength which is exact in all other system parameters. We use these tools to study the fate of the Abrikosov-Suhl regime on the Kondo-correlated quantum dot due to the effects of bias and external magnetic fields. Next, we expand the domain of this formalism to additionally

  7. Simulations of NMR pulse sequences during equilibrium and non-equilibrium chemical exchange

    International Nuclear Information System (INIS)

    Helgstrand, Magnus; Haerd, Torleif; Allard, Peter

    2000-01-01

    The McConnell equations combine the differential equations for a simple two-state chemical exchange process with the Bloch differential equations for a classical description of the behavior of nuclear spins in a magnetic field. This equation system provides a useful starting point for the analysis of slow, intermediate and fast chemical exchange studied using a variety of NMR experiments. The McConnell equations are in the mathematical form of an inhomogeneous system of first-order differential equations. Here we rewrite the McConnell equations in a homogeneous form in order to facilitate fast and simple numerical calculation of the solution to the equation system. The McConnell equations can only treat equilibrium chemical exchange. We therefore also present a homogeneous equation system that can handle both equilibrium and non-equilibrium chemical processes correctly, as long as the kinetics is of first-order. Finally, the same method of rewriting the inhomogeneous form of the McConnell equations into a homogeneous form is applied to a quantum mechanical treatment of a spin system in chemical exchange. In order to illustrate the homogeneous McConnell equations, we have simulated pulse sequences useful for measuring exchange rates in slow, intermediate and fast chemical exchange processes. A stopped-flow NMR experiment was simulated using the equations for non-equilibrium chemical exchange. The quantum mechanical treatment was tested by the simulation of a sensitivity enhanced 15 N-HSQC with pulsed field gradients during slow chemical exchange and by the simulation of the transfer efficiency of a two-dimensional heteronuclear cross-polarization based experiment as a function of both chemical shift difference and exchange rate constants

  8. 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

  9. On solutions to equilibrium problems for systems of stiffened gases

    OpenAIRE

    Flåtten, Tore; Morin, Alexandre; Munkejord, Svend Tollak

    2011-01-01

    We consider an isolated system of N immiscible fluids, each following a stiffened-gas equation of state. We consider the problem of calculating equilibrium states from the conserved fluid-mechanical properties, i.e., the partial densities and internal energies. We consider two cases; in each case mechanical equilibrium is assumed, but the fluids may or may not be in thermal equilibrium. For both cases, we address the issues of existence, uniqueness, and physical validity of equilibrium soluti...

  10. Real time equilibrium reconstruction for tokamak discharge control

    International Nuclear Information System (INIS)

    Ferron, J.R.; Walker, M.L.; Lao, L.L.; St John, H.E.; Humphreys, D.A.; Leuer, J.A.

    1998-01-01

    A practical method for performing a tokamak equilibrium reconstruction in real time for arbitrary time varying discharge shapes and current profiles is described. An approximate solution to the Grad-Shafranov equilibrium relation is found which best fits the diagnostic measurements. Thus, a solution for the spatial distribution of poloidal flux and toroidal current density is available in real time that is consistent with plasma force balance, allowing accurate evaluation of parameters such as discharge shape and safety factor profile. The equilibrium solutions are produced at a rate sufficient for discharge control. This equilibrium reconstruction algorithm has been implemented on the digital plasma control system for the DIII-D tokamak. The first application of real time equilibrium reconstruction to discharge shape control is described. (author)

  11. Nonlocal linear theory of the gradient drift instability in the equatorial electrojet

    International Nuclear Information System (INIS)

    Ronchi, C.; Similon, P.L.; Sudan, R.N.

    1989-01-01

    The linear global eigenmodes of the gradient drift instability in the daytime equatorial electrojet are investigated. A main feature of the analysis is the inclusion of ion-neutral and electron-neutral collision frequencies dependent on altitude. It is found that the basic characteristics and localization of the unstable modes are determined mainly by the profiles of the Pedersen and Hall mobilities, which are derived from the Cowling conductivity model and experimental data. The equilibrium density profile is parabolic, which is fairly representative of the actual measurements. The unstable modes are sensitive not to the details of this profile, but only to the average value of the gradient. The results are obtained from a direct numerical integration of nonlocal linearized equations. They are further analyzed through an eikonal analysis, which provides both an interpretation of the transient modes observed by Fu et al. (1986) and some additional physics insight into the linear evolution of the global unstable modes. Finally, it is shown that the previously reported short-wavelength stabilization effect due to velocity shear may be overshadowed by the presence of regions in which the transient modes can develop into absolute instabilities. copyright American Geophysical Union 1989

  12. Equilibrium calculations, ch. 6

    International Nuclear Information System (INIS)

    Deursen, A.P.J. van

    1976-01-01

    A calculation is presented of dimer intensities obtained in supersonic expansions. There are two possible limiting considerations; the dimers observed are already present in the source, in thermodynamic equilibrium, and are accelerated in the expansion. Destruction during acceleration is neglected, as are processes leading to newly formed dimers. On the other hand one can apply a kinetic approach, where formation and destruction processes are followed throughout the expansion. The difficulty of this approach stems from the fact that the density, temperature and rate constants have to be known at all distances from the nozzle. The simple point of view has been adopted and the measured dimer intensities are compared with the equilibrium concentration in the source. The comparison is performed under the assumption that the detection efficiency for dimers is twice the detection efficiency for monomers. The experimental evidence against the simple point of view that the dimers of the onset region are formed in the source already, under equilibrium conditions, is discussed. (Auth.)

  13. 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.

  14. Equilibrium chemical reaction of supersonic hydrogen-air jets (the ALMA computer program)

    Science.gov (United States)

    Elghobashi, S.

    1977-01-01

    The ALMA (axi-symmetrical lateral momentum analyzer) program is concerned with the computation of two dimensional coaxial jets with large lateral pressure gradients. The jets may be free or confined, laminar or turbulent, reacting or non-reacting. Reaction chemistry is equilibrium.

  15. On local thermal equilibrium and potential gradient vs current characteristic in wall-stabilized argon plasma arc at 0.1 atm pressure

    International Nuclear Information System (INIS)

    Shindo, Haruo; Imazu, Shingo; Inaba, Tsuginori.

    1979-01-01

    In wall-stabilized arc which is a very useful means for determining the transport characteristics of high temperature gases, it is the premise that the inside of arc column is in complete local thermal equilibrium (LTE). In general, the higher the gas pressure, the easier the establishment of LTE, accordingly the experimental investigations on the characteristics of arc discharge as well as the transport characteristics so far were limited to the region of relatively high pressure. However, the authors have found that the theoretical potential vs. current characteristic obtained by the transport characteristic was greatly different from the actually measured one in low pressure region, as the fundamental characteristic of wall-stabilized argon plasma arc below atmospheric pressure. This time, they have clarified this discrepancy at 0.1 atm using the plasma parameters obtained through the spectroscopic measurements. The spectroscopic measurements have been performed through the side observation window at the position 5.5 cm away from the cathode, when arc was ignited vertically at the electrodes distant by 11 cm. Arc radius was 0.5 cm. Electron density and temperature, gas temperature and the excitation density of argon neutral atoms have been experimentally measured. The investigations showed that, in the region of low arc current, where the ratio of current to arc radius is less than 200 A/cm, the fall of gas temperature affected greatly on the decrease of axial electric field of arc column. The non-equilibrium between electron temperature and gas temperature decreased with the increase of arc current, and it was concluded that LTE has been formed at the center portion of arc column above I/R = 300 A/cm. (Wakatsuki, Y.)

  16. Spectral non-equilibrium property in homogeneous isotropic turbulence and its implication in subgrid-scale modeling

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Le [Laboratory of Mathematics and Physics, Ecole Centrale de Pékin, Beihang University, Beijing 100191 (China); Zhu, Ying [Laboratory of Mathematics and Physics, Ecole Centrale de Pékin, Beihang University, Beijing 100191 (China); National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Liu, Yangwei, E-mail: liuyangwei@126.com [National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Lu, Lipeng [National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China)

    2015-10-09

    The non-equilibrium property in turbulence is a non-negligible problem in large-eddy simulation but has not yet been systematically considered. The generalization from equilibrium turbulence to non-equilibrium turbulence requires a clear recognition of the non-equilibrium property. As a preliminary step of this recognition, the present letter defines a typical non-equilibrium process, that is, the spectral non-equilibrium process, in homogeneous isotropic turbulence. It is then theoretically investigated by employing the skewness of grid-scale velocity gradient, which permits the decomposition of resolved velocity field into an equilibrium one and a time-reversed one. Based on this decomposition, an improved Smagorinsky model is proposed to correct the non-equilibrium behavior of the traditional Smagorinsky model. The present study is expected to shed light on the future studies of more generalized non-equilibrium turbulent flows. - Highlights: • A spectral non-equilibrium process in isotropic turbulence is defined theoretically. • A decomposition method is proposed to divide a non-equilibrium turbulence field. • An improved Smagorinsky model is proposed to correct the non-equilibrium behavior.

  17. Gradient Dynamics and Entropy Production Maximization

    Science.gov (United States)

    Janečka, Adam; Pavelka, Michal

    2018-01-01

    We compare two methods for modeling dissipative processes, namely gradient dynamics and entropy production maximization. Both methods require similar physical inputs-how energy (or entropy) is stored and how it is dissipated. Gradient dynamics describes irreversible evolution by means of dissipation potential and entropy, it automatically satisfies Onsager reciprocal relations as well as their nonlinear generalization (Maxwell-Onsager relations), and it has statistical interpretation. Entropy production maximization is based on knowledge of free energy (or another thermodynamic potential) and entropy production. It also leads to the linear Onsager reciprocal relations and it has proven successful in thermodynamics of complex materials. Both methods are thermodynamically sound as they ensure approach to equilibrium, and we compare them and discuss their advantages and shortcomings. In particular, conditions under which the two approaches coincide and are capable of providing the same constitutive relations are identified. Besides, a commonly used but not often mentioned step in the entropy production maximization is pinpointed and the condition of incompressibility is incorporated into gradient dynamics.

  18. Slope-velocity equilibrium and evolution of surface roughness on a stony hillslope

    Science.gov (United States)

    Nearing, Mark A.; Polyakov, Viktor O.; Nichols, Mary H.; Hernandez, Mariano; Li, Li; Zhao, Ying; Armendariz, Gerardo

    2017-06-01

    Slope-velocity equilibrium is hypothesized as a state that evolves naturally over time due to the interaction between overland flow and surface morphology, wherein steeper areas develop a relative increase in physical and hydraulic roughness such that flow velocity is a unique function of overland flow rate independent of slope gradient. This study tests this hypothesis under controlled conditions. Artificial rainfall was applied to 2 m by 6 m plots at 5, 12, and 20 % slope gradients. A series of simulations were made with two replications for each treatment with measurements of runoff rate, velocity, rock cover, and surface roughness. Velocities measured at the end of each experiment were a unique function of discharge rates, independent of slope gradient or rainfall intensity. Physical surface roughness was greater at steeper slopes. The data clearly showed that there was no unique hydraulic coefficient for a given slope, surface condition, or rainfall rate, with hydraulic roughness greater at steeper slopes and lower intensities. This study supports the hypothesis of slope-velocity equilibrium, implying that use of hydraulic equations, such as Chezy and Manning, in hillslope-scale runoff models is problematic because the coefficients vary with both slope and rainfall intensity.

  19. Post-CHF heat transfer: a non-equilibrium, relaxation model

    International Nuclear Information System (INIS)

    Jones, O.C. Jr.; Zuber, N.

    1977-01-01

    Existing phenomenological models of heat transfer in the non-equilibrium, liquid-deficient, dispersed flow regime can sometimes predict the thermal behavior fairly well but are quite complex, requiring coupled simultaneous differential equations to describe the axial gradients of mass and energy along with those of droplet acceleration and size. In addition, empirical relations are required to express the droplet breakup and increased effective heat transfer due to holdup. This report describes the development of a different approach to the problem. It is shown that the non-equilibrium component of the total energy can be expressed as a first order, inhomogeneous relaxation equation in terms of one variable coefficient termed the Superheat Relaxation number. A demonstration is provided to show that this relaxation number can be correlated using local variables in such a manner to allow the single non-equilibrium equation to accurately calculate the effects of mass velocity and heat flux along with tube length, diameter, and critical quality for equilibrium qualities from 0.13 to over 3.0

  20. Cosmic curvature from de Sitter equilibrium cosmology.

    Science.gov (United States)

    Albrecht, Andreas

    2011-10-07

    I show that the de Sitter equilibrium cosmology generically predicts observable levels of curvature in the Universe today. The predicted value of the curvature, Ω(k), depends only on the ratio of the density of nonrelativistic matter to cosmological constant density ρ(m)(0)/ρ(Λ) and the value of the curvature from the initial bubble that starts the inflation, Ω(k)(B). The result is independent of the scale of inflation, the shape of the potential during inflation, and many other details of the cosmology. Future cosmological measurements of ρ(m)(0)/ρ(Λ) and Ω(k) will open up a window on the very beginning of our Universe and offer an opportunity to support or falsify the de Sitter equilibrium cosmology.

  1. Pre-equilibrium assumptions and statistical model parameters effects on reaction cross-section calculations

    International Nuclear Information System (INIS)

    Avrigeanu, M.; Avrigeanu, V.

    1992-02-01

    A systematic study on effects of statistical model parameters and semi-classical pre-equilibrium emission models has been carried out for the (n,p) reactions on the 56 Fe and 60 Co target nuclei. The results obtained by using various assumptions within a given pre-equilibrium emission model differ among them more than the ones of different models used under similar conditions. The necessity of using realistic level density formulas is emphasized especially in connection with pre-equilibrium emission models (i.e. with the exciton state density expression), while a basic support could be found only by replacement of the Williams exciton state density formula with a realistic one. (author). 46 refs, 12 figs, 3 tabs

  2. Theory of Quasi-Equilibrium Nucleosynthesis and Applications to Matter Expanding from High Temperature and Density

    Science.gov (United States)

    Meyer, Bradley S.; Krishnan, Tracy D.; Clayton, Donald D.

    1998-05-01

    Our first purpose is construction of a formal theory of quasi-equilibrium. We define quasi-equilibrium, in its simplest form, as statistical equilibrium in the face of an extra constraint on the nuclear populations. We show that the extra constraint introduces a uniform translation of the chemical potentials for the heavy nuclei and derive the abundances in terms of it. We then generalize this theory to accommodate any number of constraints. For nucleosynthesis, the most important constraint occurs when the total number of heavy nuclei Yh within a system of nuclei differs from the number that would exist in nuclear statistical equilibrium (NSE) under the same conditions of density and temperature. Three situations of high relevance are (1) silicon burning, wherein the total number of nuclei exceeds but asymptotically approaches the NSE number; (2) alpha-rich freezeout expansions of high entropy, wherein Yh is less than the NSE number; and (3) expansions from high temperature of low-entropy matter, in which Yh exceeds the NSE number. These are of importance, respectively, within (1) supernova shells, (2) Type II supernova cores modestly outside the mass cut, and (3) Type Ia supernova cores in near-Chandrasekhar-mass events. Our next goal is the detailed analysis of situation (2), the high-entropy alpha-rich neutron-rich freezeout. We employ a nuclear reaction network, which we integrate, to compare the actual abundances with those obtained at the same thermal conditions by the quasi-equilibrium (QSE) theory and by the NSE theory. For this detailed comparison, we choose a high-entropy photon-to-nucleon ratio φ = 6.8, for which we conduct expansions at initial bulk neutron excess η0 = 0.10. We demonstrate that the abundance populations, as they begin expansion and cooling from temperature 10 × 109 K, are characterized by three distinct phases: (1) NSE, (2) QSE having Yh smaller than the NSE value, and (3) final reaction rate-dependent freezeout modifications of the

  3. 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.

  4. 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.

  5. 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

  6. A new characterization method of the microstructure by utilizing the macroscopic composition gradient in alloys

    International Nuclear Information System (INIS)

    Miyazaki, T.; Koyama, T.; Kobayashi, S.

    1996-01-01

    A new experimental method to determine the phase boundary and phase equilibrium is accomplished by - means of analytical transmission electron microscopy for alloys with a macroscopic composition gradient. The various phase boundaries, i.e. the coherent binodal and spinodal lines, incoherent binodal line and order/disorder transformation line are distinctly determined for the Cu-Ti alloy and the other alloy systems. Furthermore, the equilibrium compositions at the interface of precipitate/matrix can experimentally be obtained for various particle sizes, and thus the Gibbs-Thomson's relation is verified. It is expected that the composition gradient method proposed in the present will become an important experimental method of the microstructural characterization

  7. Computing diffusivities from particle models out of equilibrium

    Science.gov (United States)

    Embacher, Peter; Dirr, Nicolas; Zimmer, Johannes; Reina, Celia

    2018-04-01

    A new method is proposed to numerically extract the diffusivity of a (typically nonlinear) diffusion equation from underlying stochastic particle systems. The proposed strategy requires the system to be in local equilibrium and have Gaussian fluctuations but it is otherwise allowed to undergo arbitrary out-of-equilibrium evolutions. This could be potentially relevant for particle data obtained from experimental applications. The key idea underlying the method is that finite, yet large, particle systems formally obey stochastic partial differential equations of gradient flow type satisfying a fluctuation-dissipation relation. The strategy is here applied to three classic particle models, namely independent random walkers, a zero-range process and a symmetric simple exclusion process in one space dimension, to allow the comparison with analytic solutions.

  8. 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.

  9. MHD equilibrium of heliotron J plasmas

    International Nuclear Information System (INIS)

    Suzuki, Yasuhiro; Nakamura, Yuji; Kondo, Katsumi; Nakajima, Noriyoshi; Hayashi, Takaya

    2004-01-01

    MHD equilibria of Heliotron J plasma are investigated by using HINT code. By assuming some profiles of the current density, effects of the net toroidal currents on the magnetohydrodynamics (MHD) equilibrium are investigated. If the rotational transform can be controlled by the currents, the generation of good flux surfaces is expected. In order to study equilibria with self-consistent bootstrap current, the boozer coordinates are constructed by converged HINT equilibrium as a preliminary study. Obtained spectra are compared with ones of VMEC code and both results are consistent. (author)

  10. 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.

  11. Silicon Burning. II. Quasi-Equilibrium and Explosive Burning

    International Nuclear Information System (INIS)

    Hix, W.R.; Thielemann, F.

    1999-01-01

    Having examined the application of quasi-equilibrium to hydrostatic silicon burning in Paper I of this series, we now turn our attention to explosive silicon burning. Previous authors have shown that for material that is heated to high temperature by a passing shock and then cooled by adiabatic expansion, the results can be divided into three broad categories, incomplete burning, normal freezeout, and α-rich freezeout, with the outcome depending on the temperature, density, and cooling timescale. In all three cases, we find that the important abundances obey quasi-equilibrium for temperatures greater than approximately 3x10 9 K, with relatively little nucleosynthesis occurring following the breakdown of quasi-equilibrium. We will show that quasi-equilibrium provides better abundance estimates than global nuclear statistical equilibrium, even for normal freezeout, and particularly for α-rich freezeout. We will also examine the accuracy with which the final nuclear abundances can be estimated from quasi-equilibrium. copyright copyright 1999. The American Astronomical Society

  12. Characterizing developing adverse pressure gradient flows subject to surface roughness

    Science.gov (United States)

    Brzek, Brian; Chao, Donald; Turan, Özden; Castillo, Luciano

    2010-04-01

    An experimental study was conducted to examine the effects of surface roughness and adverse pressure gradient (APG) on the development of a turbulent boundary layer. Hot-wire anemometry measurements were carried out using single and X-wire probes in all regions of a developing APG flow in an open return wind tunnel test section. The same experimental conditions (i.e., T ∞, U ref, and C p) were maintained for smooth, k + = 0, and rough, k + = 41-60, surfaces with Reynolds number based on momentum thickness, 3,000 carefully designed such that the x-dependence in the flow field was known. Despite this fact, only a very small region of the boundary layer showed a balance of the various terms in the integrated boundary layer equation. The skin friction computed from this technique showed up to a 58% increase due to the surface roughness. Various equilibrium parameters were studied and the effect of roughness was investigated. The generated flow was not in equilibrium according to the Clauser (J Aero Sci 21:91-108, 1954) definition due to its developing nature. After a development region, the flow reached the equilibrium condition as defined by Castillo and George (2001), where Λ = const, is the pressure gradient parameter. Moreover, it was found that this equilibrium condition can be used to classify developing APG flows. Furthermore, the Zagarola and Smits (J Fluid Mech 373:33-79, 1998a) scaling of the mean velocity deficit, U ∞δ*/δ, can also be used as a criteria to classify developing APG flows which supports the equilibrium condition of Castillo and George (2001). With this information a ‘full APG region’ was defined.

  13. Mapping Isobaric Aging onto the Equilibrium Phase Diagram

    DEFF Research Database (Denmark)

    Niss, Kristine

    2017-01-01

    The linear volume relaxation and the nonlinear volume aging of a glass-forming liquid are measured, directly compared, and used to extract the out-of-equilibrium relaxation time. This opens a window to investigate how the relaxation time depends on temperature, structure, and volume in parts...... of phase space that are not accessed by the equilibrium liquid. It is found that the temperature dependence of relaxation time is non-Arrhenius even in the isostructural case—challenging the Adam-Gibbs entropy model. Based on the presented data and the idea that aging happens through quasiequilibrium...... states, we suggest a mapping of the out-of-equilibrium states during isobaric aging to the equilibrium phase diagram. This mapping implies the existence of isostructural lines in the equilibrium phase diagram. The relaxation time is found to depend on the bath temperature, density, and a just single...

  14. Fluids density functional theory and initializing molecular dynamics simulations of block copolymers

    Science.gov (United States)

    Brown, Jonathan R.; Seo, Youngmi; Maula, Tiara Ann D.; Hall, Lisa M.

    2016-03-01

    Classical, fluids density functional theory (fDFT), which can predict the equilibrium density profiles of polymeric systems, and coarse-grained molecular dynamics (MD) simulations, which are often used to show both structure and dynamics of soft materials, can be implemented using very similar bead-based polymer models. We aim to use fDFT and MD in tandem to examine the same system from these two points of view and take advantage of the different features of each methodology. Additionally, the density profiles resulting from fDFT calculations can be used to initialize the MD simulations in a close to equilibrated structure, speeding up the simulations. Here, we show how this method can be applied to study microphase separated states of both typical diblock and tapered diblock copolymers in which there is a region with a gradient in composition placed between the pure blocks. Both methods, applied at constant pressure, predict a decrease in total density as segregation strength or the length of the tapered region is increased. The predictions for the density profiles from fDFT and MD are similar across materials with a wide range of interfacial widths.

  15. 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.

  16. 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.

  17. 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.

  18. Instability of quantum equilibrium in Bohm's dynamics.

    Science.gov (United States)

    Colin, Samuel; Valentini, Antony

    2014-11-08

    We consider Bohm's second-order dynamics for arbitrary initial conditions in phase space. In principle, Bohm's dynamics allows for 'extended' non-equilibrium, with initial momenta not equal to the gradient of phase of the wave function (as well as initial positions whose distribution departs from the Born rule). We show that extended non-equilibrium does not relax in general and is in fact unstable. This is in sharp contrast with de Broglie's first-order dynamics, for which non-standard momenta are not allowed and which shows an efficient relaxation to the Born rule for positions. On this basis, we argue that, while de Broglie's dynamics is a tenable physical theory, Bohm's dynamics is not. In a world governed by Bohm's dynamics, there would be no reason to expect to see an effective quantum theory today (even approximately), in contradiction with observation.

  19. Adiabatic out-of-equilibrium solutions to the Boltzmann equation in warm inflation

    Science.gov (United States)

    Bastero-Gil, Mar; Berera, Arjun; Ramos, Rudnei O.; Rosa, João G.

    2018-02-01

    We show that, in warm inflation, the nearly constant Hubble rate and temperature lead to an adiabatic evolution of the number density of particles interacting with the thermal bath, even if thermal equilibrium cannot be maintained. In this case, the number density is suppressed compared to the equilibrium value but the associated phase-space distribution retains approximately an equilibrium form, with a smaller amplitude and a slightly smaller effective temperature. As an application, we explicitly construct a baryogenesis mechanism during warm inflation based on the out-of-equilibrium decay of particles in such an adiabatically evolving state. We show that this generically leads to small baryon isocurvature perturbations, within the bounds set by the Planck satellite. These are correlated with the main adiabatic curvature perturbations but exhibit a distinct spectral index, which may constitute a smoking gun for baryogenesis during warm inflation. Finally, we discuss the prospects for other applications of adiabatically evolving out-of-equilibrium states.

  20. 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.

  1. Kinetic equations within the formalism of non-equilibrium thermo field dynamics

    International Nuclear Information System (INIS)

    Arimitsu, Toshihico

    1988-01-01

    After reviewing the real-time formalism of dissipative quantum field theory, i.e. non-equilibrium thermo field dynamics (NETFD), a kinetic equation, a self-consistent equation for the dissipation coefficient and a ''mass'' or ''chemical potential'' renormalization equation for non-equilibrium transient situations are extracted out of the two-point Green's function of the Heisenberg field, in their most general forms upon the basic requirements of NETFD. The formulation is applied to the electron-phonon system, as an example, where the gradient expansion and the quasi-particle approximation are performed. The formalism of NETFD is reinvestigated in connection with the kinetic equations. (orig.)

  2. 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.

  3. Mapping Isobaric Aging onto the Equilibrium Phase Diagram.

    Science.gov (United States)

    Niss, Kristine

    2017-09-15

    The linear volume relaxation and the nonlinear volume aging of a glass-forming liquid are measured, directly compared, and used to extract the out-of-equilibrium relaxation time. This opens a window to investigate how the relaxation time depends on temperature, structure, and volume in parts of phase space that are not accessed by the equilibrium liquid. It is found that the temperature dependence of relaxation time is non-Arrhenius even in the isostructural case-challenging the Adam-Gibbs entropy model. Based on the presented data and the idea that aging happens through quasiequilibrium states, we suggest a mapping of the out-of-equilibrium states during isobaric aging to the equilibrium phase diagram. This mapping implies the existence of isostructural lines in the equilibrium phase diagram. The relaxation time is found to depend on the bath temperature, density, and a just single structural parameter, referred to as an effective temperature.

  4. Enviromental Effects on Internal Color Gradients of Early-Type Galaxies

    Science.gov (United States)

    La Barbera, F.; de Carvalho, R. R.; Gal, R. R.; Busarello, G.; Haines, C. P.; Mercurio, A.; Merluzzi, P.; Capaccioli, M.; Djorgovski, S. G.

    2007-05-01

    One of the most debated issues of observational and theoretical cosmology is that of how the environment affects the formation and evolution of galaxies. To gain new insight into this subject, we have derived surface photometry for a sample of 3,000 early-type galaxies belonging to 163 clusters with different richness, spanning a redshift range of 0.05 to 0.25. This large data-set is used to analyze how the color distribution inside galaxies depends on several parameters, such as cluster richness, local galaxy density, galaxy luminosity and redshift. We find that the internal color profile of galaxies strongly depends on the environment where galaxies reside. Galaxies in poor and rich clusters are found to follow two distinct trends in the color gradient vs. redshift diagram, with color gradients beeing less steep in rich rather than in poor clusters. No dependence of color gradients on galaxy luminosity is detected both for poor and rich clusters. We find that color gradients strongly depend on local galaxy density, with more shallow gradients in high density regions. Interestingly, this result holds only for low richness clusters, with color gradients of galaxies in rich clusters showing no dependence on local galaxy density. Our results support a reasonable picture whereby young early-type galaxies form in a dissipative collapse process, and then undergo increased (either major or minor) merging activity in richer rather than in poor clusters.

  5. Intermittent Fermi-Pasta-Ulam Dynamics at Equilibrium

    Science.gov (United States)

    Campbell, David; Danieli, Carlo; Flach, Sergej

    The equilibrium value of an observable defines a manifold in the phase space of an ergodic and equipartitioned many-body syste. A typical trajectory pierces that manifold infinitely often as time goes to infinity. We use these piercings to measure both the relaxation time of the lowest frequency eigenmode of the Fermi-Pasta-Ulam chain, as well as the fluctuations of the subsequent dynamics in equilibrium. We show that previously obtained scaling laws for equipartition times are modified at low energy density due to an unexpected slowing down of the relaxation. The dynamics in equilibrium is characterized by a power-law distribution of excursion times far off equilibrium, with diverging variance. The long excursions arise from sticky dynamics close to regular orbits in the phase space. Our method is generalizable to large classes of many-body systems. The authors acknowledge financial support from IBS (Project Code IBS-R024-D1).

  6. Foundations of atmospheric pressure non-equilibrium plasmas

    Science.gov (United States)

    Bruggeman, Peter J.; Iza, Felipe; Brandenburg, Ronny

    2017-12-01

    Non-equilibrium plasmas have been intensively studied over the past century in the context of material processing, environmental remediation, ozone generation, excimer lamps and plasma display panels. Research on atmospheric pressure non-equilibrium plasmas intensified over the last two decades leading to a large variety of plasma sources that have been developed for an extended application range including chemical conversion, medicine, chemical analysis and disinfection. The fundamental understanding of these discharges is emerging but there remain a lot of unexplained phenomena in these intrinsically complex plasmas. The properties of non-equilibrium plasmas at atmospheric pressure span over a huge range of electron densities as well as heavy particle and electron temperatures. This paper provides an overview of the key underlying processes that are important for the generation and stabilization of atmospheric pressure non-equilibrium plasmas. The unique physical and chemical properties of theses discharges are also summarized.

  7. MAGNETIC RECONNECTION IN NON-EQUILIBRIUM IONIZATION PLASMA

    International Nuclear Information System (INIS)

    Imada, S.; Shimizu, T.; Murakami, I.; Watanabe, T.; Hara, H.

    2011-01-01

    We have studied the effect of time-dependent ionization and the recombination processes on magnetic reconnection in the solar corona. Petschek-type steady reconnection, in which the magnetic energy is mainly converted at the slow-mode shocks, was assumed. We carried out the time-dependent ionization calculation in the magnetic reconnection structure. We only calculated the transient ionization of iron; the other species were assumed to be in ionization equilibrium. The intensity of line emissions at specific wavelengths was also calculated for comparison with Hinode or other observations in future. We found the following: (1) iron is mostly in non-equilibrium ionization in the reconnection region; (2) the intensity of line emission estimated by the time-dependent ionization calculation is significantly different from that determined from the ionization equilibrium assumption; (3) the effect of time-dependent ionization is sensitive to the electron density in the case where the electron density is less than 10 10 cm –3 ; (4) the effect of thermal conduction lessens the time-dependent ionization effect; and (5) the effect of radiative cooling is negligibly small even if we take into account time-dependent ionization.

  8. Modeling of the equilibrium of a tokamak plasma

    International Nuclear Information System (INIS)

    Grandgirard, V.

    1999-12-01

    The simulation and the control of a plasma discharge in a tokamak require an efficient and accurate solving of the equilibrium because this equilibrium needs to be calculated again every microsecond to simulate discharges that can last up to 1000 seconds. The purpose of this thesis is to propose numerical methods in order to calculate these equilibrium with acceptable computer time and memory size. Chapter 1 deals with hydrodynamics equation and sets up the problem. Chapter 2 gives a method to take into account the boundary conditions. Chapter 3 is dedicated to the optimization of the inversion of the system matrix. This matrix being quasi-symmetric, the Woodbury method combined with Cholesky method has been used. This direct method has been compared with 2 iterative methods: GMRES (generalized minimal residual) and BCG (bi-conjugate gradient). The 2 last chapters study the control of the plasma equilibrium, this work is presented in the formalism of the optimized control of distributed systems and leads to non-linear equations of state and quadratic functionals that are solved numerically by a quadratic sequential method. This method is based on the replacement of the initial problem with a series of control problems involving linear equations of state. (A.C.)

  9. 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.

  10. Applicability of Donnan equilibrium theory at nanochannel-reservoir interfaces.

    Science.gov (United States)

    Tian, Huanhuan; Zhang, Li; Wang, Moran

    2015-08-15

    Understanding ionic transport in nanochannels has attracted broad attention from various areas in energy and environmental fields. In most pervious research, Donnan equilibrium has been applied widely to nanofluidic systems to obtain ionic concentration and electrical potential at channel-reservoir interfaces; however, as well known that Donnan equilibrium is derived from classical thermodynamic theories with equilibrium assumptions. Therefore the applicability of the Donnan equilibrium may be questionable when the transport at nanochannel-reservoir interface is strongly non-equilibrium. In this work, the Poisson-Nernst-Planck model for ion transport is numerically solved to obtain the exact distributions of ionic concentration and electrical potential. The numerical results are quantitatively compared with the Donnan equilibrium predictions. The applicability of Donnan equilibrium is therefore justified by changing channel length, reservoir ionic concentration, surface charge density and channel height. The results indicate that the Donnan equilibrium is not applicable for short nanochannels, large concentration difference and wide openings. A non-dimensional parameter, Q factor, is proposed to measure the non-equilibrium extent and the relation between Q and the working conditions is studied in detail. Copyright © 2015 Elsevier Inc. All rights reserved.

  11. Research on the quantum multistep theory for pre-equilibrium nuclear reaction

    CERN Document Server

    Su Zong Di; Abdurixit, A; Wang Shu Nuan; Li Bao Xian; Huang Zhong; Liu Jian Feng; Zhang Benai; Zhu Yao Yin; Li Zhi Wen

    2002-01-01

    The Feshbach-Kerman-Koonin (FKK) quantum multistep theory of the pre-equilibrium reaction is further improved and perfected. A unified description for the multistep compound (MSC) process of the pre-equilibrium reaction and the compound nucleus (CN) process of full equilibrium reaction can be presented. This formula can integrate MSC and CN theories with the optical model and Hauser-Feshbach formula, and can get self-consistent expression. In multistep direct (MSD) process of the pre-equilibrium reaction, the mu-step cross section can be expressed by the convolution of mu one-step cross section. And the one step cross section for continuum can be written as the product of an averaged DWBA matrix element and the state density. For calculating the multistep direct reaction cross section, two methods, the state densities and full microscopic model, are used and compared. Some typical experiments are analyzed by using the work mentioned above. The calculated results are reasonable and in good agreement with the e...

  12. 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.

  13. 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...

  14. Bose-Einstein Condensation of Long-Lifetime Polaritons in Thermal Equilibrium.

    Science.gov (United States)

    Sun, Yongbao; Wen, Patrick; Yoon, Yoseob; Liu, Gangqiang; Steger, Mark; Pfeiffer, Loren N; West, Ken; Snoke, David W; Nelson, Keith A

    2017-01-06

    The experimental realization of Bose-Einstein condensation (BEC) with atoms and quasiparticles has triggered wide exploration of macroscopic quantum effects. Microcavity polaritons are of particular interest because quantum phenomena such as BEC and superfluidity can be observed at elevated temperatures. However, polariton lifetimes are typically too short to permit thermal equilibration. This has led to debate about whether polariton condensation is intrinsically a nonequilibrium effect. Here we report the first unambiguous observation of BEC of optically trapped polaritons in thermal equilibrium in a high-Q microcavity, evidenced by equilibrium Bose-Einstein distributions over broad ranges of polariton densities and bath temperatures. With thermal equilibrium established, we verify that polariton condensation is a phase transition with a well-defined density-temperature phase diagram. The measured phase boundary agrees well with the predictions of basic quantum gas theory.

  15. Adaptive Chemical Networks under Non-Equilibrium Conditions: The Evaporating Droplet.

    Science.gov (United States)

    Armao, Joseph J; Lehn, Jean-Marie

    2016-10-17

    Non-volatile solutes in an evaporating drop experience an out-of-equilibrium state due to non-linear concentration effects and complex flow patterns. Here, we demonstrate a small molecule chemical reaction network that undergoes a rapid adaptation response to the out-of-equilibrium conditions inside the droplet leading to control over the molecular constitution and spatial arrangement of the deposition pattern. Adaptation results in a pronounced coffee stain effect and coupling to chemical concentration gradients within the drop is demonstrated. Amplification and suppression of network species are readily identifiable with confocal fluorescence microscopy. We anticipate that these observations will contribute to the design and exploration of out-of-equilibrium chemical systems, as well as be useful towards the development of point-of-care medical diagnostics and controlled deposition of small molecules through inkjet printing. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Equilibrium thermodynamics in modified gravitational theories

    International Nuclear Information System (INIS)

    Bamba, Kazuharu; Geng, C.-Q.; Tsujikawa, Shinji

    2010-01-01

    We show that it is possible to obtain a picture of equilibrium thermodynamics on the apparent horizon in the expanding cosmological background for a wide class of modified gravity theories with the Lagrangian density f(R,φ,X), where R is the Ricci scalar and X is the kinetic energy of a scalar field φ. This comes from a suitable definition of an energy-momentum tensor of the 'dark' component that respects to a local energy conservation in the Jordan frame. In this framework the horizon entropy S corresponding to equilibrium thermodynamics is equal to a quarter of the horizon area A in units of gravitational constant G, as in Einstein gravity. For a flat cosmological background with a decreasing Hubble parameter, S globally increases with time, as it happens for viable f(R) inflation and dark energy models. We also show that the equilibrium description in terms of the horizon entropy S is convenient because it takes into account the contribution of both the horizon entropy S in non-equilibrium thermodynamics and an entropy production term.

  17. Directed motion of a Brownian motor in a temperature gradient

    Science.gov (United States)

    Liu, Yibing; Nie, Wenjie; Lan, Yueheng

    2017-05-01

    Directed motion of mesoscopic systems in a non-equilibrium environment is of great interest to both scientists and engineers. Here, the translation and rotation of a Brownian motor is investigated under non-equilibrium conditions. An anomalous directed translation is found if the two heads of the Brownian motor are immersed in baths with different particle masses, which is hinted in the analytic computation and confirmed by the numerical simulation. Similar consideration is also used to find the directed movement in the single rotational and translational degree of freedom of the Brownian motor when residing in one thermal bath with a temperature gradient.

  18. Achieving Radiation Tolerance through Non-Equilibrium Grain Boundary Structures.

    Science.gov (United States)

    Vetterick, Gregory A; Gruber, Jacob; Suri, Pranav K; Baldwin, Jon K; Kirk, Marquis A; Baldo, Pete; Wang, Yong Q; Misra, Amit; Tucker, Garritt J; Taheri, Mitra L

    2017-09-25

    Many methods used to produce nanocrystalline (NC) materials leave behind non-equilibrium grain boundaries (GBs) containing excess free volume and higher energy than their equilibrium counterparts with identical 5 degrees of freedom. Since non-equilibrium GBs have increased amounts of both strain and free volume, these boundaries may act as more efficient sinks for the excess interstitials and vacancies produced in a material under irradiation as compared to equilibrium GBs. The relative sink strengths of equilibrium and non-equilibrium GBs were explored by comparing the behavior of annealed (equilibrium) and as-deposited (non-equilibrium) NC iron films on irradiation. These results were coupled with atomistic simulations to better reveal the underlying processes occurring on timescales too short to capture using in situ TEM. After irradiation, NC iron with non-equilibrium GBs contains both a smaller number density of defect clusters and a smaller average defect cluster size. Simulations showed that excess free volume contribute to a decreased survival rate of point defects in cascades occurring adjacent to the GB and that these boundaries undergo less dramatic changes in structure upon irradiation. These results suggest that non-equilibrium GBs act as more efficient sinks for defects and could be utilized to create more radiation tolerant materials in future.

  19. Capability Assessment of the Equilibrium Field System in KTX

    International Nuclear Information System (INIS)

    Luo Bing; You Wei; Tan Mingsheng; Bai Wei; Mao Wenzhe; Li Hong; Liu Adi; Lan Tao; Xie Jinlin; Liu Wandong; Luo Zhengping; Xiao Bingjia; Guo Yong

    2016-01-01

    Radial equilibrium of the KTX plasma column is maintained by the vertical field which is produced by the equilibrium field coils. The equilibrium is also affected by the eddy current, which is generated by the coupling of copper shell, plasma and poloidal field coils. An equivalent circuit model is developed to analyze the dynamic performance of equilibrium field coils, without auxiliary power input to equilibrium field coils and passive conductors. Considering the coupling of poloidal field coils, copper shell and plasma, the evolution of spatial distribution of the eddy current density on the copper shell is estimated by finite element to analyze the effect of shell to balance. The simulation results show that the copper shell and equilibrium field coils can provide enough vertical field to balance 1 MA plasma current in phase 1 of a KTX discharge. Auxiliary power supply on the EQ coils is necessary to control the horizontal displacement of KTX due to the finite resistance effect of the shell. (paper)

  20. 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...

  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. Far-from-equilibrium heavy quark energy loss at strong coupling

    CERN Document Server

    Chesler, Paul; Rajagopal, Krishna

    2013-01-01

    We study the energy loss of a heavy quark propagating through the matter produced in the collision of two sheets of energy [1]. Even though this matter is initially far-from-equilibrium we find that, when written in terms of the energy density, the equilibrium expression for heavy quark energy loss describes most qualitative features of our results well. At later times, once a plasma described by viscous hydrodynamics has formed, the equilibrium expression describes the heavy quark energy loss quantitatively. In addition to the drag force that makes it lose energy, a quark moving through the out-of-equilibrium matter feels a force perpendicular to its velocity.

  3. Non-equilibrium reactive flux: A unified framework for slow and fast reaction kinetics.

    Science.gov (United States)

    Bose, Amartya; Makri, Nancy

    2017-10-21

    The flux formulation of reaction rate theory is recast in terms of the expectation value of the reactive flux with an initial condition that corresponds to a non-equilibrium, factorized reactant density. In the common case of slow reactive processes, the non-equilibrium expression reaches the plateau regime only slightly slower than the equilibrium flux form. When the reactants are described by a single quantum state, as in the case of electron transfer reactions, the factorized reactant density describes the true initial condition of the reactive process. In such cases, the time integral of the non-equilibrium flux expression yields the reactant population as a function of time, allowing characterization of the dynamics in cases where there is no clear separation of time scales and thus a plateau regime cannot be identified. The non-equilibrium flux offers a unified approach to the kinetics of slow and fast chemical reactions and is ideally suited to mixed quantum-classical methods.

  4. 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

  5. Comments on equilibrium, transient equilibrium, and secular equilibrium in serial radioactive decay

    International Nuclear Information System (INIS)

    Prince, J.R.

    1979-01-01

    Equations describing serial radioactive decay are reviewed along with published descriptions or transient and secular equilibrium. It is shown that terms describing equilibrium are not used in the same way by various authors. Specific definitions are proposed; they suggest that secular equilibrium is a subset of transient equilibrium

  6. 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.

  7. First-row diatomics: Calculation of the geometry and energetics using self-consistent gradient-functional approximations

    International Nuclear Information System (INIS)

    Kutzler, F.W.; Painter, G.S.

    1992-01-01

    A fully self-consistent series of nonlocal (gradient) density-functional calculations has been carried out using the augmented-Gaussian-orbital method to determine the magnitude of gradient corrections to the potential-energy curves of the first-row diatomics, Li 2 through F 2 . Both the Langreth-Mehl-Hu and the Perdew-Wang gradient-density functionals were used in calculations of the binding energy, bond length, and vibrational frequency for each dimer. Comparison with results obtained in the local-spin-density approximation (LSDA) using the Vosko-Wilk-Nusair functional, and with experiment, reveals that bond lengths and vibrational frequencies are rather insensitive to details of the gradient functionals, including self-consistency effects, but the gradient corrections reduce the overbinding commonly observed in the LSDA calculations of first-row diatomics (with the exception of Li 2 , the gradient-functional binding-energy error is only 50--12 % of the LSDA error). The improved binding energies result from a large differential energy lowering, which occurs in open-shell atoms relative to the diatomics. The stabilization of the atom arises from the use of nonspherical charge and spin densities in the gradient-functional calculations. This stabilization is negligibly small in LSDA calculations performed with nonspherical densities

  8. Emergence of currents as a transient quantum effect in nonequilibrium systems

    Energy Technology Data Exchange (ETDEWEB)

    Granot, Er' el; Marchewka, Avi [Department of Electrical and Electronics Engineering, Ariel University Center of Samaria, Ariel (Israel)

    2011-09-15

    Most current calculations are based on equilibrium or semi-equilibrium models. However, except for very special scenarios (like ring configuration), the current cannot exist in equilibrium. Moreover, unlike with equilibrium scenarios, there is no generic approach to confront out-of-equilibrium currents. In this paper we used recent studies on transient quantum mechanics to solve the current, which appears in the presence of very high density gradients and fast transients. It shows that the emerging current appears instantaneously, and although the density beyond the discontinuity is initially negligible the currents there have a finite value, and remain constant for a finite period. It is shown that this nonequilibrium effect can be measured in real experiments (such as cooled rubidium atoms), where the discontinuity is replaced with a finite width (hundreds of nanometers) gradient.

  9. Emergence of currents as a transient quantum effect in nonequilibrium systems

    International Nuclear Information System (INIS)

    Granot, Er'el; Marchewka, Avi

    2011-01-01

    Most current calculations are based on equilibrium or semi-equilibrium models. However, except for very special scenarios (like ring configuration), the current cannot exist in equilibrium. Moreover, unlike with equilibrium scenarios, there is no generic approach to confront out-of-equilibrium currents. In this paper we used recent studies on transient quantum mechanics to solve the current, which appears in the presence of very high density gradients and fast transients. It shows that the emerging current appears instantaneously, and although the density beyond the discontinuity is initially negligible the currents there have a finite value, and remain constant for a finite period. It is shown that this nonequilibrium effect can be measured in real experiments (such as cooled rubidium atoms), where the discontinuity is replaced with a finite width (hundreds of nanometers) gradient.

  10. Emergence of currents as a transient quantum effect in nonequilibrium systems

    Science.gov (United States)

    Granot, Er'El; Marchewka, Avi

    2011-09-01

    Most current calculations are based on equilibrium or semi-equilibrium models. However, except for very special scenarios (like ring configuration), the current cannot exist in equilibrium. Moreover, unlike with equilibrium scenarios, there is no generic approach to confront out-of-equilibrium currents. In this paper we used recent studies on transient quantum mechanics to solve the current, which appears in the presence of very high density gradients and fast transients. It shows that the emerging current appears instantaneously, and although the density beyond the discontinuity is initially negligible the currents there have a finite value, and remain constant for a finite period. It is shown that this nonequilibrium effect can be measured in real experiments (such as cooled rubidium atoms), where the discontinuity is replaced with a finite width (hundreds of nanometers) gradient.

  11. 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)

  12. SDSS IV MaNGA - metallicity and nitrogen abundance gradients in local galaxies

    Science.gov (United States)

    Belfiore, Francesco; Maiolino, Roberto; Tremonti, Christy; Sánchez, Sebastian F.; Bundy, Kevin; Bershady, Matthew; Westfall, Kyle; Lin, Lihwai; Drory, Niv; Boquien, Médéric; Thomas, Daniel; Brinkmann, Jonathan

    2017-07-01

    We study the gas phase metallicity (O/H) and nitrogen abundance gradients traced by star-forming regions in a representative sample of 550 nearby galaxies in the stellar mass range 109-1011.5 M⊙ with resolved spectroscopic data from the Sloan Digital Sky Survey IV Mapping Nearby Galaxies at Apache Point Observatory survey. Using strong-line ratio diagnostics (R23 and O3N2 for metallicity and N2O2 for N/O) and referencing to the effective (half-light) radius (Re), we find that the metallicity gradient steepens with stellar mass, lying roughly flat among galaxies with log (M⋆/M⊙) = 9.0 but exhibiting slopes as steep as -0.14 dex R_e^{-1} at log (M⋆/M⊙) = 10.5 (using R23, but equivalent results are obtained using O3N2). At higher masses, these slopes remain typical in the outer regions of our sample (R > 1.5Re), but a flattening is observed in the central regions (R 2.0Re), we detect a mild flattening of the metallicity gradient in stacked profiles, although with low significance. The N/O ratio gradient provides complementary constraints on the average chemical enrichment history. Unlike the oxygen abundance, the average N/O profiles do not flatten out in the central regions of massive galaxies. The metallicity and N/O profiles both depart significantly from an exponential form, suggesting a disconnect between chemical enrichment and stellar mass surface density on local scales. In the context of inside-out growth of discs, our findings suggest that central regions of massive galaxies today have evolved to an equilibrium metallicity, while the nitrogen abundance continues to increase as a consequence of delayed secondary nucleosynthetic production.

  13. Investigation of the short argon arc with hot anode. I. Numerical simulations of non-equilibrium effects in the near-electrode regions

    Science.gov (United States)

    Khrabry, A.; Kaganovich, I. D.; Nemchinsky, V.; Khodak, A.

    2018-01-01

    The atmospheric pressure arcs have recently found application in the production of nanoparticles. The distinguishing features of such arcs are small length and hot ablating anode characterized by intensive electron emission and radiation from its surface. We performed a one-dimensional modeling of argon arc, which shows that near-electrode effects of thermal and ionization non-equilibrium play an important role in the operation of a short arc, because the non-equilibrium regions are up to several millimeters long and are comparable to the arc length. The near-anode region is typically longer than the near-cathode region and its length depends more strongly on the current density. The model was extensively verified and validated against previous simulation results and experimental data. The Volt-Ampere characteristic (VAC) of the near-anode region depends on the anode cooling mechanism. The anode voltage is negative. In the case of strong anode cooling (water-cooled anode) when the anode is cold, temperature and plasma density gradients increase with current density, resulting in a decrease of the anode voltage (the absolute value increases). Falling VAC of the near-anode region suggests the arc constriction near the anode. Without anode cooling, the anode temperature increases significantly with the current density, leading to a drastic increase in the thermionic emission current from the anode. Correspondingly, the anode voltage increases to suppress the emission, and the opposite trend in the VAC is observed. The results of simulations were found to be independent of sheath model used: collisional (fluid) or collisionless model gave the same plasma profiles for both near-anode and near-cathode regions.

  14. New Non-Stationary Gradient Model of Heat-Mass-Electric Charge Transfer in Thin Porous Media

    Directory of Open Access Journals (Sweden)

    V. Rogankov

    2017-10-01

    Full Text Available The well-known complicated system of non-equilibrium balance equations for a continuous fluid (f medium needs the new non-Gibbsian model of f-phase to be applicable for description of the heterogeneous porous media (PMs. It should be supplemented by the respective coupled thermal and caloric equations of state (EOS developed specially for PMs to become adequate and solvable for the irreversible transport f-processes. The set of standard assumptions adopted by the linear (or quasi-linear non-equilibrium thermodynamics are based on the empirical gradient-caused correlations between flows and forces. It leads, in particular, to the oversimplified stationary solutions for PMs. The most questionable but typical modeling suppositions of the stationary gradient (SG theory are: 1 the assumption of incompressibility accepted, as a rule, for f-flows; 2 the ignorance of distinctions between the hydrophilic and hydrophobic influence of a porous matrix on the properties; 3 the omission of effects arising due to the concomitant phase intra-porous transitions between the neighboring f-fragments with the sharp differences in densities; 4 the use of exclusively Gibbsian (i.e. homogeneous and everywhere differentiable description of any f-phase in PM; 5 the very restrictive reduction of the mechanical velocity field to its specific potential form in the balance equation of f-motion as well as of the heat velocity field in the balance equation of internal energy; 6 the neglect of the new specific peculiarities arising due to the study of any non-equilibrium PM in the meso- and nano-scales of a finite-size macroscopic (N,V-system of discrete particles. This work is an attempt to develop the alternative non-stationary gradient (NSG model of real irreversible processes in PM. Another aim is to apply it without the above restrictions 1-6 to the description of f-flows through the obviously non-Gibbsian thin porous medium (TPM. We will suppose that it is composed by two

  15. 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

  16. Composition and partition functions of partially ionized hydrogen plasma in Non-Local Thermal Equilibrium (Non-LThE) and Non-Local Chemical Equilibrium (Non-LChE)

    International Nuclear Information System (INIS)

    Chen Kuan; Eddy, T.L.

    1993-01-01

    A GTME (Generalized MultiThermodynamic Equilibrium) plasma model is developed for plasmas in both Non-LThE (Non-Local Thermal Equilibrium) and Non-LChE (Non-Local Chemical Equilibrium). The model uses multitemperatures for thermal nonequilibrium and non-zero chemical affinities as a measure of the deviation from chemical equilibrium. The plasma is treated as an ideal gas with the Debye-Hueckel approximation employed for pressure correction. The proration method is used when the cutoff energy level is between two discrete levels. The composition and internal partition functions of a hydrogen plasma are presented for electron temperatures ranging from 5000 to 35000 K and pressures from 0.1 to 1000 kPa. Number densities of 7 different species of hydrogen plasma and internal partition functions of different energy modes (rotational, vibrational, and electronic excitation) are computed for three affinity values. The results differ from other plasma properties in that they 1) are not based on equilibrium properties; and 2) are expressed as a function of different energy distribution parameters (temperatures) within each energy mode of each species as appropriate. The computed number densities and partition functions are applicable to calculating the thermodynamic, transport, and radiation properties of a hydrogen plasma not in thermal and chemical equilibria. The nonequilibrium plasma model and plasma compositions presented in this paper are very useful to the diagnosis of high-speed and/or low-pressure plasma flows in which the assumptions of local thermal and chemical equilibrium are invalid. (orig.)

  17. A Bio-Inspired Approach to Traffic Network Equilibrium Assignment Problem.

    Science.gov (United States)

    Zhang, Xiaoge; Mahadevan, Sankaran

    2018-04-01

    Finding an equilibrium state of the traffic assignment plays a significant role in the design of transportation networks. We adapt the path finding mathematical model of slime mold Physarum polycephalum to solve the traffic equilibrium assignment problem. We make three contributions in this paper. First, we propose a generalized Physarum model to solve the shortest path problem in directed and asymmetric graphs. Second, we extend it further to resolve the network design problem with multiple source nodes and sink nodes. At last, we demonstrate that the Physarum solver converges to the user-optimized (Wardrop) equilibrium by dynamically updating the costs of links in the network. In addition, convergence of the developed algorithm is proved. Numerical examples are used to demonstrate the efficiency of the proposed algorithm. The superiority of the proposed algorithm is demonstrated in comparison with several other algorithms, including the Frank-Wolfe algorithm, conjugate Frank-Wolfe algorithm, biconjugate Frank-Wolfe algorithm, and gradient projection algorithm.

  18. A Local Probe for Universal Non-equilibrium Dynamics

    Science.gov (United States)

    2015-06-01

    shown are polarizing beam splitters . About 700µW are superimposed with a reference laser on a glass plate and coupled into an optical fiber to detect...A Local Probe for Universal Non -equilibrium Dynamics We report on the results obtained across a nine-month ARO-sponsored project, whose purpose was...to implement a local probe for a gas of ultracold atoms. We used a phase plate with a spiral phase gradient to create a hollow-core laser beam . This

  19. 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.

  20. 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.

  1. 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.

  2. Dynamical density functional theory for dense atomic liquids

    International Nuclear Information System (INIS)

    Archer, A J

    2006-01-01

    Starting from Newton's equations of motion, we derive a dynamical density functional theory (DDFT) applicable to atomic liquids. The theory has the feature that it requires as input the Helmholtz free energy functional from equilibrium density functional theory. This means that, given a reliable equilibrium free energy functional, the correct equilibrium fluid density profile is guaranteed. We show that when the isothermal compressibility is small, the DDFT generates the correct value for the speed of sound in a dense liquid. We also interpret the theory as a dynamical equation for a coarse grained fluid density and show that the theory can be used (making further approximations) to derive the standard mode coupling theory that is used to describe the glass transition. The present theory should provide a useful starting point for describing the dynamics of inhomogeneous atomic fluids

  3. 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

  4. Assembly of multiple cell gradients directed by three-dimensional microfluidic channels.

    Science.gov (United States)

    Li, Yiwei; Feng, Xiaojun; Wang, Yachao; Du, Wei; Chen, Peng; Liu, Chao; Liu, Bi-Feng

    2015-08-07

    Active control over the cell gradient is essential for understanding biological systems and the reconstitution of the functionality of many types of tissues, particularly for organ-on-a-chip. Here, we propose a three-dimensional (3D) microfluidic strategy for generating controllable cell gradients. In this approach, a homogeneous cell suspension is loaded into a 3D stair-shaped PDMS microchannel to generate a cell gradient within 10 min by sedimentation. We demonstrate that cell gradients of various profiles (exponential and piecewise linear) can be achieved by precisely controlling the height of each layer during the fabrication. With sequential seeding, we further demonstrate the generation of two overlapping cell gradients on the same glass substrate with pre-defined designs. The cell gradient-based QD cytotoxicity assay also demonstrated that cell behaviors and resistances were regulated by the changes in cell density. These results reveal that the proposed 3D microfluidic strategy provides a simple and versatile means for establishing controllable gradients in cell density, opening up a new avenue for reconstructing functional tissues.

  5. Thermal equilibrium, stability and burn control

    International Nuclear Information System (INIS)

    Cohn, D.

    1982-01-01

    A number of aspects of the thermal stability and equilibrium control of ignited tokamak plasma have been investigated. Examined approaches were passive control (the effect of radial motion, the effect of radial motion and small additional transport loss), active control (the compression and decompression of plasma, subignited operation with small amount of variable external heating, and density control), and thermal equilibrium control (additional power loss from impurity radiation and enhanced transport from increased ripple). One-D calculation has been made on thermal instability eigen-modes. It was found that for electron thermal induction loss given by Alcator scaling and for neoclassical ion transport, there was at most one unstable mode with a temperature profile which maintains the temperature profile at thermal equilibrium. The effect of the coupling of temperature fluctuation and the fluctuation in major radius was investigated. Temperature driven radial motion combined with a small amount of ripple transport loss was found to be a very effective mechanism for passive thermal stability control. (Kato, T.)

  6. Convective plasma stability consistent with MHD equilibrium in magnetic confinement systems with a decreasing field

    International Nuclear Information System (INIS)

    Tsventoukh, M. M.

    2010-01-01

    A study is made of the convective (interchange, or flute) plasma stability consistent with equilibrium in magnetic confinement systems with a magnetic field decreasing outward and large curvature of magnetic field lines. Algorithms are developed which calculate convective plasma stability from the Kruskal-Oberman kinetic criterion and in which the convective stability is iteratively consistent with MHD equilibrium for a given pressure and a given type of anisotropy in actual magnetic geometry. Vacuum and equilibrium convectively stable configurations in systems with a decreasing, highly curved magnetic field are calculated. It is shown that, in convectively stable equilibrium, the possibility of achieving high plasma pressures in the central region is restricted either by the expansion of the separatrix (when there are large regions of a weak magnetic field) or by the filamentation of the gradient plasma current (when there are small regions of a weak magnetic field, in which case the pressure drops mainly near the separatrix). It is found that, from the standpoint of equilibrium and of the onset of nonpotential ballooning modes, a kinetic description of convective stability yields better plasma confinement parameters in systems with a decreasing, highly curved magnetic field than a simpler MHD model and makes it possible to substantially improve the confinement parameters for a given type of anisotropy. For the Magnetor experimental compact device, the maximum central pressure consistent with equilibrium and stability is calculated to be as high as β ∼ 30%. It is shown that, for the anisotropy of the distribution function that is typical of a background ECR plasma, the limiting pressure gradient is about two times steeper than that for an isotropic plasma. From a practical point of view, the possibility is demonstrated of achieving better confinement parameters of a hot collisionless plasma in systems with a decreasing, highly curved magnetic field than those

  7. CORONAL DENSITY STRUCTURE AND ITS ROLE IN WAVE DAMPING IN LOOPS

    Energy Technology Data Exchange (ETDEWEB)

    Cargill, P. J. [Space and Atmospheric Physics, The Blackett Laboratory, Imperial College, London SW7 2BW (United Kingdom); De Moortel, I.; Kiddie, G., E-mail: p.cargill@imperial.ac.uk [School of Mathematics and Statistics, University of St Andrews, St Andrews, Scotland KY16 9SS (United Kingdom)

    2016-05-20

    It has long been established that gradients in the Alfvén speed, and in particular the plasma density, are an essential part of the damping of waves in the magnetically closed solar corona by mechanisms such as resonant absorption and phase mixing. While models of wave damping often assume a fixed density gradient, in this paper the self-consistency of such calculations is assessed by examining the temporal evolution of the coronal density. It is shown conceptually that for some coronal structures, density gradients can evolve in a way that the wave-damping processes are inhibited. For the case of phase mixing we argue that (a) wave heating cannot sustain the assumed density structure and (b) inclusion of feedback of the heating on the density gradient can lead to a highly structured density, although on long timescales. In addition, transport coefficients well in excess of classical are required to maintain the observed coronal density. Hence, the heating of closed coronal structures by global oscillations may face problems arising from the assumption of a fixed density gradient, and the rapid damping of oscillations may have to be accompanied by a separate (non-wave-based) heating mechanism to sustain the required density structuring.

  8. Calculation code NIRVANA for free boundary MHD equilibrium

    International Nuclear Information System (INIS)

    Ninomiya, Hiromasa; Suzuki, Yasuo; Kameari, Akihisa

    1975-03-01

    The calculation method and code of solving the free boundary problem for MHD equilibrium has been developed. Usage of the code ''NIRVANA'' is described. The toroidal plasma current density determined as a function of the flux function PSI is substituted by a group of the ring currents, whereby the equation of MHD equilibrium is transformed into an integral equation. Either of the two iterative methods is chosen to solve the integral equation, depending on the assumptions made of the plasma surface points. Calculation of the magnetic field configurations is possible when the plasma surface coincides self-consistently with the magnetic flux including the separatrix points. The code is usable in calculation of the circular or non-circular shell-less Tokamak equilibrium. (auth.)

  9. High-Sensitivity Measurement of Density by Magnetic Levitation.

    Science.gov (United States)

    Nemiroski, Alex; Kumar, A A; Soh, Siowling; Harburg, Daniel V; Yu, Hai-Dong; Whitesides, George M

    2016-03-01

    This paper presents methods that use Magnetic Levitation (MagLev) to measure very small differences in density of solid diamagnetic objects suspended in a paramagnetic medium. Previous work in this field has shown that, while it is a convenient method, standard MagLev (i.e., where the direction of magnetization and gravitational force are parallel) cannot resolve differences in density mm) because (i) objects close in density prevent each other from reaching an equilibrium height due to hard contact and excluded volume, and (ii) using weaker magnets or reducing the magnetic susceptibility of the medium destabilizes the magnetic trap. The present work investigates the use of weak magnetic gradients parallel to the faces of the magnets as a means of increasing the sensitivity of MagLev without destabilization. Configuring the MagLev device in a rotated state (i.e., where the direction of magnetization and gravitational force are perpendicular) relative to the standard configuration enables simple measurements along the axes with the highest sensitivity to changes in density. Manipulating the distance of separation between the magnets or the lengths of the magnets (along the axis of measurement) enables the sensitivity to be tuned. These modifications enable an improvement in the resolution up to 100-fold over the standard configuration, and measurements with resolution down to 10(-6) g/cm(3). Three examples of characterizing the small differences in density among samples of materials having ostensibly indistinguishable densities-Nylon spheres, PMMA spheres, and drug spheres-demonstrate the applicability of rotated Maglev to measuring the density of small (0.1-1 mm) objects with high sensitivity. This capability will be useful in materials science, separations, and quality control of manufactured objects.

  10. Saturated ideal kink/peeling formations described as three-dimensional magnetohydrodynamic tokamak equilibrium states

    Energy Technology Data Exchange (ETDEWEB)

    Cooper, W. A.; Brunetti, D.; Duval, B. P.; Faustin, J. M.; Graves, J. P.; Kleiner, A.; Patten, H.; Pfefferlé, D.; Porte, L.; Raghunathan, M.; Reimerdes, H.; Sauter, O.; Tran, T. M., E-mail: wilfred.cooper@epfl.ch [Ecole Polytechnique Fédérale de Lausanne (EPFL), Swiss Plasma Center (SPC), CH-1015 Lausanne (Switzerland)

    2016-04-15

    Free boundary magnetohydrodynamic equilibrium states with spontaneous three dimensional deformations of the plasma-vacuum interface are computed for the first time. The structures obtained have the appearance of saturated ideal external kink/peeling modes. High edge pressure gradients yield toroidal mode number n = 1 corrugations for a high edge bootstrap current and larger n distortions when this current is small. Deformations in the plasma boundary region induce a nonaxisymmetric Pfirsch-Schlüter current driving a field-aligned current ribbon consistent with reported experimental observations. A variation in the 3D equilibrium confirms that the n = 1 mode is a kink/peeling structure. We surmise that our calculated equilibrium structures constitute a viable model for the edge harmonic oscillations and outer modes associated with a quiescent H-mode operation in shaped tokamak plasmas.

  11. Poloidal field equilibrium calculations for JET

    International Nuclear Information System (INIS)

    Khalafallah, A.K.

    1976-01-01

    The structure of the JET 2D Poloidal Field Analysis Package is discussed. The ability to cope with different plasma current density distributions (skin, flat or peaked), each with a range of Beta poloidal values and varying plasma shapes is a new feature of these calculations. It is possible to construct instant-by-instant pictures of equilibrium configurations for various plasma build up scenarios taking into account the level of flux in the iron core and return limbs. The equilibrium configurations are calculated for two possible sequences of plasma build up. Examples of the magnetic field calculations being carried out under contract to JET at the Rutherford Laboratory, using a 3D code, are also given

  12. Initial conditions of non-equilibrium quark-gluon plasma evolution

    International Nuclear Information System (INIS)

    Shmatov, S.V.

    2002-01-01

    In accordance with the hydrodynamic Bjorken limit, the initial energy density and temperature for a chemical non-equilibrium quark-gluon system formed in the heavy ion collisions at the LHC are computed. The dependence of this value on the type of colliding nuclei and the collision impact parameter is studied. The principle possibility of the non-equilibrium quark-gluon plasma (QGP) formation in the light nuclei collisions is shown. The life time of QGP is calculated. (author)

  13. 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.

  14. Thermodynamic theory of equilibrium fluctuations

    International Nuclear Information System (INIS)

    Mishin, Y.

    2015-01-01

    The postulational basis of classical thermodynamics has been expanded to incorporate equilibrium fluctuations. The main additional elements of the proposed thermodynamic theory are the concept of quasi-equilibrium states, a definition of non-equilibrium entropy, a fundamental equation of state in the entropy representation, and a fluctuation postulate describing the probability distribution of macroscopic parameters of an isolated system. Although these elements introduce a statistical component that does not exist in classical thermodynamics, the logical structure of the theory is different from that of statistical mechanics and represents an expanded version of thermodynamics. Based on this theory, we present a regular procedure for calculations of equilibrium fluctuations of extensive parameters, intensive parameters and densities in systems with any number of fluctuating parameters. The proposed fluctuation formalism is demonstrated by four applications: (1) derivation of the complete set of fluctuation relations for a simple fluid in three different ensembles; (2) fluctuations in finite-reservoir systems interpolating between the canonical and micro-canonical ensembles; (3) derivation of fluctuation relations for excess properties of grain boundaries in binary solid solutions, and (4) derivation of the grain boundary width distribution for pre-melted grain boundaries in alloys. The last two applications offer an efficient fluctuation-based approach to calculations of interface excess properties and extraction of the disjoining potential in pre-melted grain boundaries. Possible future extensions of the theory are outlined.

  15. Effect of temperature gradient on liquid-liquid phase separation in a polyolefin blend.

    Science.gov (United States)

    Jiang, Hua; Dou, Nannan; Fan, Guoqiang; Yang, Zhaohui; Zhang, Xiaohua

    2013-09-28

    We have investigated experimentally the structure formation processes during phase separation via spinodal decomposition above and below the spinodal line in a binary polymer blend system exposed to in-plane stationary thermal gradients using phase contrast optical microscopy and temperature gradient hot stage. Below the spinodal line there is a coupling of concentration fluctuations and thermal gradient imposed by the temperature gradient hot stage. Also under the thermal gradient annealing phase-separated domains grow faster compared with the system under homogeneous temperature annealing on a zero-gradient or a conventional hot stage. We suggest that the in-plane thermal gradient accelerates phase separation through the enhancement in concentration fluctuations in the early and intermediate stages of spinodal decomposition. In a thermal gradient field, the strength of concentration fluctuation close to the critical point (above the spinodal line) is strong enough to induce phase separation even in one-phase regime of the phase diagram. In the presence of a temperature gradient the equilibrium phase diagrams are no longer valid, and the systems with an upper critical solution temperature can be quenched into phase separation by applying the stationary temperature gradient. The in-plane temperature gradient drives enhanced concentration fluctuations in a binary polymer blend system above and below the spinodal line.

  16. Probing the equilibrium dynamics of colloidal hard spheres above the mode-coupling glass transition

    NARCIS (Netherlands)

    Brambilla, G.; al Masri, J.H.M.; Pierno, M.; Berthier, L.; Cipelletti, L.

    2010-01-01

    We use dynamic light scattering and computer simulations to study equilibrium dynamics and dynamic heterogeneity in concentrated suspensions of colloidal hard spheres. Our study covers an unprecedented density range and spans seven decades in structural relaxation time, , including equilibrium

  17. Efficacy of surface error corrections to density functional theory calculations of vacancy formation energy in transition metals.

    Science.gov (United States)

    Nandi, Prithwish Kumar; Valsakumar, M C; Chandra, Sharat; Sahu, H K; Sundar, C S

    2010-09-01

    We calculate properties like equilibrium lattice parameter, bulk modulus and monovacancy formation energy for nickel (Ni), iron (Fe) and chromium (Cr) using Kohn-Sham density functional theory (DFT). We compare the relative performance of local density approximation (LDA) and generalized gradient approximation (GGA) for predicting such physical properties for these metals. We also make a relative study between two different flavors of GGA exchange correlation functional, namely PW91 and PBE. These calculations show that there is a discrepancy between DFT calculations and experimental data. In order to understand this discrepancy in the calculation of vacancy formation energy, we introduce a correction for the surface intrinsic error corresponding to an exchange correlation functional using the scheme implemented by Mattsson et al (2006 Phys. Rev. B 73 195123) and compare the effectiveness of the correction scheme for Al and the 3d transition metals.

  18. The η/s of hadrons out of chemical equilibrium

    International Nuclear Information System (INIS)

    Wiranata, A; Wang, X N; Prakash, M; Huovinen, P; Koch, V

    2014-01-01

    We study how the shear viscosity, η, entropy density, s, and η/s depend on growing hadron chemical potentials resulting from the loss of chemical equilibrium during the evolution of a relativistic heavy-ion collision. Our calculations here are for an interacting pion gas in a system of net baryon number zero. Time evolution of the temperature and pion chemical potential are taken from ideal fluid hydrodynamic calculations of RHIC and LHC collisions. We find that the shear viscosity decreases whereas the entropy density increases with increasing pion chemical potential resulting in values of η/s that are slightly reduced from the case of chemical potentials being zero when chemical equilibrium prevails. Our results indicate that the inclusion of additional mesons and baryons will likely lead to further reduction in the value of η/s.

  19. Impact of Te and ne on edge current density profiles in ELM mitigated regimes on ASDEX Upgrade

    Science.gov (United States)

    Dunne, M. G.; Rathgeber, S.; Burckhart, A.; Fischer, R.; Giannone, L.; McCarthy, P. J.; Schneider, P. A.; Wolfrum, E.; the ASDEX Upgrade Team

    2015-01-01

    ELM resolved edge current density profiles are reconstructed using the CLISTE equilibrium code. As input, highly spatially and temporally resolved edge electron temperature and density profiles are used in addition to data from the extensive set of external poloidal field measurements available at ASDEX Upgrade, flux loop difference measurements, and current measurements in the scrape-off layer. Both the local and flux surface averaged current density profiles are analysed for several ELM mitigation regimes. The focus throughout is on the impact of altered temperature and density profiles on the current density. In particular, many ELM mitigation regimes rely on operation at high density. Two reference plasmas with type-I ELMs are analysed, one with a deuterium gas puff and one without, in order to provide a reference for the behaviour in type-II ELMy regimes and high density ELM mitigation with external magnetic perturbations at ASDEX Upgrade. For type-II ELMs it is found that while a similar pedestal top pressure is sustained at the higher density, the temperature gradient decreases in the pedestal. This results in lower local and flux surface averaged current densities in these phases, which reduces the drive for the peeling mode. No significant differences between the current density measured in the type-I phase and ELM mitigated phase is seen when external perturbations are applied, though the pedestal top density was increased. Finally, ELMs during the nitrogen seeded phase of a high performance discharge are analysed and compared to ELMs in the reference phase. An increased pedestal pressure gradient, which is the source of confinement improvement in impurity seeded discharges, causes a local current density increase. However, the increased Zeff in the pedestal acts to reduce the flux surface averaged current density. This dichotomy, which is not observed in other mitigation regimes, could act to stabilize both the ballooning mode and the peeling mode at the

  20. Effect of impurity radiation on tokamak equilibrium

    International Nuclear Information System (INIS)

    Rebut, P.H.; Green, B.J.

    1977-01-01

    The energy loss from a tokamak plasma due to the radiation from impurities is of great importance in the overall energy balance. Taking the temperature dependence of this loss for two impurities characteristic of those present in existing tokamak plasmas, the condition for radial power balance is derived. For the impurities considered (oxygen and iron) it is found that the radiation losses are concentrated in a thin outer layer of the plasma and the equilibrium condition places an upper limit on the plasma paraticle number density in this region. This limiting density scales with mean current density in the same manner as is experimentally observed for the peak number density of tokamak plasmas. The stability of such equilibria is also discussed. (author)

  1. 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...

  2. Three-particle equilibrium correlations in dense hard-sphere fluids

    NARCIS (Netherlands)

    Haffmans, A.F.E.M.; Schepper, I.M. de; Michels, J.P.J.; Beijeren, H. van

    1988-01-01

    We performed molecular-dynamics simulation experiments for a hard-sphere fluid at four high densities and determined the spatial Fourier transform of the three-particle equilibrium correlation function with two of the three particles at contact.

  3. Density limits in Tokamaks

    International Nuclear Information System (INIS)

    Tendler, M.

    1984-06-01

    The energy loss from a tokamak plasma due to neutral hydrogen radiation and recycling is of great importance for the energy balance at the periphery. It is shown that the requirement for thermal equilibrium implies a constraint on the maximum attainable edge density. The relation to other density limits is discussed. The average plasma density is shown to be a strong function of the refuelling deposition profile. (author)

  4. Equilibrium fluctuations formulas for the quantum one-component plasma in a magnetic field

    NARCIS (Netherlands)

    John, P.; Suttorp, L.G.

    1993-01-01

    The authors derive a complete set of equilibrium fluctuation formulae for the charge density, the current density and the energy density of the quantum one-component plasma in a magnetic field. The derivation is based on the use of imaginary-time-dependent Green functions and their Kubo transforms.

  5. Plasma-edge gradients in L-mode and ELM-free H-mode JET plasmas

    International Nuclear Information System (INIS)

    Breger, P.; Zastrow, K.-D.; Davies, S.J.; K ig, R.W.T.; Summers, D.D.R.; Hellermann, M.G. von; Flewin, C.; Hawkes, N.C.; Pietrzyk, Z.A.; Porte, L.

    1998-01-01

    Experimental plasma-edge gradients in JET during the edge-localized-mode (ELM) free H-mode are examined for evidence of the presence and location of the transport barrier region inside the magnetic separatrix. High spatial resolution data in electron density is available in- and outside the separatrix from an Li-beam diagnostic, and in electron temperature inside the separatrix from an ECE diagnostic, while outside the separatrix, a reciprocating probe provides electron density and temperature data in the scrape-off layer. Ion temperatures and densities are measured using an edge charge-exchange diagnostic. A comparison of observed widths and gradients of this edge region with each other and with theoretical expectations is made. Measurements show that ions and electrons form different barrier regions. Furthermore, the electron temperature barrier width (3-4 cm) is about twice that of electron density, in conflict with existing scaling laws. Suitable parametrization of the edge data enables an electron pressure gradient to be deduced for the first time at JET. It rises during the ELM-free phase to reach only about half the marginal pressure gradient expected from ballooning stability before the first ELM. Subsequent type I ELMs occur on a pressure gradient contour roughly consistent with both a constant barrier width model and a ballooning mode envelope model. (author)

  6. Equilibrium Droplets on Deformable Substrates: Equilibrium Conditions.

    Science.gov (United States)

    Koursari, Nektaria; Ahmed, Gulraiz; Starov, Victor M

    2018-05-15

    Equilibrium conditions of droplets on deformable substrates are investigated, and it is proven using Jacobi's sufficient condition that the obtained solutions really provide equilibrium profiles of both the droplet and the deformed support. At the equilibrium, the excess free energy of the system should have a minimum value, which means that both necessary and sufficient conditions of the minimum should be fulfilled. Only in this case, the obtained profiles provide the minimum of the excess free energy. The necessary condition of the equilibrium means that the first variation of the excess free energy should vanish, and the second variation should be positive. Unfortunately, the mentioned two conditions are not the proof that the obtained profiles correspond to the minimum of the excess free energy and they could not be. It is necessary to check whether the sufficient condition of the equilibrium (Jacobi's condition) is satisfied. To the best of our knowledge Jacobi's condition has never been verified for any already published equilibrium profiles of both the droplet and the deformable substrate. A simple model of the equilibrium droplet on the deformable substrate is considered, and it is shown that the deduced profiles of the equilibrium droplet and deformable substrate satisfy the Jacobi's condition, that is, really provide the minimum to the excess free energy of the system. To simplify calculations, a simplified linear disjoining/conjoining pressure isotherm is adopted for the calculations. It is shown that both necessary and sufficient conditions for equilibrium are satisfied. For the first time, validity of the Jacobi's condition is verified. The latter proves that the developed model really provides (i) the minimum of the excess free energy of the system droplet/deformable substrate and (ii) equilibrium profiles of both the droplet and the deformable substrate.

  7. 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.)

  8. Characteristics of equilibrium and perturbed transport coefficients in tokamaks

    International Nuclear Information System (INIS)

    Gentle, K.W.

    1995-01-01

    Although the evolution of a perturbation to a tokamak equilibrium can generally be described by local transport coefficients modestly enhanced above the equilibrium values, there are some significant cases for which this is inadequate. The density profile evolution in ASDEX-U occurs far more rapidly than is consistent with reasonable particle confinement times, and the evolution of cold pulses in TEXT requires nonlocal behavior in the core and some kind of anomaly near the periphery. The experiments are suggesting effects beyond standard local turbulent transport models. (orig.)

  9. Game Algorithm for Resource Allocation Based on Intelligent Gradient in HetNet

    Directory of Open Access Journals (Sweden)

    Fang Ye

    2017-02-01

    Full Text Available In order to improve system performance such as throughput, heterogeneous network (HetNet has become an effective solution in Long Term Evolution-Advanced (LET-A. However, co-channel interference leads to degradation of the HetNet throughput, because femtocells are always arranged to share the spectrum with the macro base station. In this paper, in view of the serious cross-layer interference in double layer HetNet, the Stackelberg game model is adopted to analyze the resource allocation methods of the network. Unlike the traditional system models only focusing on macro base station performance improvement, we take into account the overall system performance and build a revenue function with convexity. System utility functions are defined as the average throughput, which does not adopt frequency spectrum trading method, so as to avoid excessive signaling overhead. Due to the value scope of continuous Nash equilibrium of the built game model, the gradient iterative algorithm is introduced to reduce the computational complexity. As for the solution of Nash equilibrium, one kind of gradient iterative algorithm is proposed, which is able to intelligently choose adjustment factors. The Nash equilibrium can be quickly solved; meanwhile, the step of presetting adjustment factors is avoided according to network parameters in traditional linear iterative model. Simulation results show that the proposed algorithm enhances the overall performance of the system.

  10. Potential and flux field landscape theory. I. Global stability and dynamics of spatially dependent non-equilibrium systems.

    Science.gov (United States)

    Wu, Wei; Wang, Jin

    2013-09-28

    We established a potential and flux field landscape theory to quantify the global stability and dynamics of general spatially dependent non-equilibrium deterministic and stochastic systems. We extended our potential and flux landscape theory for spatially independent non-equilibrium stochastic systems described by Fokker-Planck equations to spatially dependent stochastic systems governed by general functional Fokker-Planck equations as well as functional Kramers-Moyal equations derived from master equations. Our general theory is applied to reaction-diffusion systems. For equilibrium spatially dependent systems with detailed balance, the potential field landscape alone, defined in terms of the steady state probability distribution functional, determines the global stability and dynamics of the system. The global stability of the system is closely related to the topography of the potential field landscape in terms of the basins of attraction and barrier heights in the field configuration state space. The effective driving force of the system is generated by the functional gradient of the potential field alone. For non-equilibrium spatially dependent systems, the curl probability flux field is indispensable in breaking detailed balance and creating non-equilibrium condition for the system. A complete characterization of the non-equilibrium dynamics of the spatially dependent system requires both the potential field and the curl probability flux field. While the non-equilibrium potential field landscape attracts the system down along the functional gradient similar to an electron moving in an electric field, the non-equilibrium flux field drives the system in a curly way similar to an electron moving in a magnetic field. In the small fluctuation limit, the intrinsic potential field as the small fluctuation limit of the potential field for spatially dependent non-equilibrium systems, which is closely related to the steady state probability distribution functional, is

  11. Near-equilibrium dumb-bell-shaped figures for cohesionless small bodies

    Science.gov (United States)

    Descamps, Pascal

    2016-02-01

    In a previous paper (Descamps, P. [2015]. Icarus 245, 64-79), we developed a specific method aimed to retrieve the main physical characteristics (shape, density, surface scattering properties) of highly elongated bodies from their rotational lightcurves through the use of dumb-bell-shaped equilibrium figures. The present work is a test of this method. For that purpose we introduce near-equilibrium dumb-bell-shaped figures which are base dumb-bell equilibrium shapes modulated by lognormal statistics. Such synthetic irregular models are used to generate lightcurves from which our method is successfully applied. Shape statistical parameters of such near-equilibrium dumb-bell-shaped objects are in good agreement with those calculated for example for the Asteroid (216) Kleopatra from its dog-bone radar model. It may suggest that such bilobed and elongated asteroids can be approached by equilibrium figures perturbed be the interplay with a substantial internal friction modeled by a Gaussian random sphere.

  12. Evaluating equilibrium and non-equilibrium transport of bromide and isoproturon in disturbed and undisturbed soil columns

    Science.gov (United States)

    Dousset, S.; Thevenot, M.; Pot, V.; Šimunek, J.; Andreux, F.

    2007-12-01

    In this study, displacement experiments of isoproturon were conducted in disturbed and undisturbed columns of a silty clay loam soil under similar rainfall intensities. Solute transport occurred under saturated conditions in the undisturbed soil and under unsaturated conditions in the sieved soil because of a greater bulk density of the compacted undisturbed soil compared to the sieved soil. The objective of this work was to determine transport characteristics of isoproturon relative to bromide tracer. Triplicate column experiments were performed with sieved (structure partially destroyed to simulate conventional tillage) and undisturbed (structure preserved) soils. Bromide experimental breakthrough curves were analyzed using convective-dispersive and dual-permeability (DP) models (HYDRUS-1D). Isoproturon breakthrough curves (BTCs) were analyzed using the DP model that considered either chemical equilibrium or non-equilibrium transport. The DP model described the bromide elution curves of the sieved soil columns well, whereas it overestimated the tailing of the bromide BTCs of the undisturbed soil columns. A higher degree of physical non-equilibrium was found in the undisturbed soil, where 56% of total water was contained in the slow-flow matrix, compared to 26% in the sieved soil. Isoproturon BTCs were best described in both sieved and undisturbed soil columns using the DP model combined with the chemical non-equilibrium. Higher degradation rates were obtained in the transport experiments than in batch studies, for both soils. This was likely caused by hysteresis in sorption of isoproturon. However, it cannot be ruled out that higher degradation rates were due, at least in part, to the adopted first-order model. Results showed that for similar rainfall intensity, physical and chemical non-equilibrium were greater in the saturated undisturbed soil than in the unsaturated sieved soil. Results also suggested faster transport of isoproturon in the undisturbed soil due

  13. An x-ray backlit Talbot-Lau deflectometer for high-energy-density electron density diagnostics

    Science.gov (United States)

    Valdivia, M. P.; Stutman, D.; Stoeckl, C.; Theobald, W.; Mileham, C.; Begishev, I. A.; Bromage, J.; Regan, S. P.

    2016-02-01

    X-ray phase-contrast techniques can measure electron density gradients in high-energy-density plasmas through refraction induced phase shifts. An 8 keV Talbot-Lau interferometer consisting of free standing ultrathin gratings was deployed at an ultra-short, high-intensity laser system using K-shell emission from a 1-30 J, 8 ps laser pulse focused on thin Cu foil targets. Grating survival was demonstrated for 30 J, 8 ps laser pulses. The first x-ray deflectometry images obtained under laser backlighting showed up to 25% image contrast and thus enabled detection of electron areal density gradients with a maximum value of 8.1 ± 0.5 × 1023 cm-3 in a low-Z millimeter sized sample. An electron density profile was obtained from refraction measurements with an error of x-ray source-size, similar to conventional radiography.

  14. 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.

  15. 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

  16. Use of S-α diagram for representing tokamak equilibrium

    International Nuclear Information System (INIS)

    Takahashi, H.; Chance, M.; Kessel, C.; LeBlanc, B.; Manickam, J.; Okabayashi, M.

    1991-05-01

    A use of the S-α diagram is proposed as a tool for representing the plasma equilibrium with a qualitative characterization of its stability through pattern recognition. The diagram is an effective tool for visually presenting the relationship between the shear and dimensionless pressure gradient of an equilibrium. In the PBX-M tokamak, an H-mode operating regime with high poloidal β and L-mode regime with high toroidal β, obtained using different profile modification techniques, are found to have distinct S-α trajectory patterns. Pellet injection into a plasma in the H-mode regime with high toroidal β, obtained using different profile modification techniques, are found to have distinct S-α trajectory patterns. Pellet injection into a plasma in the H-mode regime results in favorable qualities of both regimes. The β collapse process and ELM event also manifest themselves as characteristic changes in the S-α pattern

  17. Thermodynamic chemical energy transfer mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium chemical reactions

    International Nuclear Information System (INIS)

    Roh, Heui-Seol

    2015-01-01

    Chemical energy transfer mechanisms at finite temperature are explored by a chemical energy transfer theory which is capable of investigating various chemical mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium. Gibbs energy fluxes are obtained as a function of chemical potential, time, and displacement. Diffusion, convection, internal convection, and internal equilibrium chemical energy fluxes are demonstrated. The theory reveals that there are chemical energy flux gaps and broken discrete symmetries at the activation chemical potential, time, and displacement. The statistical, thermodynamic theory is the unification of diffusion and internal convection chemical reactions which reduces to the non-equilibrium generalization beyond the quasi-equilibrium theories of migration and diffusion processes. The relationship between kinetic theories of chemical and electrochemical reactions is also explored. The theory is applied to explore non-equilibrium chemical reactions as an illustration. Three variable separation constants indicate particle number constants and play key roles in describing the distinct chemical reaction mechanisms. The kinetics of chemical energy transfer accounts for the four control mechanisms of chemical reactions such as activation, concentration, transition, and film chemical reactions. - Highlights: • Chemical energy transfer theory is proposed for non-, quasi-, and equilibrium. • Gibbs energy fluxes are expressed by chemical potential, time, and displacement. • Relationship between chemical and electrochemical reactions is discussed. • Theory is applied to explore nonequilibrium energy transfer in chemical reactions. • Kinetics of non-equilibrium chemical reactions shows the four control mechanisms

  18. 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.

  19. 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.

  20. Subsurface temperatures and geothermal gradients on the north slope of Alaska

    Science.gov (United States)

    Collett, T.S.; Bird, K.J.; Magoon, L.B.

    1993-01-01

    On the North Slope of Alaska, geothermal gradient data are available from high-resolution, equilibrated well-bore surveys and from estimates based on well-log identification of the base of ice-bearing permafrost. A total of 46 North Slope wells, considered to be in or near thermal equilibrium, have been surveyed with high-resolution temperatures devices and geothermal gradients can be interpreted directly from these recorded temperature profiles. To augment the limited North Slope temperature data base, a new method of evaluating local geothermal gradients has been developed. In this method, a series of well-log picks for the base of the ice-bearing permafrost from 102 wells have been used, along with regional temperature constants derived from the high-resolution stabilized well-bore temperature surveys, to project geothermal gradients. Geothermal gradients calculated from the high-resolution temperature surveys generally agree with those projected from known ice-bearing permafrost depths over most of the North Slope. Values in the ice-bearing permafrost range from ??? 1.5??C 100 m in the Prudhoe Bay area to ??? 4.5??C 100 m in the east-central portion of the National Petroleum Reserve in Alaska. Geothermal gradients below the ice-bearing permafrost sequence range from ??? 1.6??C 100 m to ??? 5.2??C 100 m. ?? 1993.

  1. 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.

  2. An algorithm for gradient-based dynamic optimization of UV flash processes

    DEFF Research Database (Denmark)

    Ritschel, Tobias Kasper Skovborg; Capolei, Andrea; Gaspar, Jozsef

    2017-01-01

    This paper presents a novel single-shooting algorithm for gradient-based solution of optimal control problems with vapor-liquid equilibrium constraints. Such optimal control problems are important in several engineering applications, for instance in control of distillation columns, in certain two...... softwareaswellastheperformanceofdifferentcompilersinaLinuxoperatingsystem. Thesetestsindicatethatreal-timenonlinear model predictive control of UV flash processes is computationally feasible....

  3. An optimized target-field method for MRI transverse biplanar gradient coil design

    International Nuclear Information System (INIS)

    Zhang, Rui; Xu, Jing; Huang, Kefu; Zhang, Jue; Fang, Jing; Fu, Youyi; Li, Yangjing

    2011-01-01

    Gradient coils are essential components of magnetic resonance imaging (MRI) systems. In this paper, we present an optimized target-field method for designing a transverse biplanar gradient coil with high linearity, low inductance and small resistance, which can well satisfy the requirements of permanent-magnet MRI systems. In this new method, the current density is expressed by trigonometric basis functions with unknown coefficients in polar coordinates. Following the standard procedures, we construct an objective function with respect to the total square errors of the magnetic field at all target-field points with the penalty items associated with the stored magnetic energy and the dissipated power. By adjusting the two penalty factors and minimizing the objective function, the appropriate coefficients of the current density are determined. Applying the stream function method to the current density, the specific winding patterns on the planes can be obtained. A novel biplanar gradient coil has been designed using this method to operate in a permanent-magnet MRI system. In order to verify the validity of the proposed approach, the gradient magnetic field generated by the resulted current density has been calculated via the Biot–Savart law. The results have demonstrated the effectiveness and advantage of this proposed method

  4. Multiscale measures of equilibrium on finite dynamic systems

    International Nuclear Information System (INIS)

    Bigerelle, M.; Iost, A.

    2004-01-01

    This article presents a new method for the study of the evolution of dynamic systems based on the notion of quantity of information. The system is divided into elementary cells and the quantity of information is studied with respect to the cell size. We have introduced an analogy between quantity of information and entropy, and defined the intrinsic entropy as the entropy of the whole system independent of the size of the cells. It is shown that the intrinsic entropy follows a Gaussian probability density function (PDF) and thereafter, the time needed by the system to reach equilibrium is a random variable. For a finite system, statistical analyses show that this entropy converges to a state of equilibrium and an algorithmic method is proposed to quantify the time needed to reach equilibrium for a given confidence interval level. A Monte-Carlo simulation of diffusion of A* atoms in A is then provided to illustrate the proposed simulation. It follows that the time to reach equilibrium for a constant error probability, t e , depends on the number, n, of elementary cells as: t e ∝n 2.22 ±0.06 . For an infinite system size (n infinite), the intrinsic entropy obtained by statistical modelling is a pertinent characteristic number of the system at the equilibrium

  5. 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

  6. A numerical model for simulating electroosmotic micro- and nanochannel flows under non-Boltzmann equilibrium

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Kyoungjin; Kwak, Ho Sang [School of Mechanical Engineering, Kumoh National Institute of Technology, 1 Yangho, Gumi, Gyeongbuk 730-701 (Korea, Republic of); Song, Tae-Ho, E-mail: kimkj@kumoh.ac.kr, E-mail: hskwak@kumoh.ac.kr, E-mail: thsong@kaist.ac.kr [Department of Mechanical, Aerospace and Systems Engineering, Korea Advanced Institute of Science and Technology, 373-1 Guseong, Yuseong, Daejeon 305-701 (Korea, Republic of)

    2011-08-15

    This paper describes a numerical model for simulating electroosmotic flows (EOFs) under non-Boltzmann equilibrium in a micro- and nanochannel. The transport of ionic species is represented by employing the Nernst-Planck equation. Modeling issues related to numerical difficulties are discussed, which include the handling of boundary conditions based on surface charge density, the associated treatment of electric potential and the evasion of nonlinearity due to the electric body force. The EOF in the entrance region of a straight channel is examined. The numerical results show that the present model is useful for the prediction of the EOFs requiring a fine resolution of the electric double layer under either the Boltzmann equilibrium or non-equilibrium. Based on the numerical results, the correlation between the surface charge density and the zeta potential is investigated.

  7. Laser pulse propagation and enhanced energy coupling to fast electrons in dense plasma gradients

    International Nuclear Information System (INIS)

    Gray, R J; Carroll, D C; Yuan, X H; Brenner, C M; Coury, M; Quinn, M N; Tresca, O; McKenna, P; Burza, M; Wahlström, C-G; Lancaster, K L; Neely, D; Lin, X X; Li, Y T

    2014-01-01

    Laser energy absorption to fast electrons during the interaction of an ultra-intense (10 20 W cm −2 ), picosecond laser pulse with a solid is investigated, experimentally and numerically, as a function of the plasma density scale length at the irradiated surface. It is shown that there is an optimum density gradient for efficient energy coupling to electrons and that this arises due to strong self-focusing and channeling driving energy absorption over an extended length in the preformed plasma. At longer density gradients the laser filaments, resulting in significantly lower overall energy coupling. As the scale length is further increased, a transition to a second laser energy absorption process is observed experimentally via multiple diagnostics. The results demonstrate that it is possible to significantly enhance laser energy absorption and coupling to fast electrons by dynamically controlling the plasma density gradient. (paper)

  8. BGK-type models in strong reaction and kinetic chemical equilibrium regimes

    International Nuclear Information System (INIS)

    Monaco, R; Bianchi, M Pandolfi; Soares, A J

    2005-01-01

    A BGK-type procedure is applied to multi-component gases undergoing chemical reactions of bimolecular type. The relaxation process towards local Maxwellians, depending on mass and numerical densities of each species as well as common velocity and temperature, is investigated in two different cases with respect to chemical regimes. These cases are related to the strong reaction regime characterized by slow reactions, and to the kinetic chemical equilibrium regime where fast reactions take place. The consistency properties of both models are stated in detail. The trend to equilibrium is numerically tested and comparisons for the two regimes are performed within the hydrogen-air and carbon-oxygen reaction mechanism. In the spatial homogeneous case, it is also shown that the thermodynamical equilibrium of the models recovers satisfactorily the asymptotic equilibrium solutions to the reactive Euler equations

  9. Decay of non-equilibrium polariton condensate in semiconductors

    International Nuclear Information System (INIS)

    Beloussov, I.V.; Shvera, Y.M.

    1993-08-01

    Excitation dynamics of polariton quantum fluctuations arising in direct-gap semi-conductor as a result of parametric decay of non-equilibrium polariton condensate with non-zero wave vector is studied. The predominant mechanism of polariton scattering is supposed to be exciton-exciton interaction. Steady state which corresponds to the case of dynamic equilibrium between the polariton condensate and quantum fluctuations is obtained. Distribution functions of non-condensate polaritons are localized in the resonant regions, corresponding to two-particle excitation of polaritons from the condensate. The spectrum of elementary excitations in steady state coincides with usual polariton energy with the shift proportional to initial density of polariton condensate. (author). 25 refs

  10. Spin-Density Functionals from Current-Density Functional Theory and Vice Versa: A Road towards New Approximations

    International Nuclear Information System (INIS)

    Capelle, K.; Gross, E.

    1997-01-01

    It is shown that the exchange-correlation functional of spin-density functional theory is identical, on a certain set of densities, with the exchange-correlation functional of current-density functional theory. This rigorous connection is used to construct new approximations of the exchange-correlation functionals. These include a conceptually new generalized-gradient spin-density functional and a nonlocal current-density functional. copyright 1997 The American Physical Society

  11. Equilibrium moisture content of OSB panels made from Eucalyptus urophylla clones

    Directory of Open Access Journals (Sweden)

    Lourival Marin Mendes

    2014-12-01

    Full Text Available This work aimed to verify the efficiency of Nelson's equation to estimate equilibrium moisture content of this material and provide a model for determination of moisture content of panels based on air relative moisture content, as well as to evaluate the effect of some processing variables on the equilibrium moisture content of OSB (Oriented Strand Board panels. The 25 x 25 mm samples were put in an acclimation room where they were kept at 30ºC and had their mass determined after stabilization at the relative air moisture contents of 40, 50, 60, 70, 80 and 90%. By the results obtained it was possible to conclude that: Nelson's equation tended to underestimate moisture values of the panel; the polynomial model adjusted based on the relative moisture of the air presented great potential to be used; although different behavior may be observed for the isotherms of treatments, there was no significant effect of the variables panel density, wood basic density, mat type and pressure temperature on mean equilibrium moisture content in desorption 1, adsorption and desorption 2.

  12. Mathematical and numerical analysis of plasma stability

    International Nuclear Information System (INIS)

    Saramito, B.

    1987-11-01

    Equilibrium of a tokamak plasma is analyzed using two two-dimensional numerical models. Plasma configuration; convection in a cylindrical plasma layer; and tearing instabilities in a flat layer are considered. The finite element code used is explained. The existence of analogous stationary solutions for a problem concerning compressible fluids is shown. Stationary convection created by the equilibrium density gradient is treated. Approximation using fluid equations is employed in the case of convection resulting from the equilibrium temperature gradient. Evolution towards turbulence of incompressible fluid models is followed [fr

  13. Quantum corrections to the stress-energy tensor in thermodynamic equilibrium with acceleration

    Science.gov (United States)

    Becattini, F.; Grossi, E.

    2015-08-01

    We show that the stress-energy tensor has additional terms with respect to the ideal form in states of global thermodynamic equilibrium in flat spacetime with nonvanishing acceleration and vorticity. These corrections are of quantum origin and their leading terms are second order in the gradients of the thermodynamic fields. Their relevant coefficients can be expressed in terms of correlators of the stress-energy tensor operator and the generators of the Lorentz group. With respect to previous assessments, we find that there are more second-order coefficients and that all thermodynamic functions including energy density receive acceleration and vorticity dependent corrections. Notably, also the relation between ρ and p , that is, the equation of state, is affected by acceleration and vorticity. We have calculated the corrections for a free real scalar field—both massive and massless—and we have found that they increase, particularly for a massive field, at very high acceleration and vorticity and very low temperature. Finally, these nonideal terms depend on the explicit form of the stress-energy operator, implying that different stress-energy tensors of the scalar field—canonical or improved—are thermodynamically inequivalent.

  14. 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

  15. 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.

  16. Structures, electronic properties and magnetisms of FeBN (N ≤ 15) clusters: density functional theory investigations

    International Nuclear Information System (INIS)

    Liu Huoyan; Lel Xueling; Chen Hang; Liu Zhifeng; Liu Liren; Zhu Hengjiang

    2011-01-01

    The equilibrium structures, electronic properties and magnetisms of FeB N (N ≤ 15) clusters have been investigated by generalized gradient approximation (GGA) of density functional theory at different spin multiplicities. The average atomic binding energies, second-order energy differences and gaps of ground-state structures are calculated and discussed. The results show that FeB 3 , FeB 8 , FeB 12 and FeB 14 possess relatively higher stabilities. Moreover, there is a distinct hybridization between the d orbital of Fe and the p orbital of B for the ground-state cluster. The total magnetic moment for groundstate cluster is mainly provided by 3 d orbital of Fe atom, and exhibits the odd-even oscillation tendency with the increasing of cluster size. (authors)

  17. Pulse-density modulation control of chemical oscillation far from equilibrium in a droplet open-reactor system

    OpenAIRE

    Sugiura, Haruka; Ito, Manami; Okuaki, Tomoya; Mori, Yoshihito; Kitahata, Hiroyuki; Takinoue, Masahiro

    2016-01-01

    The design, construction and control of artificial self-organized systems modelled on dynamical behaviours of living systems are important issues in biologically inspired engineering. Such systems are usually based on complex reaction dynamics far from equilibrium; therefore, the control of non-equilibrium conditions is required. Here we report a droplet open-reactor system, based on droplet fusion and fission, that achieves dynamical control over chemical fluxes into/out of the reactor for c...

  18. 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.

  19. 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.

  20. Elemental transport coefficients in viscous plasma flows near local thermodynamic equilibrium

    International Nuclear Information System (INIS)

    Orsini, Alessio; Kustova, Elena V.

    2009-01-01

    We propose a convenient formulation of elemental transport coefficients in chemically reacting and plasma flows locally approaching thermodynamic equilibrium. A set of transport coefficients for elemental diffusion velocities, heat flux, and electric current is introduced. These coefficients relate the transport fluxes with the electric field and with the spatial gradients of elemental fractions, pressure, and temperature. The proposed formalism based on chemical elements and fully symmetric with the classical transport theory based on chemical species, is particularly suitable to model mixing and demixing phenomena due to diffusion of chemical elements. The aim of this work is threefold: to define a simple and rigorous framework suitable for numerical implementation, to allow order of magnitude estimations and qualitative predictions of elemental transport phenomena, and to gain a deeper insight into the physics of chemically reacting flows near local equilibrium.

  1. Plate Tectonics as a Far-From-Equilibrium Self-Organized Dissipative System

    Science.gov (United States)

    Anderson, D. L.

    2001-12-01

    A fluid above the critical Rayleigh number is far from equilibrium and spontaneously organizes itself into patterns involving the collective motion of large numbers of molecules which are resisted by the viscosity of the fluid. No external template is involved in forming the pattern. In 1928 Pearson showed that Bénard's experiments were driven by variations in surface tension at the top of the fluid and the surface motions drove convection in the fluid. In this case, the surface organized itself AND the underlying fluid. Both internal buoyancy driven flow and flow driven by surface forces can be far-from-equilibrium self-organized open systems that receive energy and matter from the environment. In the Earth, the cold thermal boundary layer at the surface drives plate tectonics and introduces temperature, shear and pressure gradients into the mantle that drive mantle convection. The mantle provides energy and material but may not provide the template. Plate tectonics is therefore a candidate for a far-from-equilibrium dissipative self-organizing system. Alternatively, one could view mantle convection as the self-organized system and the plates as simply the surface manifestation. Lithospheric architecture also imposes lateral temperature gradients onto the mantle which can drive and organize flow. Far-from-equilibrium self-organization requires; an open system, interacting parts, nonlinearities or feedbacks, an outside steady source of energy or matter, multiple possible states and a source of dissipation. In uniform fluids viscosity is the source of dissipation. Sources of dissipation in the plate system include bending, breaking, folding, shearing, tearing, collision and basal drag. These can change rapidly, in contrast to plate driving forces, and introduce the sort of fluctuations that can reorganize far-from-equilibrium systems. Global plate reorganizations can alternatively be thought of as convective overturns of the mantle, or thermal weakening of plates

  2. Equilibrium and non-equilibrium phenomena in arcs and torches

    NARCIS (Netherlands)

    Mullen, van der J.J.A.M.

    2000-01-01

    A general treatment of non-equilibrium plasma aspects is obtained by relating transport fluxes to equilibrium restoring processes in so-called disturbed Bilateral Relations. The (non) equilibrium stage of a small microwave induced plasma serves as case study.

  3. Analysis of physical mechanisms underlying density-dependent transport in porous media

    NARCIS (Netherlands)

    Landman, A.J.

    2005-01-01

    In this thesis, the interaction between (large) density gradients and flow and transport in porous media is studied. Large gradients in the density of groundwater exist for example near deep salt rock formations, which are considered as possible long-term storage sites for radioactive waste.

  4. A non-equilibrium thermodynamics model of reconstituted Ca(2+)-ATPase.

    Science.gov (United States)

    Waldeck, A R; van Dam, K; Berden, J; Kuchel, P W

    1998-01-01

    A non-equilibrium thermodynamics (NET) model describing the action of completely coupled or 'slipping' reconstituted Ca(2+)-ATPase is presented. Variation of the coupling stoichiometries with the magnitude of the electrochemical gradients, as the ATPase hydrolyzes ATP, is an indication of molecular slip. However, the Ca2+ and H+ membrane-leak conductances may also be a function of their respective gradients. Such non-ohmic leak typically yields 'flow-force' relationships that are similar to those that are obtained when the pump slips; hence, caution needs to be exercised when interpreting data of Ca(2+)-ATPase-mediated fluxes that display a non-linear dependence on the electrochemical proton (delta mu H) and/or calcium gradients (delta mu Ca). To address this issue, three experimentally verifiable relationships differentiating between membrane leak and enzymic slip were derived. First, by measuring delta mu H as a function of the rate of ATP hydrolysis by the enzyme. Second, by measuring the overall 'efficiency' of the pump as a function of delta mu H. Third, by measuring the proton ejection rate by the pump as a function of its ATP hydrolysis rate.

  5. 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

  6. Groundwater flux estimation in streams: A thermal equilibrium approach

    Science.gov (United States)

    Zhou, Yan; Fox, Garey A.; Miller, Ron B.; Mollenhauer, Robert; Brewer, Shannon

    2018-06-01

    Stream and groundwater interactions play an essential role in regulating flow, temperature, and water quality for stream ecosystems. Temperature gradients have been used to quantify vertical water movement in the streambed since the 1960s, but advancements in thermal methods are still possible. Seepage runs are a method commonly used to quantify exchange rates through a series of streamflow measurements but can be labor and time intensive. The objective of this study was to develop and evaluate a thermal equilibrium method as a technique for quantifying groundwater flux using monitored stream water temperature at a single point and readily available hydrological and atmospheric data. Our primary assumption was that stream water temperature at the monitored point was at thermal equilibrium with the combination of all heat transfer processes, including mixing with groundwater. By expanding the monitored stream point into a hypothetical, horizontal one-dimensional thermal modeling domain, we were able to simulate the thermal equilibrium achieved with known atmospheric variables at the point and quantify unknown groundwater flux by calibrating the model to the resulting temperature signature. Stream water temperatures were monitored at single points at nine streams in the Ozark Highland ecoregion and five reaches of the Kiamichi River to estimate groundwater fluxes using the thermal equilibrium method. When validated by comparison with seepage runs performed at the same time and reach, estimates from the two methods agreed with each other with an R2 of 0.94, a root mean squared error (RMSE) of 0.08 (m/d) and a Nash-Sutcliffe efficiency (NSE) of 0.93. In conclusion, the thermal equilibrium method was a suitable technique for quantifying groundwater flux with minimal cost and simple field installation given that suitable atmospheric and hydrological data were readily available.

  7. 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

  8. A corrected NEGF + DFT approach for calculating electronic transport through molecular devices: Filling bound states and patching the non-equilibrium integration

    International Nuclear Information System (INIS)

    Li Rui; Zhang Jiaxing; Hou Shimin; Qian Zekan; Shen Ziyong; Zhao Xingyu; Xue Zengquan

    2007-01-01

    We discuss two problems in the conventional approach for studying charge transport in molecular electronic devices that is based on the non-equilibrium Green's function formalism and density functional theory, i.e., the bound states and the numerical integration of the non-equilibrium density matrix. A scheme of filling the bound states in the bias window and a method of patching the non-equilibrium integration are proposed, both of which are referred to as the non-equilibrium correction. The discussion is illustrated by means of calculations on a model system consisting of a 4,4 bipyridine molecule connected to two semi-infinite gold monatomic chains

  9. On the formulation of higher gradient single and polycrystal plasticity

    International Nuclear Information System (INIS)

    Menzel, A.; Steinmann, P.

    1998-01-01

    This contribution aims in a geometrically linear formulation of higher gradient plasticity of single and polycrystalline material based on the continuum theory of dislocations and incompatibilities. Thereby, general continuum dislocation densities and incompatibilities are introduced from the viewpoint of continuum mechanics by considering the spatial closure failure of arbitrary line integrals of the displacement differential. Then these findings are translated to the plastic parts of the displacement gradient, the so called plastic distortion, and the plastic strain, respectively, within an elasto-plastic solid thus defining tensor fields of plastic dislocation densities and plastic incompatibilities. Next, in the case of single crystalline material the plastic dislocation density and in the case of polycrystalline material the plastic incompatibility are considered within the exploitation of the thermodynamical principle of positive dissipation. As a result, a phenomenological but physically motivated description of hardening is obtained, which incorporates for single crystals second spatial derivatives of the plastic deformation gradient and for polycrystals fourth spatial derivatives of the plastic strains into the yield condition. Moreover, these modifications mimic the characteristic structure of kinematic hardening, whereby the backstress obeys a nonlocal evolution law. (orig.)

  10. 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

  11. In vivo characteristics of IBZM in rat brains, an agent for quantitative SPECT imaging of D2 dopamine receptors. A basis for semiquantitative measurement of the receptor density using equilibrium analysis

    International Nuclear Information System (INIS)

    Toyama, Hiroshi; Maeda, Hisato; Takeuchi, Akira; Koga, Sukehiko; Matsumura, Kaname; Nakashima, Hiromichi; Ichise, Masanori; Kurami, Miki; Nakagawa, Tsuyoshi.

    1994-01-01

    To establish a basis for semiquantitative SPECT measurements of the D 2 dopamine receptor density using equilibrium analysis, we evaluated in vivo kinetic properties of 125 I-IBZM in rat brains. We measured percent uptakes (% dose/g) of 125 I-IBZM in the striatum, frontal cortex, and cerebellum. We made these regional measurements at 15, 30, 45, 60, 90, and 120 minutes after injection, respectively. The specific striatal uptake, which is the uptake difference between striatum and frontal cortex or cerebellum, showed a transient equilibrium phase at 60 min. Theoretically, with these 'reversible' D 2 receptor binding ligands, the tracer-uptake ratio of the striatum-to-frontal cortex or cerebellum during the equilibrium phase provides an estimate of binding potential (Bound/Free=B max /K d ). Our experiment showed that these ratio increased with time after bolus injection of the tracer. Striatum to frontal cortex or cerebellum ratios which were calculated with pooled data (n=12) at 60 minutes in equilibrium phase showed nearly constant values (C.V.=12.3% and 13.5%, respectively). Although measuring the striatum to frontal cortex or cerebellum ratios near equilibrium phase by bolus injection of the tracer which are widely used in human SPECT study could not exactly signify the binding potential, those ratios at fixed time after injection would be reliable for semiquantitative index. (author)

  12. Dynamic crushing of uniform and density graded cellular structures based on the circle arc model

    Directory of Open Access Journals (Sweden)

    Jianjun Zhang

    Full Text Available AbstractA new circle-arc model was established to present the cellular structure. Dynamic response of models with density gradients under constant velocities is investigated by employing Ls-dyna 971. Compared with the uniform models, the quasi-static plateau stress of different layers seems a significant parameter correlated with the deformation mode except for inertia effect when the density gradient is introduced. The impact velocity becomes much more vital on the deformation of the unit cell than the density gradient. The stress at both the impact and stationary sides is investigated in details. Furthermore, the stress-strain curve is compared with the modified shock wave theory. The density gradient does have some remarkable influence on the energy absorption capability, and a certain density gradient is not always beneficial to the energy absorption. Irrespective of the impact velocity, there seems always a critical strain where the energy absorbed by all these specimens could approximate to nearly the same value. So the critical strain-velocity curve is plotted and gives the beneficial area for energy absorption pertinent to density gradients and impact velocity.

  13. Problem-Based Test: Replication of Mitochondrial DNA during the Cell Cycle

    Science.gov (United States)

    Setalo, Gyorgy, Jr.

    2013-01-01

    Terms to be familiar with before you start to solve the test: cell cycle, generation time, S-phase, cell culture synchronization, isotopic pulse-chase labeling, density labeling, equilibrium density-gradient centrifugation, buoyant density, rate-zonal centrifugation, nucleoside, nucleotide, kinase enzymes, polymerization of nucleic acids,…

  14. Application of linear pH gradients for the modeling of ion exchange chromatography: Separation of monoclonal antibody monomer from aggregates.

    Science.gov (United States)

    Kluters, Simon; Wittkopp, Felix; Jöhnck, Matthias; Frech, Christian

    2016-02-01

    The mobile phase pH is a key parameter of every ion exchange chromatography process. However, mechanistic insights into the pH influence on the ion exchange chromatography equilibrium are rare. This work describes a mechanistic model capturing salt and pH influence in ion exchange chromatography. The pH dependence of the characteristic protein charge and the equilibrium constant is introduced to the steric mass action model based on a protein net charge model considering the number of amino acids interacting with the stationary phase. This allows the description of the adsorption equilibrium of the chromatographed proteins as a function of pH. The model parameters were determined for a monoclonal antibody monomer, dimer, and a higher aggregated species based on a manageable set of pH gradient experiments. Without further modification of the model parameters the transfer to salt gradient elution at fixed pH is demonstrated. A lumped rate model was used to predict the separation of the monoclonal antibody monomer/aggregate mixture in pH gradient elution and for a pH step elution procedure-also at increased protein loadings up to 48 g/L packed resin. The presented model combines both salt and pH influence and may be useful for the development and deeper understanding of an ion exchange chromatography separation. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. 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.

  16. 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.

  17. Orbital-optimized coupled-electron pair theory and its analytic gradients: Accurate equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions

    Science.gov (United States)

    Bozkaya, Uǧur; Sherrill, C. David

    2013-08-01

    Orbital-optimized coupled-electron pair theory [or simply "optimized CEPA(0)," OCEPA(0), for short] and its analytic energy gradients are presented. For variational optimization of the molecular orbitals for the OCEPA(0) method, a Lagrangian-based approach is used along with an orbital direct inversion of the iterative subspace algorithm. The cost of the method is comparable to that of CCSD [O(N6) scaling] for energy computations. However, for analytic gradient computations the OCEPA(0) method is only half as expensive as CCSD since there is no need to solve the λ2-amplitude equation for OCEPA(0). The performance of the OCEPA(0) method is compared with that of the canonical MP2, CEPA(0), CCSD, and CCSD(T) methods, for equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions between radicals. For bond lengths of both closed and open-shell molecules, the OCEPA(0) method improves upon CEPA(0) and CCSD by 25%-43% and 38%-53%, respectively, with Dunning's cc-pCVQZ basis set. Especially for the open-shell test set, the performance of OCEPA(0) is comparable with that of CCSD(T) (ΔR is 0.0003 Å on average). For harmonic vibrational frequencies of closed-shell molecules, the OCEPA(0) method again outperforms CEPA(0) and CCSD by 33%-79% and 53%-79%, respectively. For harmonic vibrational frequencies of open-shell molecules, the mean absolute error (MAE) of the OCEPA(0) method (39 cm-1) is fortuitously even better than that of CCSD(T) (50 cm-1), while the MAEs of CEPA(0) (184 cm-1) and CCSD (84 cm-1) are considerably higher. For complete basis set estimates of hydrogen transfer reaction energies, the OCEPA(0) method again exhibits a substantially better performance than CEPA(0), providing a mean absolute error of 0.7 kcal mol-1, which is more than 6 times lower than that of CEPA(0) (4.6 kcal mol-1), and comparing to MP2 (7.7 kcal mol-1) there is a more than 10-fold reduction in errors. Whereas the MAE for the CCSD method is only 0.1 kcal

  18. Hepatic sinusoid is not well-stirred: estimation of the degree of axial mixing by analysis of lobular concentration gradients formed during uptake of thyroxine by the perfused rat liver

    International Nuclear Information System (INIS)

    Weisiger, R.A.; Mendel, C.M.; Cavalieri, R.R.

    1986-01-01

    Two general models have been proposed for predicting the effects of metabolism, protein binding, and plasma flow on the removal of drugs by the liver. These models differ in the degree of plasma mixing assumed to exist within each hepatic sinusoid. The venous equilibrium model treats the sinusoid as a single well-stirred compartment, whereas the sinusoidal model effectively breaks up the sinusoid into a large number of sequentially perfused compartments which do not exchange their contents except through plasma flow. As a consequence, the sinusoidal model, but not the venous equilibrium model, predicts that the concentration of highly extracted drugs will decline as the plasma flows through the hepatic lobule. To determine which of these alternative models best describes the hepatic uptake process, we looked for evidence that concentration gradients are formed during the uptake of [ 125 I]thyroxine by the perfused rat liver. Autoradiography of tissue slices after perfusion of the portal vein at physiologic flow rates with protein-free buffer containing [ 125 I]thyroxine demonstrated a rapid exponential fall in grain density with distance from the portal venule, declining by half for each 8% of the mean length of the sinusoid. Reversing the direction of perfusate flow reversed the direction of the autoradiographic gradients, indicating that they primarily reflect differences in the concentration of thyroxine within the hepatic sinusoids rather than differences in the uptake capacity of portal and central hepatocytes. Analysis of the data using models in which each sinusoid was represented by different numbers of sequentially perfused compartments (1-20) indicated that at least eight compartments were necessary to account for the magnitude of the gradients seen

  19. THE ABUNDANCE OF MOLECULAR HYDROGEN AND ITS CORRELATION WITH MIDPLANE PRESSURE IN GALAXIES: NON-EQUILIBRIUM, TURBULENT, CHEMICAL MODELS

    International Nuclear Information System (INIS)

    Mac Low, Mordecai-Mark; Glover, Simon C. O.

    2012-01-01

    Observations of spiral galaxies show a strong linear correlation between the ratio of molecular to atomic hydrogen surface density R mol and midplane pressure. To explain this, we simulate three-dimensional, magnetized turbulence, including simplified treatments of non-equilibrium chemistry and the propagation of dissociating radiation, to follow the formation of H 2 from cold atomic gas. The formation timescale for H 2 is sufficiently long that equilibrium is not reached within the 20-30 Myr lifetimes of molecular clouds. The equilibrium balance between radiative dissociation and H 2 formation on dust grains fails to predict the time-dependent molecular fractions we find. A simple, time-dependent model of H 2 formation can reproduce the gross behavior, although turbulent density perturbations increase molecular fractions by a factor of few above it. In contradiction to equilibrium models, radiative dissociation of molecules plays little role in our model for diffuse radiation fields with strengths less than 10 times that of the solar neighborhood, because of the effective self-shielding of H 2 . The observed correlation of R mol with pressure corresponds to a correlation with local gas density if the effective temperature in the cold neutral medium of galactic disks is roughly constant. We indeed find such a correlation of R mol with density. If we examine the value of R mol in our local models after a free-fall time at their average density, as expected for models of molecular cloud formation by large-scale gravitational instability, our models reproduce the observed correlation over more than an order-of-magnitude range in density.

  20. The Abundance of Molecular Hydrogen and Its Correlation with Midplane Pressure in Galaxies: Non-equilibrium, Turbulent, Chemical Models

    Science.gov (United States)

    Mac Low, Mordecai-Mark; Glover, Simon C. O.

    2012-02-01

    Observations of spiral galaxies show a strong linear correlation between the ratio of molecular to atomic hydrogen surface density R mol and midplane pressure. To explain this, we simulate three-dimensional, magnetized turbulence, including simplified treatments of non-equilibrium chemistry and the propagation of dissociating radiation, to follow the formation of H2 from cold atomic gas. The formation timescale for H2 is sufficiently long that equilibrium is not reached within the 20-30 Myr lifetimes of molecular clouds. The equilibrium balance between radiative dissociation and H2 formation on dust grains fails to predict the time-dependent molecular fractions we find. A simple, time-dependent model of H2 formation can reproduce the gross behavior, although turbulent density perturbations increase molecular fractions by a factor of few above it. In contradiction to equilibrium models, radiative dissociation of molecules plays little role in our model for diffuse radiation fields with strengths less than 10 times that of the solar neighborhood, because of the effective self-shielding of H2. The observed correlation of R mol with pressure corresponds to a correlation with local gas density if the effective temperature in the cold neutral medium of galactic disks is roughly constant. We indeed find such a correlation of R mol with density. If we examine the value of R mol in our local models after a free-fall time at their average density, as expected for models of molecular cloud formation by large-scale gravitational instability, our models reproduce the observed correlation over more than an order-of-magnitude range in density.

  1. 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

  2. Concentration gradient driven molecular dynamics: a new method for simulations of membrane permeation and separation.

    Science.gov (United States)

    Ozcan, Aydin; Perego, Claudio; Salvalaglio, Matteo; Parrinello, Michele; Yazaydin, Ozgur

    2017-05-01

    In this study, we introduce a new non-equilibrium molecular dynamics simulation method to perform simulations of concentration driven membrane permeation processes. The methodology is based on the application of a non-conservative bias force controlling the concentration of species at the inlet and outlet of a membrane. We demonstrate our method for pure methane, ethane and ethylene permeation and for ethane/ethylene separation through a flexible ZIF-8 membrane. Results show that a stationary concentration gradient is maintained across the membrane, realistically simulating an out-of-equilibrium diffusive process, and the computed permeabilities and selectivity are in good agreement with experimental results.

  3. Large-scale density structures in the outer heliosphere

    Science.gov (United States)

    Belcher, J. W.; Lazarus, A. J.; Mcnutt, R. L., Jr.; Gordon, G. S., Jr.

    1993-01-01

    The Plasma Science experiment on the Voyager 2 spacecraft has measured the solar wind density from 1 to 38 AU. Over this distance, the solar wind density decreases as the inverse square of the heliocentric distance. However, there are large variations in this density at a given radius. Such changes in density are the dominant cause of changes in the solar wind ram pressure in the outer heliosphere and can cause large perturbations in the location of the termination shock of the solar wind. Following a simple model suggested by Suess, we study the non-equilibrium, dynamic location of the termination shock as it responds to these pressure changes. The results of this study suggest that the termination shock is rarely if ever at its equilibrium distance and may depart from that distance by as much as 50 AU at times.

  4. Equilibrium state analysis of a nonneutral plasma under a uniform magnetic field

    International Nuclear Information System (INIS)

    Fernandez, J.E.; Molinari, V.G.; Sumini, M.A.

    1990-01-01

    By recourse to the Boltzmann H-theorem, the existence of a thermodynamic equilibrium state has been proved for a nonneutral plasma under an external magnetic field. The equation describing the density profile of ions or electrons has been found. The density equation has been numerically solved for a generic magnetic field and plasma frequency, giving a parametric limit for the confinement region. An appropriate change of variable allows to approximate the density equation whose analytical solution has been found. The approximated density closely fits the numerical solution of the original equation. (Author)

  5. Laminar or turbulent boundary-layer flows of perfect gases or reacting gas mixtures in chemical equilibrium

    Science.gov (United States)

    Anderson, E. C.; Lewis, C. H.

    1971-01-01

    Turbulent boundary layer flows of non-reacting gases are predicted for both interal (nozzle) and external flows. Effects of favorable pressure gradients on two eddy viscosity models were studied in rocket and hypervelocity wind tunnel flows. Nozzle flows of equilibrium air with stagnation temperatures up to 10,000 K were computed. Predictions of equilibrium nitrogen flows through hypervelocity nozzles were compared with experimental data. A slender spherically blunted cone was studied at 70,000 ft altitude and 19,000 ft/sec. in the earth's atmosphere. Comparisons with available experimental data showed good agreement. A computer program was developed and fully documented during this investigation for use by interested individuals.

  6. Out-of-equilibrium dynamics of repulsive Fermi gases in quasiperiodic potentials: A density functional theory study

    Science.gov (United States)

    Ancilotto, Francesco; Rossini, Davide; Pilati, Sebastiano

    2018-04-01

    The dynamics of a one-dimensional two-component Fermi gas in the presence of a quasiperiodic optical lattice (OL) is investigated by means of a density functional theory approach. Inspired by the protocol implemented in recent cold-atom experiments—designed to identify the many-body localization transition—we analyze the relaxation of an initially prepared imbalance between the occupation number of odd and of even sites. For quasidisorder strength beyond the Anderson localization transition, the imbalance survives for long times, indicating the inability of the system to reach local equilibrium. The late-time value of the imbalance diminishes for increasing interaction strength. Close to the critical quasidisorder strength corresponding to the noninteracting (Anderson) transition, the interacting system displays an extremely slow relaxation dynamics, consistent with subdiffusive behavior. The amplitude of the imbalance fluctuations around its running average is found to decrease with time, and such damping is more effective with increasing interaction strengths. While our study addresses the setup with two equally intense OLs, very similar effects due to interactions have been observed also in recent cold-atom experiments performed in the tight-binding regime, i.e., where one of the two OLs is very deep and the other is much weaker.

  7. Mapping land cover gradients through analysis of hyper-temporal NDVI imagery

    NARCIS (Netherlands)

    Ali, A.; de Bie, C.A.J.M.; Skidmore, A.K.; Scarrott, R.G.; Hamad, A.A.; Venus, V.; Lymberakis, P.

    2013-01-01

    The green cover of the earth exhibits various spatial gradients that represent gradual changes in space of vegetation density and/or in species composition. To date, land cover mapping methods differentiate at best, mapping units with different cover densities and/or species compositions, but

  8. Non-equilibrium reaction rates in chemical kinetic equations

    Science.gov (United States)

    Gorbachev, Yuriy

    2018-05-01

    Within the recently proposed asymptotic method for solving the Boltzmann equation for chemically reacting gas mixture, the chemical kinetic equations has been derived. Corresponding one-temperature non-equilibrium reaction rates are expressed in terms of specific heat capacities of the species participate in the chemical reactions, bracket integrals connected with the internal energy transfer in inelastic non-reactive collisions and energy transfer coefficients. Reactions of dissociation/recombination of homonuclear and heteronuclear diatomic molecules are considered. It is shown that all reaction rates are the complex functions of the species densities, similarly to the unimolecular reaction rates. For determining the rate coefficients it is recommended to tabulate corresponding bracket integrals, additionally to the equilibrium rate constants. Correlation of the obtained results with the irreversible thermodynamics is established.

  9. A study on improving the performance of a research reactor's equilibrium core

    Directory of Open Access Journals (Sweden)

    Muhammad Atta

    2013-01-01

    Full Text Available Utilizing low enriched uranium silicide fuel (U3Si2-Al of existing uranium density (3.285 g/cm3, different core configurations have been studied in search of an equilibrium core with an improved performance for the Pakistan Research Reactor-1. Furthermore, we have extended our analysis to the performance of higher density silicide fuels with a uranium density of 4.0 and 4.8 U g/cm3. The criterion used in selecting the best performing core was that of “unit flux time cycle length per 235U mass per cycle”. In order to analyze core performance by improving neutron moderation, utilizing higher-density fuel, the effect of the coolant channel width was also studied by reducing the number of plates in the standard/control fuel element. Calculations employing computer codes WIMSD/4 and CITATION were performed. A ten energy group structure for fission neutrons was used for the generation of microscopic cross-sections through WIMSD/4. To search the equilibrium core, two-dimensional core modelling was performed in CITATION. Performance indicators have shown that the higher-density uranium silicide-fuelled core (U density 4.8 g/cm3 without any changes in standard/control fuel elements, comprising of 15 standard and 4 control fuel elements, is the best performing of all analyzed cores.

  10. Evaluation of differences between dual salt-pH gradient elution and mono gradient elution using a thermodynamic model: Simultaneous separation of six monoclonal antibody charge and size variants on preparative-scale ion exchange chromatographic resin.

    Science.gov (United States)

    Lee, Yi Feng; Jöhnck, Matthias; Frech, Christian

    2018-02-21

    The efficiencies of mono gradient elution and dual salt-pH gradient elution for separation of six mAb charge and size variants on a preparative-scale ion exchange chromatographic resin are compared in this study. Results showed that opposite dual salt-pH gradient elution with increasing pH gradient and simultaneously decreasing salt gradient is best suited for the separation of these mAb charge and size variants on Eshmuno ® CPX. Besides giving high binding capacity, this type of opposite dual salt-pH gradient also provides better resolved mAb variant peaks and lower conductivity in the elution pools compared to single pH or salt gradients. To have a mechanistic understanding of the differences in mAb variants retention behaviors of mono pH gradient, parallel dual salt-pH gradient, and opposite dual salt-pH gradient, a linear gradient elution model was used. After determining the model parameters using the linear gradient elution model, 2D plots were used to show the pH and salt dependencies of the reciprocals of distribution coefficient, equilibrium constant, and effective ionic capacity of the mAb variants in these gradient elution systems. Comparison of the 2D plots indicated that the advantage of opposite dual salt-pH gradient system with increasing pH gradient and simultaneously decreasing salt gradient is the noncontinuous increased acceleration of protein migration. Furthermore, the fitted model parameters can be used for the prediction and optimization of mAb variants separation in dual salt-pH gradient and step elution. © 2018 American Institute of Chemical Engineers Biotechnol. Prog., 2018. © 2018 American Institute of Chemical Engineers.

  11. The Adjoint Method for Gradient-based Dynamic Optimization of UV Flash Processes

    DEFF Research Database (Denmark)

    Ritschel, Tobias Kasper Skovborg; Capolei, Andrea; Jørgensen, John Bagterp

    2017-01-01

    This paper presents a novel single-shooting algorithm for gradient-based solution of optimal control problems with vapor-liquid equilibrium constraints. Dynamic optimization of UV flash processes is relevant in nonlinear model predictive control of distillation columns, certain two-phase flow pro......-component flash process which demonstrate the importance of the optimization solver, the compiler, and the linear algebra software for the efficiency of dynamic optimization of UV flash processes....

  12. Studies of nuclear second moments for pre-equilibrium nuclear reaction theories

    International Nuclear Information System (INIS)

    Sato, K.; Yoshida, S.

    1987-01-01

    The nuclear second moments, important inputs to pre-equilibrium reaction theories, are evaluated by assuming a simple model. The positive definite nature of the second moments is examined, and the nuclear level densities are calculated using positive definite second moments. (orig.)

  13. Active Brownian particles at interfaces: An effective equilibrium approach

    Science.gov (United States)

    Wittmann, René; Brader, Joseph M.

    2016-06-01

    A simple theoretical approach is used to investigate active colloids at the free interface and near repulsive substrates. We employ dynamical density functional theory to determine the steady-state density profiles in an effective equilibrium system (Farage T. F. F. et al., Phys. Rev. E, 91 (2015) 042310). In addition to the known accumulation at surfaces, we predict wetting and drying transitions at a flat repulsive wall and capillary condensation and evaporation in a slit pore. These new phenomena are closely related to the motility-induced phase separation (MIPS) in the bulk.

  14. Proceedings of RIKEN BNL research center workshop, equilibrium and non-equilibrium aspects of hot, dense QCD, Vol. 28

    International Nuclear Information System (INIS)

    De Vega, H.J.; Boyanovsky, D.

    2000-01-01

    The Relativistic Heavy Ion Collider (RHIC) at Brookhaven, beginning operation this year, and the Large Hadron Collider (LHC) at CERN, beginning operation ∼2005, will provide an unprecedented range of energies and luminosities that will allow us to probe the Gluon-Quark plasma. At RHIC and LHC, at central rapidity typical estimates of energy densities and temperatures are e * 1-10 GeV/fm3 and T0 * 300 - 900 MeV. Such energies are well above current estimates for the GQ plasma. Initially, this hot, dense plasma is far from local thermal equilibrium, making the theoretical study of transport phenomena, kinetic and chemical equilibration in dense and hot plasmas, and related issues a matter of fundamental importance. During the last few years a consistent framework to study collective effects in the Gluon-Quark plasma, and a microscopic description of transport in terms of the hard thermal (and dense) loops resummation program has emerged. This approach has the potential of providing a microscopic formulation of transport, in the regime of temperatures and densities to be achieved at RHIC and LHC. A parallel development over the last few years has provided a consistent formulation of non-equilibrium quantum field theory that provides a real-time description of phenomena out of equilibrium. Novel techniques including non-perturbative approaches and the dynamical renormalization group techniques lead to new insights into transport and relaxation. A deeper understanding of collective.excitations and transport phenomena in the GQ plasma could lead to recognize novel potential experimental signatures. New insights into small-c physics reveals a striking similarity between small-c and hard thermal loops, and novel real-time numerical simulations have recently studied the parton distributions and their thermalizations in the initial stages of a heavy ion collision

  15. Warm-fluid description of intense beam equilibrium and electrostatic stability properties

    International Nuclear Information System (INIS)

    Lund, S.M.; Davidson, R.C.

    1998-01-01

    A nonrelativistic warm-fluid model is employed in the electrostatic approximation to investigate the equilibrium and stability properties of an unbunched, continuously focused intense ion beam. A closed macroscopic model is obtained by truncating the hierarchy of moment equations by the assumption of negligible heat flow. Equations describing self-consistent fluid equilibria are derived and elucidated with examples corresponding to thermal equilibrium, the Kapchinskij endash Vladimirskij (KV) equilibrium, and the waterbag equilibrium. Linearized fluid equations are derived that describe the evolution of small-amplitude perturbations about an arbitrary equilibrium. Electrostatic stability properties are analyzed in detail for a cold beam with step-function density profile, and then for axisymmetric flute perturbations with ∂/∂θ=0 and ∂/∂z=0 about a warm-fluid KV beam equilibrium. The radial eigenfunction describing axisymmetric flute perturbations about the KV equilibrium is found to be identical to the eigenfunction derived in a full kinetic treatment. However, in contrast to the kinetic treatment, the warm-fluid model predicts stable oscillations. None of the instabilities that are present in a kinetic description are obtained in the fluid model. A careful comparison of the mode oscillation frequencies associated with the fluid and kinetic models is made in order to delineate which stability features of a KV beam are model-dependent and which may have general applicability. copyright 1998 American Institute of Physics

  16. LES of the adverse-pressure gradient turbulent boundary layer

    International Nuclear Information System (INIS)

    Inoue, M.; Pullin, D.I.; Harun, Z.; Marusic, I.

    2013-01-01

    -pressure gradient flows. It is concluded that the present adverse pressure gradient boundary layers are far from an equilibrium state

  17. GRADIENTES TÉRMICOS NATURAIS NA ESTIMATIVA DO FLUXO DE SEIVA PELO MÉTODO GRANIER

    Directory of Open Access Journals (Sweden)

    LUCAS MELO VELLAME

    2011-01-01

    Full Text Available The effects of thermal gradients on stem add one methodological constraint for estimating sap flow through the Granier method (thermal dissipation probe. The present work studied the effect of natural thermal gradients on estimates of sap flow by using thermal dissipation probe in mango plants. The study was carried by using mango plants of the cultivar Tommy Atkins during two development stages: (a during the initial development phase of plants with leaf area of 0.66, 0.73, 1.78 m2 , planted in 15 and 50 liters pots. The study was carried in a greenhouse environment and in the field. Different thermal shields were used around the stem of plants in pots in order to minimize the effects of thermal natural gradients. The measurements of thermal differences were obtained from an adult plant with high leaf density and small exposition of branches to solar radiation. Sensors placed in stems of adult plant with high leaf density provided smaller thermal gradients compared to those inserted in young plant stems. It is necessary to cover the whole branch with neoprene and a shield (skirt type of aluminum paper above and below the location of probe insertion for exposed branches. The air temperature at 2 m height may be used efficiently to correct thermal gradients. It is indispensable the correction of natural thermal gradients in the stem for adequate estimating sap flow density by the Granier method.

  18. Solar influence on meteor rates and atmospheric density variations at meteor heights

    International Nuclear Information System (INIS)

    Ellyett, C.

    1977-01-01

    A full analysis of radar-determined meteor rates from New Zealand, involving 3,085,574 meteors recorded over a total of 3 1/2 years, and 12,391,976 meteors recorded by the National Research Council of Canada in 8 1/2 years confirms an inverse relationship between meteor rates and solar activity as measured by sunspot numbers. The relationship, significant at the 1% level, appears in the Canadian annual average when the abnormal 1963 increase is removed, in monthly and 1/3-monthly results for the total Canadian period, and in monthly intervals for 1 year of the New Zealand data. This proven relationship of meteor rates with the solar cycle calls for a significant density gradient change over the solar cycle in the 70- to-120-km height range. Although some definite negative results have been reported, no unambiguous positive results are yet available supporting such a density gradient change. It is possible that density variations due to annual, semiannual, diurnal, and latitudinal changes obscure any 11-year density gradient change occurring at these heights. It is uncertain whether the 1963 increase represents density gradient changes in the meteor ablation region regularly brought about 1-2 years before each sunspot minimum or is a special event due to volcanic dust. The following additional facts have emerged from the present analysis. (1) Within a 1-year period the seasonal rate change of astronomical origin overrides any density gradient change in controlling the meteor rates in one of the two hemispheres. (2) The earth's daily rotation alters rates in phase with probable diurnal density gradient changes. (3) An effect due to D region absorption has been observed in the Canadian data

  19. Time-dependent density-functional tight-binding method with the third-order expansion of electron density.

    Science.gov (United States)

    Nishimoto, Yoshio

    2015-09-07

    We develop a formalism for the calculation of excitation energies and excited state gradients for the self-consistent-charge density-functional tight-binding method with the third-order contributions of a Taylor series of the density functional theory energy with respect to the fluctuation of electron density (time-dependent density-functional tight-binding (TD-DFTB3)). The formulation of the excitation energy is based on the existing time-dependent density functional theory and the older TD-DFTB2 formulae. The analytical gradient is computed by solving Z-vector equations, and it requires one to calculate the third-order derivative of the total energy with respect to density matrix elements due to the inclusion of the third-order contributions. The comparison of adiabatic excitation energies for selected small and medium-size molecules using the TD-DFTB2 and TD-DFTB3 methods shows that the inclusion of the third-order contributions does not affect excitation energies significantly. A different set of parameters, which are optimized for DFTB3, slightly improves the prediction of adiabatic excitation energies statistically. The application of TD-DFTB for the prediction of absorption and fluorescence energies of cresyl violet demonstrates that TD-DFTB3 reproduced the experimental fluorescence energy quite well.

  20. Fast response densitometer for measuring liquid density

    Science.gov (United States)

    1972-01-01

    Densitometer was developed which produces linear voltage proportional to changes in density of flowing liquid hydrogen. Unit has fast response time and good system stability, statistical variation, and thermal equilibrium. System accuracy is 2 percent of total density span. Basic design may be altered to include measurement of other flowing materials.

  1. Emergence of life from multicomponent mixtures of chemicals: the case for experiments with cycling physicochemical gradients.

    Science.gov (United States)

    Spitzer, Jan

    2013-04-01

    The emergence of life from planetary multicomponent mixtures of chemicals is arguably the most complicated and least understood natural phenomenon. The fact that living cells are non-equilibrium systems suggests that life can emerge only from non-equilibrium chemical systems. From an astrobiological standpoint, non-equilibrium chemical systems arise naturally when solar irradiation strikes rotating surfaces of habitable planets: the resulting cycling physicochemical gradients persistently drive planetary chemistries toward "embryonic" living systems and an eventual emergence of life. To better understand the factors that lead to the emergence of life, I argue for cycling non-equilibrium experiments with multicomponent chemical systems designed to represent the evolving chemistry of Hadean Earth ("prebiotic soups"). Specifically, I suggest experimentation with chemical engineering simulators of Hadean Earth to observe and analyze (i) the appearances and phase separations of surface active and polymeric materials as precursors of the first "cell envelopes" (membranes) and (ii) the accumulations, commingling, and co-reactivity of chemicals from atmospheric, oceanic, and terrestrial locations.

  2. Equilibrium and pre-equilibrium emissions in proton-induced ...

    Indian Academy of Sciences (India)

    necessary for the domain of fission-reactor technology for the calculation of nuclear transmutation ... tions occur in three stages: INC, pre-equilibrium and equilibrium (or compound. 344. Pramana ... In the evaporation phase of the reaction, the.

  3. Stellar equilibrium configurations of white dwarfs in the f(R, T) gravity

    Energy Technology Data Exchange (ETDEWEB)

    Carvalho, G.A.; Moraes, P.H.R.S.; Marinho, R.M.; Malheiro, M. [Instituto Tecnologico de Aeronautica, Departamento de Fisica, Sao Jose dos Campos, SP (Brazil); Lobato, R.V. [Instituto Tecnologico de Aeronautica, Departamento de Fisica, Sao Jose dos Campos, SP (Brazil); Sapienza Universita di Roma, Dipartimento di Fisica, Rome (Italy); ICRANet, Pescara (Italy); Arbanil, Jose D.V. [Universidad Privada del Norte, Departamento de Ciencias, Lima (Peru); Otoniel, E. [Universidade Federal do Cariri, Instituto de Formacao de Professores, Brejo Santo, CE (Brazil)

    2017-12-15

    In this work we investigate the equilibrium configurations of white dwarfs in a modified gravity theory, namely, f(R, T) gravity, for which R and T stand for the Ricci scalar and trace of the energy-momentum tensor, respectively. Considering the functional form f(R, T) = R+2λT, with λ being a constant, we obtain the hydrostatic equilibrium equation for the theory. Some physical properties of white dwarfs, such as: mass, radius, pressure and energy density, as well as their dependence on the parameter λ are derived. More massive and larger white dwarfs are found for negative values of λ when it decreases. The equilibrium configurations predict a maximum mass limit for white dwarfs slightly above the Chandrasekhar limit, with larger radii and lower central densities when compared to standard gravity outcomes. The most important effect of f(R, T) theory for massive white dwarfs is the increase of the radius in comparison with GR and also f(R) results. By comparing our results with some observational data of massive white dwarfs we also find a lower limit for λ, namely, λ > -3 x 10{sup -4}. (orig.)

  4. Stellar equilibrium configurations of white dwarfs in the f( R, T) gravity

    Science.gov (United States)

    Carvalho, G. A.; Lobato, R. V.; Moraes, P. H. R. S.; Arbañil, José D. V.; Otoniel, E.; Marinho, R. M.; Malheiro, M.

    2017-12-01

    In this work we investigate the equilibrium configurations of white dwarfs in a modified gravity theory, namely, f( R, T) gravity, for which R and T stand for the Ricci scalar and trace of the energy-momentum tensor, respectively. Considering the functional form f(R,T)=R+2λ T, with λ being a constant, we obtain the hydrostatic equilibrium equation for the theory. Some physical properties of white dwarfs, such as: mass, radius, pressure and energy density, as well as their dependence on the parameter λ are derived. More massive and larger white dwarfs are found for negative values of λ when it decreases. The equilibrium configurations predict a maximum mass limit for white dwarfs slightly above the Chandrasekhar limit, with larger radii and lower central densities when compared to standard gravity outcomes. The most important effect of f( R, T) theory for massive white dwarfs is the increase of the radius in comparison with GR and also f( R) results. By comparing our results with some observational data of massive white dwarfs we also find a lower limit for λ , namely, λ >- 3× 10^{-4}.

  5. Shape characteristics of equilibrium and non-equilibrium fractal clusters.

    Science.gov (United States)

    Mansfield, Marc L; Douglas, Jack F

    2013-07-28

    It is often difficult in practice to discriminate between equilibrium and non-equilibrium nanoparticle or colloidal-particle clusters that form through aggregation in gas or solution phases. Scattering studies often permit the determination of an apparent fractal dimension, but both equilibrium and non-equilibrium clusters in three dimensions frequently have fractal dimensions near 2, so that it is often not possible to discriminate on the basis of this geometrical property. A survey of the anisotropy of a wide variety of polymeric structures (linear and ring random and self-avoiding random walks, percolation clusters, lattice animals, diffusion-limited aggregates, and Eden clusters) based on the principal components of both the radius of gyration and electric polarizability tensor indicates, perhaps counter-intuitively, that self-similar equilibrium clusters tend to be intrinsically anisotropic at all sizes, while non-equilibrium processes such as diffusion-limited aggregation or Eden growth tend to be isotropic in the large-mass limit, providing a potential means of discriminating these clusters experimentally if anisotropy could be determined along with the fractal dimension. Equilibrium polymer structures, such as flexible polymer chains, are normally self-similar due to the existence of only a single relevant length scale, and are thus anisotropic at all length scales, while non-equilibrium polymer structures that grow irreversibly in time eventually become isotropic if there is no difference in the average growth rates in different directions. There is apparently no proof of these general trends and little theoretical insight into what controls the universal anisotropy in equilibrium polymer structures of various kinds. This is an obvious topic of theoretical investigation, as well as a matter of practical interest. To address this general problem, we consider two experimentally accessible ratios, one between the hydrodynamic and gyration radii, the other

  6. Influence of pre-strain on thermal stability of non-equilibrium microstructures in a low alloy steel

    International Nuclear Information System (INIS)

    Sun, Chao; Yang, Shanwu; Wang, Xian; Zhang, Rui; He, Xinlai

    2013-01-01

    Highlights: ► High pre-strain and low pre-strain influence differently on thermal stability of non-equilibrium microstructures. ► High pre-strain, in which dislocation sources can be actuated and dislocation density is increased excessively, will markedly promote recrystallization. ► Low pre-strain, in which dislocations are induced to redistribute into a low-energy structure, can slow down microstructure evolution. -- Abstract: Non-equilibrium microstructures in steels including martensite and bainite, which are main phases in current high strength steels, possess high strength and hardness. However, these microstructures are metastable due to their high density of crystal defects. In the present investigation, hardness test, optical microscopy and electron microscopy have been carried out to detect microstructure evolution in a low alloy steel, which was reheated and held isothermally at 550 °C. Special emphasis was put on influence of pre-strain on thermal stability of non-equilibrium microstructures. It is found that high pre-strain, in which dislocation sources can be actuated and dislocation density is increased excessively, will markedly promote recrystallization of non-equilibrium microstructures at 550 °C, while low pre-strain, in which only can mono-glide of dislocations can be operated in each grain and dislocations are induced to redistribute into a low-energy structure, can slow down microstructure evolution

  7. Time-dependent non-equilibrium dielectric response in QM/continuum approaches

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Feizhi; Lingerfelt, David B.; Li, Xiaosong, E-mail: benedetta.mennucci@unipi.it, E-mail: li@chem.washington.edu [Department of Chemistry, University of Washington, Seattle, Washington 98195 (United States); Mennucci, Benedetta, E-mail: benedetta.mennucci@unipi.it, E-mail: li@chem.washington.edu [Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, 56126 Pisa (Italy)

    2015-01-21

    The Polarizable Continuum Models (PCMs) are some of the most inexpensive yet successful methods for including the effects of solvation in quantum-mechanical calculations of molecular systems. However, when applied to the electronic excitation process, these methods are restricted to dichotomously assuming either that the solvent has completely equilibrated with the excited solute charge density (infinite-time limit), or that it retains the configuration that was in equilibrium with the solute prior to excitation (zero-time limit). This renders the traditional PCMs inappropriate for resolving time-dependent solvent effects on non-equilibrium solute electron dynamics like those implicated in the instants following photoexcitation of a solvated molecular species. To extend the existing methods to this non-equilibrium regime, we herein derive and apply a new formalism for a general time-dependent continuum embedding method designed to be propagated alongside the solute’s electronic degrees of freedom in the time domain. Given the frequency-dependent dielectric constant of the solvent, an equation of motion for the dielectric polarization is derived within the PCM framework and numerically integrated simultaneously with the time-dependent Hartree fock/density functional theory equations. Results for small molecular systems show the anticipated dipole quenching and electronic state dephasing/relaxation resulting from out-of-phase charge fluctuations in the dielectric and embedded quantum system.

  8. Is the bulk mode conversion important in high density helicon plasma?

    Energy Technology Data Exchange (ETDEWEB)

    Isayama, Shogo; Hada, Tohru [Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, 6-1 Kasuga-Kohen, Kasuga, Fukuoka 816-8580 (Japan); Shinohara, Shunjiro [Institute of Engineering, Tokyo University of Agriculture and Technology, 2-24-16, Naka-cho, Koganei, Tokyo 184-8588 (Japan); Tanikawa, Takao [Research Institute of Science and Technology, Tokai University 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan)

    2016-06-15

    In a high-density helicon plasma production process, a contribution of Trivelpiece-Gould (TG) wave for surface power deposition is widely accepted. The TG wave can be excited either due to an abrupt density gradient near the plasma edge (surface conversion) or due to linear mode conversion from the helicon wave in a density gradient in the bulk region (bulk mode conversion). By numerically solving the boundary value problem of linear coupling between the helicon and the TG waves in a background with density gradient, we show that the efficiency of the bulk mode conversion strongly depends on the dissipation included in the plasma, and the bulk mode conversion is important when the dissipation is small. Also, by performing FDTD simulation, we show the time evolution of energy flux associated with the helicon and the TG waves.

  9. 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)

  10. 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

  11. 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.

  12. 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

  13. Magnetization of High Density Hadronic Fluid

    DEFF Research Database (Denmark)

    Bohr, Henrik; Providencia, Constanca; da Providencia, João

    2012-01-01

    In the present paper the magnetization of a high density relativistic fluid of elementary particles is studied. At very high densities, such as may be found in the interior of a neutron star, when the external magnetic field is gradually increased, the energy of the normal phase of the fluid...... in the particle fluid. For nuclear densities above 2 to 3 rho(0), where rho(0) is the equilibrium nuclear density, the resulting magnetic field turns out to be rather huge, of the order of 10(17) Gauss....

  14. Temperature and phase-space density of a cold atom cloud in a quadrupole magnetic trap

    Energy Technology Data Exchange (ETDEWEB)

    Ram, S. P.; Mishra, S. R.; Tiwari, S. K.; Rawat, H. S. [Raja Ramanna Centre for Advanced Technology, Indore (India)

    2014-08-15

    We present studies on modifications in the temperature, number density and phase-space density when a laser-cooled atom cloud from optical molasses is trapped in a quadrupole magnetic trap. Theoretically, for a given temperature and size of the cloud from the molasses, the phase-space density in the magnetic trap is shown first to increase with increasing magnetic field gradient and then to decrease with it after attaining a maximum value at an optimum value of the magnetic-field gradient. The experimentally-measured variation in the phase-space density in the magnetic trap with changing magnetic field gradient is shown to exhibit a similar trend. However, the experimentally-measured values of the number density and the phase-space density are much lower than the theoretically-predicted values. This is attributed to the experimentally-observed temperature in the magnetic trap being higher than the theoretically-predicted temperature. Nevertheless, these studies can be useful for setting a higher phase-space density in the trap by establishing an optimal value of the field gradient for a quadrupole magnetic trap.

  15. Gradiente florístico das florestas secundárias do Nordeste Paraense Floristic gradient of the northeast Paraense secondary forests

    Directory of Open Access Journals (Sweden)

    Shirley Soares Prata

    2010-09-01

    Full Text Available O presente estudo descreve um gradiente florístico de uma cronosequência de florestas secundárias do Nordeste Paraense, a partir de 19 sítios de diferentes idades, avaliados em diferentes anos. Foram usados os dados de densidade e realizada análise de regressão para riqueza, diversidade, densidade, densidade relativa máxima e equibilidade em relação à idade. Foi usado o método de análise de agrupamento hierárquico, sendo a distância euclidiana utilizada como medida de dissimilaridade e aplicada uma Análise de Componente Principal (PCA para confirmação dos grupos. Após a definição dos grupos, foi feita a análise indicadora de espécies (IndVal sobre a mesma matriz utilizada para análise de agrupamento. Encontrou-se um gradiente geográfico na cronosequência analisada e as espécies Tapirira guianensis, Vismia guianensis, Inga alba, Lacistema aggregatum, Croton maturensis, Abarema jupunba, Inga rubiginosa, Guateria poepigiana e Thyrsodium paraense, são indicadoras das florestas secundárias do Nordeste Paraense analisadas neste estudo.This study describes a floristic gradient of secondary forest chronosequence in northeast of Pará State - Brazil, from 19 sites of different ages, evaluated in different years. We used density data and carried out regression analysis for richness, diversity, density, maximum relative density and equitability in relation to the age. We used the hierarchic grouping method of analysis and the Euclidean distance as dissimilarity measure, and applied a Principal Component Analysis (PCA for confirming the groups. After defining the groups, we made an indicating species analysis (IndVal on the same matrix used for the grouping analysis. We found a geographic gradient in the chronosequence analyzed and the species Tapirira guianensis, Vismia guianensis, Inga alba, Lacistema aggregatum, Croton maturensis, Abarema jupunba, Inga rubiginosa, Guateria poepigiana and Thyrsodium paraense to be indicators of

  16. Corrosion of cast and non equilibrium magnesium alloys

    International Nuclear Information System (INIS)

    Mathieu, S.; Rapin, C.; Steinmetz, P.; Hazan, J.

    1999-01-01

    Due to their low density, magnesium alloys arc very promising as regards applications in the automotive or aeronautical industry. Their corrosion resistance has however to be increased, particularly for cast alloys which are very often two-phased and thus suffer from internal galvanic corrosion. With use of sputtering methods of elaboration, homogeneous magnesium alloys containing far from equilibrium Al, Zr or valve metals contents can be prepared. Corrosion data for Mg-Al-Zn-Sn alloys and MgZr alloys obtained by sputtering, have been determined and compared to those of cast and thixocast AZ91 alloy. Electrochemical tests have evidenced a significantly better behaviour of non equilibrium alloys which, thanks to XPS measurements, could be correlated to the composition of the superficial oxide scale formed on these alloys. (author)

  17. Low-memory iterative density fitting.

    Science.gov (United States)

    Grajciar, Lukáš

    2015-07-30

    A new low-memory modification of the density fitting approximation based on a combination of a continuous fast multipole method (CFMM) and a preconditioned conjugate gradient solver is presented. Iterative conjugate gradient solver uses preconditioners formed from blocks of the Coulomb metric matrix that decrease the number of iterations needed for convergence by up to one order of magnitude. The matrix-vector products needed within the iterative algorithm are calculated using CFMM, which evaluates them with the linear scaling memory requirements only. Compared with the standard density fitting implementation, up to 15-fold reduction of the memory requirements is achieved for the most efficient preconditioner at a cost of only 25% increase in computational time. The potential of the method is demonstrated by performing density functional theory calculations for zeolite fragment with 2592 atoms and 121,248 auxiliary basis functions on a single 12-core CPU workstation. © 2015 Wiley Periodicals, Inc.

  18. Conjugate gradient filtering of instantaneous normal modes, saddles on the energy landscape, and diffusion in liquids.

    Science.gov (United States)

    Chowdhary, J; Keyes, T

    2002-02-01

    Instantaneous normal modes (INM's) are calculated during a conjugate-gradient (CG) descent of the potential energy landscape, starting from an equilibrium configuration of a liquid or crystal. A small number (approximately equal to 4) of CG steps removes all the Im-omega modes in the crystal and leaves the liquid with diffusive Im-omega which accurately represent the self-diffusion constant D. Conjugate gradient filtering appears to be a promising method, applicable to any system, of obtaining diffusive modes and facilitating INM theory of D. The relation of the CG-step dependent INM quantities to the landscape and its saddles is discussed.

  19. Global asymptotic stability of density dependent integral population projection models.

    Science.gov (United States)

    Rebarber, Richard; Tenhumberg, Brigitte; Townley, Stuart

    2012-02-01

    Many stage-structured density dependent populations with a continuum of stages can be naturally modeled using nonlinear integral projection models. In this paper, we study a trichotomy of global stability result for a class of density dependent systems which include a Platte thistle model. Specifically, we identify those systems parameters for which zero is globally asymptotically stable, parameters for which there is a positive asymptotically stable equilibrium, and parameters for which there is no asymptotically stable equilibrium. Copyright © 2011 Elsevier Inc. All rights reserved.

  20. Algorithm based on the Thomson problem for determination of equilibrium structures of metal nanoclusters

    Science.gov (United States)

    Arias, E.; Florez, E.; Pérez-Torres, J. F.

    2017-06-01

    A new algorithm for the determination of equilibrium structures suitable for metal nanoclusters is proposed. The algorithm performs a stochastic search of the minima associated with the nuclear potential energy function restricted to a sphere (similar to the Thomson problem), in order to guess configurations of the nuclear positions. Subsequently, the guessed configurations are further optimized driven by the total energy function using the conventional gradient descent method. This methodology is equivalent to using the valence shell electron pair repulsion model in guessing initial configurations in the traditional molecular quantum chemistry. The framework is illustrated in several clusters of increasing complexity: Cu7, Cu9, and Cu11 as benchmark systems, and Cu38 and Ni9 as novel systems. New equilibrium structures for Cu9, Cu11, Cu38, and Ni9 are reported.

  1. Collision integral and equilibrium distributions for a bounded plasma

    International Nuclear Information System (INIS)

    Zagorodnij, A.G.; Usenko, A.S.; Yakimenko, I.P.

    1985-01-01

    A kinetic equation of Balesku-Lennard type for multicomponent system of charged particle limited by two flat-parallel surfaces is derived on the basis of the general theory of electromagnetic fluctuations in plasma. Equilibrium values of collision integral for a plasma with arbitrary configuration boundaries are calculated and general ratios describing charged particles density profiles in such systems are obtained

  2. Precision bounds for gradient magnetometry with atomic ensembles

    Science.gov (United States)

    Apellaniz, Iagoba; Urizar-Lanz, Iñigo; Zimborás, Zoltán; Hyllus, Philipp; Tóth, Géza

    2018-05-01

    We study gradient magnetometry with an ensemble of atoms with arbitrary spin. We calculate precision bounds for estimating the gradient of the magnetic field based on the quantum Fisher information. For quantum states that are invariant under homogeneous magnetic fields, we need to measure a single observable to estimate the gradient. On the other hand, for states that are sensitive to homogeneous fields, a simultaneous measurement is needed, as the homogeneous field must also be estimated. We prove that for the cases studied in this paper, such a measurement is feasible. We present a method to calculate precision bounds for gradient estimation with a chain of atoms or with two spatially separated atomic ensembles. We also consider a single atomic ensemble with an arbitrary density profile, where the atoms cannot be addressed individually, and which is a very relevant case for experiments. Our model can take into account even correlations between particle positions. While in most of the discussion we consider an ensemble of localized particles that are classical with respect to their spatial degree of freedom, we also discuss the case of gradient metrology with a single Bose-Einstein condensate.

  3. Convergence in gradient systems with branching of equilibria

    International Nuclear Information System (INIS)

    Galaktionov, V A; Pohozaev, Stanislav I; Shishkov, A E

    2007-01-01

    The basic model is a semilinear elliptic equation with coercive C 1 non-linearity: Δψ+f(ψ)=0 in Ω, ψ=0 on ∂Ω, where Ω subset of R N is a bounded smooth domain. The main hypothesis (H R ) about resonance branching is as follows: if a branching of equilibria occurs at a point ψ with k-dimensional kernel of the linearized operator Δ+f'(ψ)I, then the branching subset S k at ψ is a locally smooth k-dimensional manifold. For N=1 the first result on the stabilization to a single equilibrium is due to Zelenyak (1968). It is shown that Zelenyak's approach, which is based on the analysis of Lyapunov functions, can be extended to general gradient systems in Hilbert spaces with smooth resonance branching. The case of asymptotically small non-autonomous perturbations of such systems is also considered. The approach developed here represents an alternative to Hale's stabilization method (1992) and other similar techniques in the theory of gradient systems. Bibliography: 32 titles.

  4. Ion temperature gradient modes in toroidal helical systems

    Energy Technology Data Exchange (ETDEWEB)

    Kuroda, T. [Graduate University for Advanced Studies, Toki, Gifu (Japan); Sugama, H.; Kanno, R.; Okamoto, M.

    2000-04-01

    Linear properties of ion temperature gradient (ITG) modes in helical systems are studied. The real frequency, growth rate, and eigenfunction are obtained for both stable and unstable cases by solving a kinetic integral equation with proper analytic continuation performed in the complex frequency plane. Based on the model magnetic configuration for toroidal helical systems like the Large Helical Device (LHD), dependences of the ITG mode properties on various plasma equilibrium parameters are investigated. Particularly, relative effects of {nabla}B-curvature drifts driven by the toroidicity and by the helical ripples are examined in order to compare the ITG modes in helical systems with those in tokamaks. (author)

  5. Ion temperature gradient modes in toroidal helical systems

    International Nuclear Information System (INIS)

    Kuroda, T.; Sugama, H.; Kanno, R.; Okamoto, M.

    2000-04-01

    Linear properties of ion temperature gradient (ITG) modes in helical systems are studied. The real frequency, growth rate, and eigenfunction are obtained for both stable and unstable cases by solving a kinetic integral equation with proper analytic continuation performed in the complex frequency plane. Based on the model magnetic configuration for toroidal helical systems like the Large Helical Device (LHD), dependences of the ITG mode properties on various plasma equilibrium parameters are investigated. Particularly, relative effects of ∇B-curvature drifts driven by the toroidicity and by the helical ripples are examined in order to compare the ITG modes in helical systems with those in tokamaks. (author)

  6. Plasma gradient effects on double-probe measurements in the magnetosphere

    Directory of Open Access Journals (Sweden)

    H. Laakso

    1995-02-01

    Full Text Available The effects on double-probe electric field measurements induced by electron density and temperature gradients are investigated. We show that on some occasions such gradients may lead to marked spurious electric fields if the probes are assumed to lie at the same probe potential with respect to the plasma. The use of a proper bias current will decrease the magnitude of such an error. When the probes are near the plasma potential, the magnitude of these error signals, ∆E, can vary as ∆E ~ Te(∆ne/ne+0.5∆Te, where Te is the electron temperature, ∆ne/ne the relative electron density variation between the two sensors, and ∆Te the electron temperature difference between the two sensors. This not only implies that the error signals will increase linearly with the density variations but also that such signatures grow with Te, i.e., such effects are 10 times larger in a 10-eV plasma than in a 1-eV plasma. This type of error is independent of the probe separation distance provided the gradient scale length is much larger than this distance. The largest errors occur when the probes are near to the plasma potential. At larger positive probe potentials with respect to the plasma potential, the error becomes smaller if the probes are biased, as is usually the case with spherical double-probe experiments in the tenuous magnetospheric plasmas. The crossing of a plasma boundary (like the plasmapause or magnetopause yields an error signal of a single peak. During the crossing of a small structure (e.g., a double layer the error signal appears as a bipolar signature. Our analysis shows that errors in double-probe measurements caused by plasma gradients are not significant at large scale (»1 km plasma boundaries, and may only be important in cases where small-scale (<1 km, internal gradient structures exist. Bias currents tailored for each plasma parameter regime (i.e., variable bias current would o1q1improve the double-probe response to gradient

  7. Far-from-Equilibrium Route to Superthermal Light in Bimodal Nanolasers

    Directory of Open Access Journals (Sweden)

    Mathias Marconi

    2018-01-01

    Full Text Available Microscale and nanoscale lasers inherently exhibit rich photon statistics due to complex light-matter interaction in a strong spontaneous emission noise background. It is well known that they may display superthermal fluctuations—photon superbunching—in specific situations due to either gain competition, leading to mode-switching instabilities, or carrier-carrier coupling in superradiant microcavities. Here we show a generic route to superbunching in bimodal nanolasers by preparing the system far from equilibrium through a parameter quench. We demonstrate, both theoretically and experimentally, that transient dynamics after a short-pump-pulse-induced quench leads to heavy-tailed superthermal statistics when projected onto the weak mode. We implement a simple experimental technique to access the probability density functions that further enables quantifying the distance from thermal equilibrium via the thermodynamic entropy. The universality of this mechanism relies on the far-from-equilibrium dynamical scenario, which can be mapped to a fast cooling process of a suspension of Brownian particles in a liquid. Our results open up new avenues to mold photon statistics in multimode optical systems and may constitute a test bed to investigate out-of-equilibrium thermodynamics using micro or nanocavity arrays.

  8. Far-from-Equilibrium Route to Superthermal Light in Bimodal Nanolasers

    Science.gov (United States)

    Marconi, Mathias; Javaloyes, Julien; Hamel, Philippe; Raineri, Fabrice; Levenson, Ariel; Yacomotti, Alejandro M.

    2018-02-01

    Microscale and nanoscale lasers inherently exhibit rich photon statistics due to complex light-matter interaction in a strong spontaneous emission noise background. It is well known that they may display superthermal fluctuations—photon superbunching—in specific situations due to either gain competition, leading to mode-switching instabilities, or carrier-carrier coupling in superradiant microcavities. Here we show a generic route to superbunching in bimodal nanolasers by preparing the system far from equilibrium through a parameter quench. We demonstrate, both theoretically and experimentally, that transient dynamics after a short-pump-pulse-induced quench leads to heavy-tailed superthermal statistics when projected onto the weak mode. We implement a simple experimental technique to access the probability density functions that further enables quantifying the distance from thermal equilibrium via the thermodynamic entropy. The universality of this mechanism relies on the far-from-equilibrium dynamical scenario, which can be mapped to a fast cooling process of a suspension of Brownian particles in a liquid. Our results open up new avenues to mold photon statistics in multimode optical systems and may constitute a test bed to investigate out-of-equilibrium thermodynamics using micro or nanocavity arrays.

  9. Theoretical calculation of reorganization energy for electron self-exchange reaction by constrained density functional theory and constrained equilibrium thermodynamics.

    Science.gov (United States)

    Ren, Hai-Sheng; Ming, Mei-Jun; Ma, Jian-Yi; Li, Xiang-Yuan

    2013-08-22

    Within the framework of constrained density functional theory (CDFT), the diabatic or charge localized states of electron transfer (ET) have been constructed. Based on the diabatic states, inner reorganization energy λin has been directly calculated. For solvent reorganization energy λs, a novel and reasonable nonequilibrium solvation model is established by introducing a constrained equilibrium manipulation, and a new expression of λs has been formulated. It is found that λs is actually the cost of maintaining the residual polarization, which equilibrates with the extra electric field. On the basis of diabatic states constructed by CDFT, a numerical algorithm using the new formulations with the dielectric polarizable continuum model (D-PCM) has been implemented. As typical test cases, self-exchange ET reactions between tetracyanoethylene (TCNE) and tetrathiafulvalene (TTF) and their corresponding ionic radicals in acetonitrile are investigated. The calculated reorganization energies λ are 7293 cm(-1) for TCNE/TCNE(-) and 5939 cm(-1) for TTF/TTF(+) reactions, agreeing well with available experimental results of 7250 cm(-1) and 5810 cm(-1), respectively.

  10. Surface-dependent chemical equilibrium constants and capacitances for bare and 3-cyanopropyldimethylchlorosilane coated silica nanochannels

    DEFF Research Database (Denmark)

    Andersen, Mathias Bækbo; Frey, Jared; Pennathur, Sumita

    2011-01-01

    , and pK+ are constant and independent of surface composition. Our theoretical model consists of three parts: (i) a chemical equilibrium model of the bare or coated wall, (ii) a chemical equilibrium model of the buffered bulk electrolyte, and (iii) a self-consistent Gouy–Chapman–Stern triple-layer model...... of the electrochemical double layer coupling these two equilibrium models. To validate our model, we used both pH-sensitive dye-based capillary filling experiments as well as electro-osmotic current-monitoring measurements. Using our model we predict the dependence of ζ potential, surface charge density, and capillary...

  11. Structural relaxation and thermal conductivity of high-pressure formed, high-density di-n-butyl phthalate glass and pressure induced departures from equilibrium state.

    Science.gov (United States)

    Johari, G P; Andersson, Ove

    2017-06-21

    We report a study of structural relaxation of high-density glasses of di-n-butyl phthalate (DBP) by measuring thermal conductivity, κ, under conditions of pressure and temperature (p,T) designed to modify both the vibrational and configurational states of a glass. Various high-density glassy states of DBP were formed by (i) cooling the liquid under a fixed high p and partially depressurizing the glass, (ii) isothermal annealing of the depressurized glass, and (iii) pressurizing the glass formed by cooling the liquid under low p. At a given low p, κ of the glass formed by cooling under high p is higher than that of the glass formed by cooling under low p, and the difference increases as glass formation p is increased. κ of the glass formed under 1 GPa is ∼20% higher at ambient p than κ of the glass formed at ambient p. On heating at low p, κ decreases until the glass to liquid transition range is reached. This is the opposite of the increase in κ observed when a glass formed under a certain p is heated under the same p. At a given high p, κ of the low-density glass formed by cooling at low p is lower than that of the high-density glass formed by cooling at that high p. On heating at high p, κ increases until the glass to liquid transition range is reached. The effects observed are due to a thermally assisted approach toward equilibrium at p different from the glass formation p. In all cases, the density, enthalpy, and entropy would change until the glasses become metastable liquids at a fixed p, thus qualitatively relating κ to variation in these properties.

  12. Ultra-violet recombination continuum electron temperature measurements in a non-equilibrium atmospheric argon plasma

    International Nuclear Information System (INIS)

    Gordon, M.H.; Kruger, C.H.

    1991-01-01

    Emission measurements of temperature and electron density have been made downstream of a 50 kW induction plasma torch at temperatures and electron densities ranging between 6000 K and 8500 K and 10 to the 20th and 10 to the 21st/cu cm, respectively. Absolute and relative atomic line intensities, and absolute recombination continuum in both the visible and the UV were separately interpreted in order to characterize a recombining atmospheric argon plasma. Continuum measurements made in the UV at 270 nm were used to directly determine the kinetic electron temperature, independent of a Boltzmann equilibrium, assuming only that the electron velocity distribution is Maxwellian. The data indicate that a nonequilibrium condition exists in which the bound-excited and free electrons are nearly in mutual equilibrium down to the 4P level for electron densities as low as 2 x 10 to the 20th/cu m but that both are overpopulated with respect to the ground state due to finite recombination rates. 13 refs

  13. A new interferometry-based electron density fluctuation diagnostic on Alcator C-Moda)

    Science.gov (United States)

    Kasten, C. P.; Irby, J. H.; Murray, R.; White, A. E.; Pace, D. C.

    2012-10-01

    The two-color interferometry diagnostic on the Alcator C-Mod tokamak has been upgraded to measure fluctuations in the electron density and density gradient for turbulence and transport studies. Diagnostic features and capabilities are described. In differential mode, fast phase demodulation electronics detect the relative phase change between ten adjacent, radially-separated (ΔR = 1.2 cm, adjustable), vertical-viewing chords, which allows for measurement of the line-integrated electron density gradient. The system can be configured to detect the absolute phase shift of each chord by comparison to a local oscillator, measuring the line-integrated density. Each chord is sensitive to density fluctuations with kR < 20.3 cm-1 and is digitized at up to 10 MS/s, resolving aspects of ion temperature gradient-driven modes and other long-wavelength turbulence. Data from C-Mod discharges is presented, including observations of the quasi-coherent mode in enhanced D-alpha H-mode plasmas and the weakly coherent mode in I-mode.

  14. Isospin equilibrium and non-equilibrium in heavy-ion collisions at intermediate energies

    International Nuclear Information System (INIS)

    Chen Liewen; Ge Lingxiao; Zhang Xiaodong; Zhang Fengshou

    1997-01-01

    The equilibrium and non-equilibrium of the isospin degree of freedom are studied in terms of an isospin-dependent QMD model, which includes isospin-dependent symmetry energy, Coulomb energy, N-N cross sections and Pauli blocking. It is shown that there exists a transition from the isospin equilibrium to non-equilibrium as the incident energy from below to above a threshold energy in central, asymmetric heavy-ion collisions. Meanwhile, it is found that the phenomenon results from the co-existence and competition of different reaction mechanisms, namely, the isospin degree of freedom reaches an equilibrium if the incomplete fusion (ICF) component is dominant and does not reach equilibrium if the fragmentation component is dominant. Moreover, it is also found that the isospin-dependent N-N cross sections and symmetry energy are crucial for the equilibrium of the isospin degree of freedom in heavy-ion collisions around the Fermi energy. (author)

  15. Non-equilibrium hydrogen ionization in 2D simulations of the solar atmosphere

    Science.gov (United States)

    Leenaarts, J.; Carlsson, M.; Hansteen, V.; Rutten, R. J.

    2007-10-01

    Context: The ionization of hydrogen in the solar chromosphere and transition region does not obey LTE or instantaneous statistical equilibrium because the timescale is long compared with important hydrodynamical timescales, especially of magneto-acoustic shocks. Since the pressure, temperature, and electron density depend sensitively on hydrogen ionization, numerical simulation of the solar atmosphere requires non-equilibrium treatment of all pertinent hydrogen transitions. The same holds for any diagnostic application employing hydrogen lines. Aims: To demonstrate the importance and to quantify the effects of non-equilibrium hydrogen ionization, both on the dynamical structure of the solar atmosphere and on hydrogen line formation, in particular Hα. Methods: We implement an algorithm to compute non-equilibrium hydrogen ionization and its coupling into the MHD equations within an existing radiation MHD code, and perform a two-dimensional simulation of the solar atmosphere from the convection zone to the corona. Results: Analysis of the simulation results and comparison to a companion simulation assuming LTE shows that: a) non-equilibrium computation delivers much smaller variations of the chromospheric hydrogen ionization than for LTE. The ionization is smaller within shocks but subsequently remains high in the cool intershock phases. As a result, the chromospheric temperature variations are much larger than for LTE because in non-equilibrium, hydrogen ionization is a less effective internal energy buffer. The actual shock temperatures are therefore higher and the intershock temperatures lower. b) The chromospheric populations of the hydrogen n = 2 level, which governs the opacity of Hα, are coupled to the ion populations. They are set by the high temperature in shocks and subsequently remain high in the cool intershock phases. c) The temperature structure and the hydrogen level populations differ much between the chromosphere above photospheric magnetic elements

  16. Experimental studies of equilibrium in a linear EXTRAP z-pinch discharge

    International Nuclear Information System (INIS)

    Drake, J.R.

    1982-10-01

    Experimental studies of the radial equilibrium condition in linear Extrap discharge have been carried out. Bennet like scaling, NT α I 2 sub (p), has been observed where N is the plasma line density, T is the tempreature and I sub (p) is the plasma discharge current. (Author)

  17. NON-EQUILIBRIUM MOLECULAR DYNAMICS USED TO OBTAIN SORET COEFFICIENTS OF BINARY HYDROCARBON MIXTURES

    Directory of Open Access Journals (Sweden)

    F. A. Furtado

    2015-09-01

    Full Text Available AbstractThe Boundary Driven Non-Equilibrium Molecular Dynamics (BD-NEMD method is employed to evaluate Soret coefficients of binary mixtures. Using a n-decane/n-pentane mixture at 298 K, we study several parameters and conditions of the simulation procedure such as system size, time step size, frequency of perturbation, and the undesired warming up of the system during the simulation. The Soret coefficients obtained here deviated around 20% when comparing with experimental data and with simulated results from the literature. We showed that fluctuations in composition gradients and the consequent deviations of the Soret coefficient may be due to characteristic fluctuations of the composition gradient. Best results were obtained with the smallest time steps and without using a thermostat, which shows that there is room for improvement and/or development of new BD-NEMD algorithms.

  18. Species richness and trait composition of butterfly assemblages change along an altitudinal gradient.

    Science.gov (United States)

    Leingärtner, Annette; Krauss, Jochen; Steffan-Dewenter, Ingolf

    2014-06-01

    Species richness patterns along altitudinal gradients are well-documented ecological phenomena, yet very little data are available on how environmental filtering processes influence the composition and traits of butterfly assemblages at high altitudes. We have studied the diversity patterns of butterfly species at 34 sites along an altitudinal gradient ranging from 600 to 2,000 m a.s.l. in the National Park Berchtesgaden (Germany) and analysed traits of butterfly assemblages associated with dispersal capacity, reproductive strategies and developmental time from lowlands to highlands, including phylogenetic analyses. We found a linear decline in butterfly species richness along the altitudinal gradient, but the phylogenetic relatedness of the butterfly assemblages did not increase with altitude. Compared to butterfly assemblages at lower altitudes, those at higher altitudes were composed of species with larger wings (on average 9%) which laid an average of 68% more eggs. In contrast, egg maturation time in butterfly assemblages decreased by about 22% along the altitudinal gradient. Further, butterfly assemblages at higher altitudes were increasingly dominated by less widespread species. Based on our abundance data, but not on data in the literature, population density increased with altitude, suggesting a reversed density-distribution relationship, with higher population densities of habitat specialists in harsh environments. In conclusion, our data provide evidence for significant shifts in the composition of butterfly assemblages and for the dominance of different traits along the altitudinal gradient. In our study, these changes were mainly driven by environmental factors, whereas phylogenetic filtering played a minor role along the studied altitudinal range.

  19. 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.

  20. 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.

  1. Ground-state properties of third-row elements with nonlocal density functionals

    International Nuclear Information System (INIS)

    Bagno, P.; Jepsen, O.; Gunnarsson, O.

    1989-01-01

    The cohesive energy, the lattice parameter, and the bulk modulus of third-row elements are calculated using the Langreth-Mehl-Hu (LMH), the Perdew-Wang (PW), and the gradient expansion functionals. The PW functional is found to give somewhat better results than the LMH functional and both are found to typically remove half the errors in the local-spin-density (LSD) approximation, while the gradient expansion gives worse results than the local-density approximation. For Fe both the LMH and PW functionals correctly predict a ferromagnetic bcc ground state, while the LSD approximation and the gradient expansion predict a nonmagnetic fcc ground state

  2. High Pressure Vapor-Liquid Equilibrium of Supercritical Carbon Dioxide + n-Hexane System

    Institute of Scientific and Technical Information of China (English)

    YU Jinglin; TIAN Yiling; ZHU Rongjiao; LIU Zhihua

    2006-01-01

    Vapor-liquid equilibrium data of supercritical carbon dioxide + n-hexane system were measured at 313.15 K,333.15 K,353.15 K,and 373.15 K and their molar volumes and densities were measured both in the subcritical and supercritical regions ranging from 2.15 to 12.63 MPa using a variable-volume autoclave.The thermodynamic properties including mole fractions,densities,and molar volumes of the system were calculated with an equation of state by Heilig and Franck,in which a repulsion term and a square-well potential attraction term for intermolecular interaction was used.The pairwise combination rule was used to calculate the square-well molecular interaction potential and three adjustable parameters (ω,kε,kσ) were obtained.The Heilig-Franck equation of state is found to have good correlation with binary vapor-liquid equilibrium data of the carbon dioxide + n-hexane system.

  3. Local relative density modulates failure and strength in vertically aligned carbon nanotubes.

    Science.gov (United States)

    Pathak, Siddhartha; Mohan, Nisha; Decolvenaere, Elizabeth; Needleman, Alan; Bedewy, Mostafa; Hart, A John; Greer, Julia R

    2013-10-22

    Micromechanical experiments, image analysis, and theoretical modeling revealed that local failure events and compressive stresses of vertically aligned carbon nanotubes (VACNTs) were uniquely linked to relative density gradients. Edge detection analysis of systematically obtained scanning electron micrographs was used to quantify a microstructural figure-of-merit related to relative local density along VACNT heights. Sequential bottom-to-top buckling and hardening in stress-strain response were observed in samples with smaller relative density at the bottom. When density gradient was insubstantial or reversed, bottom regions always buckled last, and a flat stress plateau was obtained. These findings were consistent with predictions of a 2D material model based on a viscoplastic solid with plastic non-normality and a hardening-softening-hardening plastic flow relation. The hardening slope in compression generated by the model was directly related to the stiffness gradient along the sample height, and hence to the local relative density. These results demonstrate that a microstructural figure-of-merit, the effective relative density, can be used to quantify and predict the mechanical response.

  4. From statistic mechanic outside equilibrium to transport equations

    International Nuclear Information System (INIS)

    Balian, R.

    1995-01-01

    This lecture notes give a synthetic view on the foundations of non-equilibrium statistical mechanics. The purpose is to establish the transport equations satisfied by the relevant variables, starting from the microscopic dynamics. The Liouville representation is introduced, and a projection associates with any density operator , for given choice of relevant observables, a reduced density operator. An exact integral-differential equation for the relevant variables is thereby derived. A short-memory approximation then yields the transport equations. A relevant entropy which characterizes the coarseness of the description is associated with each level of description. As an illustration, the classical gas, with its three levels of description and with the Chapman-Enskog method, is discussed. (author). 3 figs., 5 refs

  5. Migration of inclusions in solids in stress gradients

    International Nuclear Information System (INIS)

    Olander, D.R.

    1980-01-01

    A theoretical method of assessing the influence of stress and temperature gradients on the motion of inclusions in solids is developed. In nonuniform stress fields, the stress distribution on the surface of the cavity must be calculated and transformed to a potential gradient for driving a surface atom flux. The bubble migration velocity is the first Legendre coefficient of the surface flux. Higher order components represent distortion. The stress gradient effect appears only in small-magnitude terms in the surface chemical potential, specifically in the stress effect on the solid atomic volume and in the elastic energy density. The migration velocities of spherical and faceted bubbles in solids are computed and the extent of distortion of a spherical bubble is estimated. The role of vacancy exchange with the bulk solid on the migration velocity is assessed. (author)

  6. Local CC2 response method based on the Laplace transform: Analytic energy gradients for ground and excited states

    Energy Technology Data Exchange (ETDEWEB)

    Ledermüller, Katrin; Schütz, Martin, E-mail: martin.schuetz@chemie.uni-regensburg.de [Institute of Physical and Theoretical Chemistry, University of Regensburg, Universitätsstraße 31, D-93040 Regensburg (Germany)

    2014-04-28

    A multistate local CC2 response method for the calculation of analytic energy gradients with respect to nuclear displacements is presented for ground and electronically excited states. The gradient enables the search for equilibrium geometries of extended molecular systems. Laplace transform is used to partition the eigenvalue problem in order to obtain an effective singles eigenvalue problem and adaptive, state-specific local approximations. This leads to an approximation in the energy Lagrangian, which however is shown (by comparison with the corresponding gradient method without Laplace transform) to be of no concern for geometry optimizations. The accuracy of the local approximation is tested and the efficiency of the new code is demonstrated by application calculations devoted to a photocatalytic decarboxylation process of present interest.

  7. Local CC2 response method based on the Laplace transform: analytic energy gradients for ground and excited states.

    Science.gov (United States)

    Ledermüller, Katrin; Schütz, Martin

    2014-04-28

    A multistate local CC2 response method for the calculation of analytic energy gradients with respect to nuclear displacements is presented for ground and electronically excited states. The gradient enables the search for equilibrium geometries of extended molecular systems. Laplace transform is used to partition the eigenvalue problem in order to obtain an effective singles eigenvalue problem and adaptive, state-specific local approximations. This leads to an approximation in the energy Lagrangian, which however is shown (by comparison with the corresponding gradient method without Laplace transform) to be of no concern for geometry optimizations. The accuracy of the local approximation is tested and the efficiency of the new code is demonstrated by application calculations devoted to a photocatalytic decarboxylation process of present interest.

  8. Local CC2 response method based on the Laplace transform: Analytic energy gradients for ground and excited states

    International Nuclear Information System (INIS)

    Ledermüller, Katrin; Schütz, Martin

    2014-01-01

    A multistate local CC2 response method for the calculation of analytic energy gradients with respect to nuclear displacements is presented for ground and electronically excited states. The gradient enables the search for equilibrium geometries of extended molecular systems. Laplace transform is used to partition the eigenvalue problem in order to obtain an effective singles eigenvalue problem and adaptive, state-specific local approximations. This leads to an approximation in the energy Lagrangian, which however is shown (by comparison with the corresponding gradient method without Laplace transform) to be of no concern for geometry optimizations. The accuracy of the local approximation is tested and the efficiency of the new code is demonstrated by application calculations devoted to a photocatalytic decarboxylation process of present interest

  9. Gradient elution behavior of proteins in hydrophobic interaction chromatography with U-shaped retention factor curves.

    Science.gov (United States)

    Creasy, Arch; Lomino, Joseph; Barker, Gregory; Khetan, Anurag; Carta, Giorgio

    2018-04-27

    Protein retention in hydrophobic interaction chromatography is described by the solvophobic theory as a function of the kosmostropic salt concentration. In general, an increase in salt concentration drives protein partitioning to the hydrophobic surface while a decrease reduces it. In some cases, however, protein retention also increases at low salt concentrations resulting in a U-shaped retention factor curve. During gradient elution the salt concentration is gradually decreased from a high value thereby reducing the retention factor and increasing the protein chromatographic velocity. For these conditions, a steep gradient can overtake the protein in the column, causing it to rebind. Two dynamic models, one based on the local equilibrium theory and the other based on the linear driving force approximation, are presented. We show that the normalized gradient slope determines whether the protein elutes in the gradient, partially elutes, or is trapped in the column. Experimental results are presented for two different monoclonal antibodies and for lysozyme on Capto Phenyl (High Sub) resin. One of the mAbs and lysozyme exhibit U-shaped retention factor curves and for each, we determine the critical gradient slope beyond which 100% recovery is no longer possible. Elution with a reverse gradient is also demonstrated at low salt concentrations for these proteins. Understanding this behavior has implications in the design of gradient elution since the gradient slope impacts protein recovery. Copyright © 2018 Elsevier B.V. All rights reserved.

  10. 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.

  11. 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.

  12. First principles calculations of thermal conductivity with out of equilibrium molecular dynamics simulations

    Science.gov (United States)

    Puligheddu, Marcello; Gygi, Francois; Galli, Giulia

    The prediction of the thermal properties of solids and liquids is central to numerous problems in condensed matter physics and materials science, including the study of thermal management of opto-electronic and energy conversion devices. We present a method to compute the thermal conductivity of solids by performing ab initio molecular dynamics at non equilibrium conditions. Our formulation is based on a generalization of the approach to equilibrium technique, using sinusoidal temperature gradients, and it only requires calculations of first principles trajectories and atomic forces. We discuss results and computational requirements for a representative, simple oxide, MgO, and compare with experiments and data obtained with classical potentials. This work was supported by MICCoM as part of the Computational Materials Science Program funded by the U.S. Department of Energy (DOE), Office of Science , Basic Energy Sciences (BES), Materials Sciences and Engineering Division under Grant DOE/BES 5J-30.

  13. Probing of molecular replication and accumulation in shallow heat gradients through numerical simulations.

    Science.gov (United States)

    Keil, Lorenz; Hartmann, Michael; Lanzmich, Simon; Braun, Dieter

    2016-07-27

    How can living matter arise from dead matter? All known living systems are built around information stored in RNA and DNA. To protect this information against molecular degradation and diffusion, the second law of thermodynamics imposes the need for a non-equilibrium driving force. Following a series of successful experiments using thermal gradients, we have shown that heat gradients across sub-millimetre pores can drive accumulation, replication, and selection of ever longer molecules, implementing all the necessary parts for Darwinian evolution. For these lab experiments to proceed with ample speed, however, the temperature gradients have to be quite steep, reaching up to 30 K per 100 μm. Here we use computer simulations based on experimental data to show that 2000-fold shallower temperature gradients - down to 100 K over one metre - can still drive the accumulation of protobiomolecules. This finding opens the door for various environments to potentially host the origins of life: volcanic, water-vapour, or hydrothermal settings. Following the trajectories of single molecules in simulation, we also find that they are subjected to frequent temperature oscillations inside these pores, facilitating e.g. template-directed replication mechanisms. The tilting of the pore configuration is the central strategy to achieve replication in a shallow temperature gradient. Our results suggest that shallow thermal gradients across porous rocks could have facilitated the formation of evolutionary machines, significantly increasing the number of potential sites for the origin of life on young rocky planets.

  14. A tightly coupled non-equilibrium model for inductively coupled radio-frequency plasmas

    International Nuclear Information System (INIS)

    Munafò, A.; Alfuhaid, S. A.; Panesi, M.; Cambier, J.-L.

    2015-01-01

    The objective of the present work is the development of a tightly coupled magneto-hydrodynamic model for inductively coupled radio-frequency plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State approach. A multi-temperature formulation is used to account for thermal non-equilibrium between translation of heavy-particles and vibration of molecules. Excited electronic states of atoms are instead treated as separate pseudo-species, allowing for non-Boltzmann distributions of their populations. Free-electrons are assumed Maxwellian at their own temperature. The governing equations for the electro-magnetic field and the gas properties (e.g., chemical composition and temperatures) are written as a coupled system of time-dependent conservation laws. Steady-state solutions are obtained by means of an implicit Finite Volume method. The results obtained in both LTE and NLTE conditions over a broad spectrum of operating conditions demonstrate the robustness of the proposed coupled numerical method. The analysis of chemical composition and temperature distributions along the torch radius shows that: (i) the use of the LTE assumption may lead to an inaccurate prediction of the thermo-chemical state of the gas, and (ii) non-equilibrium phenomena play a significant role close the walls, due to the combined effects of Ohmic heating and macroscopic gradients

  15. Self-organized 3D equilibrium formation and its feedback control in RFX-mod

    International Nuclear Information System (INIS)

    Piovesan, P.; Bonfiglio, D.; Marrelli, L.; Soppelsa, A.; Spolaore, M.; Terranova, D.

    2014-01-01

    The reversed-field pinch exhibits a strong tendency to self-organize into a helical equilibrium as the plasma current is increased. The helical reversed-field pinch is characterized by reduced magnetic stochasticity and by the formation of electron internal transport barriers. The paper gives an update on recent experimental and modelling work on helical states in RFX-mod (Sonato et al 2003 Fusion Eng. Des. 66 161), also discussing similarities with 3D equilibria in tokamaks. The helical equilibrium is modelled with 3D codes developed for stellarators, such as VMEC/V3FIT. The reconstructed safety factor profile has low or reversed magnetic shear in the core, which may be related to transport barrier formation. A significant extension of the RFX-mod database to high current and density confirms the dependence observed before of various helical state properties on macroscopic quantities. Even under conditions where it does not form spontaneously, such as at low current or high density, the 3D magnetic equilibrium can be stimulated and robustly controlled with external fields applied by an extensive set of non axi-symmetric coils. An advanced magnetic feedback algorithm that compensates for error fields induced by eddy currents in the 3D wall structures has been developed. This work stimulated similar experiments in RFX-mod run as a tokamak, where external 3D fields are applied to control a m = 1/n = 1 helical equilibrium. (paper)

  16. Changes in buoyant density relationships of two cell types of Coxiella burneti phase I

    International Nuclear Information System (INIS)

    Wachter, R.F.; Briggs, G.P.; Gangemi, J.D.; Pedersen, C.E. Jr.

    1975-01-01

    Coxiella burneti phase I, purified from a formalin-inactivated yolk-sac vaccine, was separated into two bands of morphologically distinct cell types when subjected to sucrose gradient centrifugation. Recycling of the less dense, rod-shaped cells in unbuffered sucrose gradients (pH 5.5 to 6.0) resulted in the formation of bands having the location and appearance of the original two bands. Recycling of the denser band of larger ovoid-shaped cells yielded a single band, suggesting that the larger cell type arose from the smaller cell. In contrast to vaccine-derived rickettsiae, live, cell culture-propagated phase I organisms formed a single band in unbuffered sucrose gradients, at the same density as the upper band of the vaccine preparation. Centrifugation of cell culture-derived rickettsiae for 26 to 48 h in sucrose gradients of pH 5.5 resulted in the formation of a second band, at the same density as the lower band of the vaccine preparation. This did not occur in gradients of pH 7.0. Treatment of cell culture-propagated rickettsiae with formalin or germicidal ultraviolet radiation induced a total shift of the less dense cell population to a zone of higher density when centrifuged isopycnically in CsCl gradients. This density change did not occur in sucrose gradients, suggesting a difference in the effect of these treatments on the permeability of the cell membrane to sucrose and CsCl

  17. The adaptation rate of a quantitative trait in an environmental gradient

    Science.gov (United States)

    Hermsen, R.

    2016-12-01

    The spatial range of a species habitat is generally determined by the ability of the species to cope with biotic and abiotic variables that vary in space. Therefore, the species range is itself an evolvable property. Indeed, environmental gradients permit a mode of evolution in which range expansion and adaptation go hand in hand. This process can contribute to rapid evolution of drug resistant bacteria and viruses, because drug concentrations in humans and livestock treated with antibiotics are far from uniform. Here, we use a minimal stochastic model of discrete, interacting organisms evolving in continuous space to study how the rate of adaptation of a quantitative trait depends on the steepness of the gradient and various population parameters. We discuss analytical results for the mean-field limit as well as extensive stochastic simulations. These simulations were performed using an exact, event-driven simulation scheme that can deal with continuous time-, density- and coordinate-dependent reaction rates and could be used for a wide variety of stochastic systems. The results reveal two qualitative regimes. If the gradient is shallow, the rate of adaptation is limited by dispersion and increases linearly with the gradient slope. If the gradient is steep, the adaptation rate is limited by mutation. In this regime, the mean-field result is highly misleading: it predicts that the adaptation rate continues to increase with the gradient slope, whereas stochastic simulations show that it in fact decreases with the square root of the slope. This discrepancy underscores the importance of discreteness and stochasticity even at high population densities; mean-field results, including those routinely used in quantitative genetics, should be interpreted with care.

  18. The adaptation rate of a quantitative trait in an environmental gradient.

    Science.gov (United States)

    Hermsen, R

    2016-11-30

    The spatial range of a species habitat is generally determined by the ability of the species to cope with biotic and abiotic variables that vary in space. Therefore, the species range is itself an evolvable property. Indeed, environmental gradients permit a mode of evolution in which range expansion and adaptation go hand in hand. This process can contribute to rapid evolution of drug resistant bacteria and viruses, because drug concentrations in humans and livestock treated with antibiotics are far from uniform. Here, we use a minimal stochastic model of discrete, interacting organisms evolving in continuous space to study how the rate of adaptation of a quantitative trait depends on the steepness of the gradient and various population parameters. We discuss analytical results for the mean-field limit as well as extensive stochastic simulations. These simulations were performed using an exact, event-driven simulation scheme that can deal with continuous time-, density- and coordinate-dependent reaction rates and could be used for a wide variety of stochastic systems. The results reveal two qualitative regimes. If the gradient is shallow, the rate of adaptation is limited by dispersion and increases linearly with the gradient slope. If the gradient is steep, the adaptation rate is limited by mutation. In this regime, the mean-field result is highly misleading: it predicts that the adaptation rate continues to increase with the gradient slope, whereas stochastic simulations show that it in fact decreases with the square root of the slope. This discrepancy underscores the importance of discreteness and stochasticity even at high population densities; mean-field results, including those routinely used in quantitative genetics, should be interpreted with care.

  19. Experimental study of particle transport and density fluctuation in LHD

    International Nuclear Information System (INIS)

    Tanaka, K.; Michael, C.; Sanin, A.

    2005-01-01

    A variety of electron density (n e ) profiles have been observed in Large Helical Device (LHD). The density profiles change dramatically with heating power and toroidal magnetic field (B t ) under the same line averaged density. The particle transport coefficients, i.e., diffusion coefficient (D) and convection velocity (V) are experimentally obtained in the standard configuration from density modulation experiments. The values of D and V are estimated separately in the core and edge. The diffusion coefficients are found to be a strong function of electron temperature (T e ) and are proportional to T e 1.7±0.9 in the core and T e 1.1±0.14 in the edge. Edge diffusion coefficients are proportional to B t -2.08 . It is found that the scaling of D in the edge is close to gyro-Bohm-like in nature. Non-zero V is observed and it is found that the electron temperature gradient can drive particle convection, particularly in the core region. The convection velocity in the core reverses direction from inward to outward as the T e gradient increases. In the edge, convection is inward directed in most cases of the present data set. It shows a modest tendency, being proportional to T e gradient and remaining inward directed. However, the toroidal magnetic field also significantly affects the value and direction of V. The density fluctuation spectrum varies with heating power suggesting that it has an influence on particle transport. The value of K sub(perpendicular) ρ i is around 0.1, as expected for gyro-Bohm diffusion. Fluctuations are localized in both positive and negative density gradient regions of the hollow density profiles. The fluctuation power in each region is clearly distinguished having different phase velocity profiles. (author)

  20. 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.

  1. Analysis of the trend to equilibrium of a chemically reacting system

    International Nuclear Information System (INIS)

    Kremer, Gilberto M; Bianchi, Miriam Pandolfi; Soares, Ana Jacinta

    2007-01-01

    In this present paper, a quaternary gaseous reactive mixture, for which the chemical reaction is close to its final stage and the elastic and reactive frequencies are comparable, is modelled within the Boltzmann equation extended to reacting gases. The main objective is a detailed analysis of the non-equilibrium effects arising in the reactive system A 1 + A 2 ↔ A 3 + A 4 , in a flow regime which is considered not far away from thermal, mechanical and chemical equilibrium. A first-order perturbation solution technique is applied to the macroscopic field equations for the spatially homogeneous gas system, and the trend to equilibrium is studied in detail. Adopting elastic hard-spheres and reactive line-of-centres cross sections and an appropriate choice of the input distribution functions-which allows us to distinguish the two cases where the constituents are either at same or different temperatures-explicit computations of the linearized production terms for mass, momentum and total energy are performed for each gas species. The departures from the equilibrium states of densities, temperatures and diffusion fluxes are characterized by small perturbations of their corresponding equilibrium values. For the hydrogen-chlorine system, the perturbations are plotted as functions of time for both cases where the species are either at the same or different temperatures. Moreover, the trend to equilibrium of the reaction rates is represented for the forward and backward reaction H 2 + Cl ↔ HCl + H

  2. Equilibrium limit of thermal conduction and boundary scattering in nanostructures.

    Science.gov (United States)

    Haskins, Justin B; Kınacı, Alper; Sevik, Cem; Çağın, Tahir

    2014-06-28

    Determining the lattice thermal conductivity (κ) of nanostructures is especially challenging in that, aside from the phonon-phonon scattering present in large systems, the scattering of phonons from the system boundary greatly influences heat transport, particularly when system length (L) is less than the average phonon mean free path (MFP). One possible route to modeling κ in these systems is through molecular dynamics (MD) simulations, inherently including both phonon-phonon and phonon-boundary scattering effects in the classical limit. Here, we compare current MD methods for computing κ in nanostructures with both L ⩽ MFP and L ≫ MFP, referred to as mean free path constrained (cMFP) and unconstrained (uMFP), respectively. Using a (10,0) CNT (carbon nanotube) as a benchmark case, we find that while the uMFP limit of κ is well-defined through the use of equilibrium MD and the time-correlation formalism, the standard equilibrium procedure for κ is not appropriate for the treatment of the cMFP limit because of the large influence of boundary scattering. To address this issue, we define an appropriate equilibrium procedure for cMFP systems that, through comparison to high-fidelity non-equilibrium methods, is shown to be the low thermal gradient limit to non-equilibrium results. Further, as a means of predicting κ in systems having L ≫ MFP from cMFP results, we employ an extrapolation procedure based on the phenomenological, boundary scattering inclusive expression of Callaway [Phys. Rev. 113, 1046 (1959)]. Using κ from systems with L ⩽ 3 μm in the extrapolation, we find that the equilibrium uMFP κ of a (10,0) CNT can be predicted within 5%. The equilibrium procedure is then applied to a variety of carbon-based nanostructures, such as graphene flakes (GF), graphene nanoribbons (GNRs), CNTs, and icosahedral fullerenes, to determine the influence of size and environment (suspended versus supported) on κ. Concerning the GF and GNR systems, we find that

  3. Osmotic Gradients Induce Bio-reminiscent Morphological Transformations in Giant Unilamellar Vesicles

    Directory of Open Access Journals (Sweden)

    Kamila eOglecka

    2012-05-01

    Full Text Available We report observations of large-scale, in-plane and out-of-plane membrane deformations in giant uni- and multilamellar vesicles composed of binary and ternary lipid mixtures in the presence of net transvesicular osmotic gradients. The lipid mixtures we examined consisted of binary mixtures of DOPC and DPPC lipids and ternary mixtures comprising POPC, sphingomyelin, and cholesterol over a range of compositions – both of which produce co-existing phases for selected ranges of compositions at room temperature under thermodynamic equilibrium. In the presence of net osmotic gradient, we find that the in-plane phase separation potential of these mixtures is non-trivially altered and a variety of out-of-plane morphological remodeling occurs. The repertoire of membrane deformations we observe display striking resemblance to their biological counterparts in live cells encompassing vesiculation, membrane fission and fusion, tubulation and pearling, as well as expulsion of entrapped vesicles from multicompartmental GUV architectures through large, self-healing transient pores. These observations suggest that the forces introduced by simple osmotic gradients across membrane boundaries could act as a trigger for shape-dependent membrane and vesicle trafficking activities. We speculate that such coupling of osmotic gradients with membrane properties might have provided lipid-mediated mechanisms during the early evolution of membrane compartmentalization in the absence of osmoregulatory protein machinery.

  4. On the definition of equilibrium and non-equilibrium states in dynamical systems

    OpenAIRE

    Akimoto, Takuma

    2008-01-01

    We propose a definition of equilibrium and non-equilibrium states in dynamical systems on the basis of the time average. We show numerically that there exists a non-equilibrium non-stationary state in the coupled modified Bernoulli map lattice.

  5. Exact correlations in the Lieb-Liniger model and detailed balance out-of-equilibrium

    Directory of Open Access Journals (Sweden)

    Jacopo De Nardis, Miłosz Panfil

    2016-12-01

    Full Text Available We study the density-density correlation function of the 1D Lieb-Liniger model and obtain an exact expression for the small momentum limit of the static correlator in the thermodynamic limit. We achieve this by summing exactly over the relevant form factors of the density operator in the small momentum limit. The result is valid for any eigenstate, including thermal and non-thermal states. We also show that the small momentum limit of the dynamic structure factors obeys a generalized detailed balance relation valid for any equilibrium state.

  6. Non-equilibrium ionization by a periodic electron beam. II. Synthetic Si IV and O IV transition region spectra

    Science.gov (United States)

    Dzifčáková, Elena; Dudík, Jaroslav

    2018-03-01

    Context. Transition region (TR) spectra typically show the Si IV 1402.8 Å line to be enhanced by a factor of 5 or more compared to the neighboring O IV 1401.2 Å, contrary to predictions of ionization equilibrium models and the Maxwellian distribution of particle energies. Non-equilibrium effects in TR spectra are therefore expected. Aims: To investigate the combination of non-equilibrium ionization and high-energy particles, we apply the model of the periodic electron beam, represented by a κ-distribution that recurs at periods of several seconds, to plasma at chromospheric temperatures of 104 K. This simple model can approximate a burst of energy release involving accelerated particles. Methods: Instantaneous time-dependent charge states of silicon and oxygen were calculated and used to synthesize the instantaneous and period-averaged spectra of Si IV and O IV. Results: The electron beam drives the plasma out of equilibrium. At electron densities of Ne = 1010 cm-3, the plasma is out of ionization equilibrium at all times in all cases we considered, while for a higher density of Ne = 1011 cm-3, ionization equilibrium can be reached toward the end of each period, depending on the conditions. In turn, the character of the period-averaged synthetic spectra also depends on the properties of the beam. While the case of κ = 2 results in spectra with strong or even dominant O IV, higher values of κ can approximate a range of observed TR spectra. Spectra similar to typically observed spectra, with the Si IV 1402.8 Å line about a factor 5 higher than O IV 1401.2 Å, are obtained for κ = 3. An even higher value of κ = 5 results in spectra that are exclusively dominated by Si IV, with negligible O IV emission. This is a possible interpretation of the TR spectra of UV (Ellerman) bursts, although an interpretation that requires a density that is 1-3 orders of magnitude lower than for equilibrium estimates. Movies associated to Fig. A.1 are available at http://https://www.aanda.org

  7. SDSS-IV MaNGA: environmental dependence of stellar age and metallicity gradients in nearby galaxies

    Science.gov (United States)

    Zheng, Zheng; Wang, Huiyuan; Ge, Junqiang; Mao, Shude; Li, Cheng; Li, Ran; Mo, Houjun; Goddard, Daniel; Bundy, Kevin; Li, Hongyu; Nair, Preethi; Lin, Lihwai; Long, R. J.; Riffel, Rogério; Thomas, Daniel; Masters, Karen; Bizyaev, Dmitry; Brownstein, Joel R.; Zhang, Kai; Law, David R.; Drory, Niv; Roman Lopes, Alexandre; Malanushenko, Olena

    2017-03-01

    We present a study on the stellar age and metallicity distributions for 1105 galaxies using the STARLIGHT software on MaNGA (Mapping Nearby Galaxies at APO) integral field spectra. We derive age and metallicity gradients by fitting straight lines to the radial profiles, and explore their correlations with total stellar mass M*, NUV - r colour and environments, as identified by both the large-scale structure (LSS) type and the local density. We find that the mean age and metallicity gradients are close to zero but slightly negative, which is consistent with the inside-out formation scenario. Within our sample, we find that both the age and metallicity gradients show weak or no correlation with either the LSS type or local density environment. In addition, we also study the environmental dependence of age and metallicity values at the effective radii. The age and metallicity values are highly correlated with M* and NUV - r and are also dependent on LSS type as well as local density. Low-mass galaxies tend to be younger and have lower metallicity in low-density environments while high-mass galaxies are less affected by environment.

  8. Effect of price elasticity of demand in monopolies with gradient adjustment

    International Nuclear Information System (INIS)

    Cavalli, Fausto; Naimzada, Ahmad

    2015-01-01

    Highlights: •A monopoly with isoelastic demand function is studied. •Reduced rationality monopolist uses gradient adjustment. •If marginal cost is small, increasing elasticity leads to stable dynamics. •For large marginal cost, dynamic can be unstable for both small and large elasticity. -- Abstract: We study a monopolistic market characterized by a constant elasticity demand function, in which the firm technology is described by a linear total cost function. The firm is assumed to be boundedly rational and to follow a gradient rule to adjust the production level in order to optimize its profit. We focus on what happens on varying the price elasticity of demand, studying the effect on the equilibrium stability. We prove that, depending on the relation between the market size and the marginal cost, two different scenarios are possible, in which elasticity has either a stabilizing or a mixed stabilizing/destabilizing effect

  9. Thermal equilibrium properties of an intense relativistic electron beam

    International Nuclear Information System (INIS)

    Davidson, R.C.; Uhm, H.S.

    1979-01-01

    The thermal equilibrium properties of an intense relativistic electron beam with distribution function f 0 /sub b/=Z -1 /sub b/exp[-(H-β/sub b/cP/sub z/-ω/sub b/P/sub theta/) /T] are investigated. This choice of f 0 /sub b/ allows for a mean azimuthal rotation of the beam electrons (when ω/sub b/not =0), and corresponds to an important generalization of the distribution function first analyzed by Bennett. Beam equilibrium properties, including axial velocity profile V 0 /sub z/b(r), azimuthal velocity profile V 0 /sub thetab/(r), beam temperature profile T 0 /sub b/(r), beam density profile n 0 /sub b/(r), and equilibrium self-field profiles, are calculated for a broad range of system parameters. For appropriate choice of beam rotation velocity ω/sub b/, it is found that radially confined equilibrium solutions [with n 0 /sub b/(r→infinity) =0] exist even in the absence of a partially neutralizing ion background that weakens the repulsive space-charge force. The necessary and sufficient conditions for radially confined equilibria are ω - /sub b/ + /sub b/ for 0 2 /sub b/p /ω 2 /sub b/c) (1-f-β 2 /sub b/) 2 /sub b/p/ω 2 /sub b/c) (1-f-β 2 /sub b/) <0

  10. Vapour-liquid equilibrium properties for two- and three-dimensional Lennard-Jones fluids from equations of state

    International Nuclear Information System (INIS)

    Mulero, A.; Cuadros, F; Faundez, C.A.

    1999-01-01

    Vapour-liquid equilibrium properties for both three- and two-dimensional Lennard-Jones fluids were obtained using simple cubic-in-density equations of state proposed by the authors. Results were compared with those obtained by other workers from computer simulations and also with results given by other more complex semi-theoretical or semi-empirical equations of state. In the three-dimensional case good agreement is found for all properties and all temperatures. In the two-dimensional case only the coexistence densities were compared, producing good agreement for low temperatures only. The present work is the first to give numerical data for the vapour-liquid equilibrium properties of Lennard-Jones fluids calculated from equations of state. Copyright (1999) CSIRO Australia

  11. Density, viscosity, isothermal (vapour + liquid) equilibrium, excess molar volume, viscosity deviation, and their correlations for chloroform + methyl isobutyl ketone binary system

    International Nuclear Information System (INIS)

    Clara, Rene A.; Gomez Marigliano, Ana C.; Solimo, Horacio N.

    2007-01-01

    Density and viscosity measurements for pure chloroform and methyl isobutyl ketone at T = (283.15, 293.15, 303.15, and 313.15) K as well as for the binary system {x 1 chloroform + (1 - x 1 ) methyl isobutyl ketone} at the same temperatures were made over the whole concentration range. The experimental results were fitted to empirical equations, which permit the calculation of these properties over the whole concentration and temperature ranges studied. Data of the binary mixture were further used to calculate the excess molar volume and viscosity deviation. The (vapour + liquid) equilibrium (VLE) at T = 303.15 K for this binary system was also measured in order to calculate the activity coefficients and the excess molar Gibbs energy. This binary system shows no azeotrope and negative deviations from ideal behaviour. The excess or deviation properties were fitted to the Redlich-Kister polynomial relation to obtain their coefficients and standard deviations

  12. Stable hydrostatic equilibrium configurations of the galaxy and implications for its halo

    International Nuclear Information System (INIS)

    Bloemen, J.B.G.M.

    1987-01-01

    Using a variety of observations, it is shown that the gaseous, magnetic field, and cosmic-ray components in the local region of the Galaxy may be in a large-scale hydrostatic equilibrium that is stable against Parker-type instabilities. Lower limits for the density of the halo are derived as a function of its scale height. The temperature of the hot medium in the disk and at large distances from the plane is found to be typically about a million K in a stable equilibrium, whereas around z roughly 1-3 kpc the temperature could be only 200,000-300,000 K. The scale height of the sum of cosmic-ray and magnetic field pressures in a stable hydrostatic equilibrium state is found to be only weakly dependent on the scale height of the gaseous halo. 109 references

  13. Equilibrium and generators

    International Nuclear Information System (INIS)

    Balter, H.S.

    1994-01-01

    This work studies the behaviour of radionuclides when it produce a desintegration activity,decay and the isotopes stable creation. It gives definitions about the equilibrium between activity of parent and activity of the daughter, radioactive decay,isotope stable and transient equilibrium and maxim activity time. Some considerations had been given to generators that permit a disgregation of two radioisotopes in equilibrium and its good performance. Tabs

  14. Fire Regime Characteristics along Environmental Gradients in Spain

    Directory of Open Access Journals (Sweden)

    María Vanesa Moreno

    2016-11-01

    Full Text Available Concern regarding global change has increased the need to understand the relationship between fire regime characteristics and the environment. Pyrogeographical theory suggests that fire regimes are constrained by climate, vegetation and fire ignition processes, but it is not obvious how fire regime characteristics are related to those factors. We used a three-matrix approach with a multivariate statistical methodology that combined an ordination method and fourth-corner analysis for hypothesis testing to investigate the relationship between fire regime characteristics and environmental gradients across Spain. Our results suggest that fire regime characteristics (i.e., density and seasonality of fire activity are constrained primarily by direct gradients based on climate, population, and resource gradients based on forest potential productivity. Our results can be used to establish a predictive model for how fire regimes emerge in order to support fire management, particularly as global environmental changes impact fire regime characteristics.

  15. A numerical solution for a toroidal plasma in equilibrium

    International Nuclear Information System (INIS)

    Hintz, E.; Sudano, J.P.

    1982-01-01

    The iterative techniques alternating direction implicit (ADI), sucessive ove-relaxation (SOR) and Gauss-Seidel are applied to a nonlinear elliptical second order differential equation (Grand-Shafranov). This equation was solve with the free boundary conditions plasma-vacuum interface over a rectangular section in cylindrical coordinates R and Z. The current density profile, plasma pressure profile, magnetic and isobaric surfaces are numerically determined for a toroidal plasma in equilibrium. (L.C.) [pt

  16. Lower bounds for ballistic current and noise in non-equilibrium quantum steady states

    Directory of Open Access Journals (Sweden)

    Benjamin Doyon

    2015-03-01

    Full Text Available Let an infinite, homogeneous, many-body quantum system be unitarily evolved for a long time from a state where two halves are independently thermalized. One says that a non-equilibrium steady state emerges if there are nonzero steady currents in the central region. In particular, their presence is a signature of ballistic transport. We analyze the consequences of the current observable being a conserved density; near equilibrium this is known to give rise to linear wave propagation and a nonzero Drude peak. Using the Lieb–Robinson bound, we derive, under a certain regularity condition, a lower bound for the non-equilibrium steady-state current determined by equilibrium averages. This shows and quantifies the presence of ballistic transport far from equilibrium. The inequality suggests the definition of “nonlinear sound velocities”, which specialize to the sound velocity near equilibrium in non-integrable models, and “generalized sound velocities”, which encode generalized Gibbs thermalization in integrable models. These are bounded by the Lieb–Robinson velocity. The inequality also gives rise to a bound on the energy current noise in the case of pure energy transport. We show that the inequality is satisfied in many models where exact results are available, and that it is saturated at one-dimensional criticality.

  17. Time-dependent free boundary equilibrium and resistive diffusion in a tokamak plasma

    International Nuclear Information System (INIS)

    Selig, G.

    2012-12-01

    In a Tokamak, in order to create the necessary conditions for nuclear fusion to occur, a plasma is maintained by applying magnetic fields. Under the hypothesis of an axial symmetry of the tokamak, the study of the magnetic configuration at equilibrium is done in two dimensions, and is deduced from the poloidal flux function. This function is solution of a non linear partial differential equation system, known as equilibrium problem. This thesis presents the time dependent free boundary equilibrium problem, where the circuit equations in the tokamak coils and passive conductors are solved together with the Grad-Shafranov equation to produce a dynamic simulation of the plasma. In this framework, the Finite Element equilibrium code CEDRES has been improved in order to solve the aforementioned dynamic problem. Consistency tests and comparisons with the DINA-CH code on an ITER vertical instability case have validated the results. Then, the resistive diffusion of the plasma current density has been simulated using a coupling between CEDRES and the averaged one-dimensional diffusion equation, and it has been successfully compared with the integrated modeling code CRONOS. (author)

  18. A class of almost equilibrium states in Robertson-Walker spacetimes

    Energy Technology Data Exchange (ETDEWEB)

    Kueskue, Muharrem

    2008-11-06

    In quantum field theory in curved spacetimes the construction of the algebra of observables of linear fields is today well understood. However, it remains a non-trivial task to construct physically meaningful states on the algebra. For instance, we are in the unsatisfactory situation that there exist no examples of states suited to describe local thermal equilibrium in a non-stationary spacetime. In this thesis, we construct a class of states for the Klein-Gordon field in Robertson-Walker spacetimes, which seem to provide the first example of thermal states in a spacetime without time translation symmetry. More precisely, in the setting of real, linear, scalar fields in Robertson-Walker spacetimes we define on the set of homogeneous, isotropic, quasi-free states a free energy functional that is based on the averaged energy density measured by an isotropic observer along his worldline. This functional is well defined and lower bounded by a suitable quantum energy inequality. Subsequently, we minimize this functional and obtain states that we interpret as 'almost equilibrium states'. It turns out that the states of low energy are the ground states of the almost equilibrium states. Finally, we prove that the almost equilibrium states satisfy the Hadamard condition, which qualifies them as physically meaningful states. (orig.)

  19. A class of almost equilibrium states in Robertson-Walker spacetimes

    International Nuclear Information System (INIS)

    Kueskue, Muharrem

    2008-01-01

    In quantum field theory in curved spacetimes the construction of the algebra of observables of linear fields is today well understood. However, it remains a non-trivial task to construct physically meaningful states on the algebra. For instance, we are in the unsatisfactory situation that there exist no examples of states suited to describe local thermal equilibrium in a non-stationary spacetime. In this thesis, we construct a class of states for the Klein-Gordon field in Robertson-Walker spacetimes, which seem to provide the first example of thermal states in a spacetime without time translation symmetry. More precisely, in the setting of real, linear, scalar fields in Robertson-Walker spacetimes we define on the set of homogeneous, isotropic, quasi-free states a free energy functional that is based on the averaged energy density measured by an isotropic observer along his worldline. This functional is well defined and lower bounded by a suitable quantum energy inequality. Subsequently, we minimize this functional and obtain states that we interpret as 'almost equilibrium states'. It turns out that the states of low energy are the ground states of the almost equilibrium states. Finally, we prove that the almost equilibrium states satisfy the Hadamard condition, which qualifies them as physically meaningful states. (orig.)

  20. Two methods for isolating the lung area of a CT scan for density information

    International Nuclear Information System (INIS)

    Hedlund, L.W.; Anderson, R.F.; Goulding, P.L.; Beck, J.W.; Effmann, E.L.; Putman, C.E.

    1982-01-01

    Extracting density information from irregularly shaped tissue areas of CT scans requires automated methods when many scans are involved. We describe two computer methods that automatically isolate the lung area of a CT scan. Each starts from a single, operator specified point in the lung. The first method follows the steep density gradient boundary between lung and adjacent tissues; this tracking method is useful for estimating the overall density and total area of lung in a scan because all pixels within the lung area are available for statistical sampling. The second method finds all contiguous pixels of lung that are within the CT number range of air to water and are not a part of strong density gradient edges; this method is useful for estimating density and area of the lung parenchyma. Structures within the lung area that are surrounded by strong density gradient edges, such as large blood vessels, airways and nodules, are excluded from the lung sample while lung areas with diffuse borders, such as an area of mild or moderate edema, are retained. Both methods were tested on scans from an animal model of pulmonary edema and were found to be effective in isolating normal and diseased lungs. These methods are also suitable for isolating other organ areas of CT scans that are bounded by density gradient edges

  1. Chemical Principles Revisited: Chemical Equilibrium.

    Science.gov (United States)

    Mickey, Charles D.

    1980-01-01

    Describes: (1) Law of Mass Action; (2) equilibrium constant and ideal behavior; (3) general form of the equilibrium constant; (4) forward and reverse reactions; (5) factors influencing equilibrium; (6) Le Chatelier's principle; (7) effects of temperature, changing concentration, and pressure on equilibrium; and (8) catalysts and equilibrium. (JN)

  2. 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

  3. BCS Theory of Hadronic Matter at High Densities

    DEFF Research Database (Denmark)

    Bohr, Henrik; Panda, Prafulla K.; Providencia, Constanca

    2012-01-01

    The equilibrium between the so-called 2SC and CFL phases of strange quark matter at high densities is investigated in the framework of a simple schematic model of the NJL type. Equal densities are assumed for quarks u, d and s. The 2SC phase is here described by a color-flavor symmetric state, in...

  4. C library for topological study of the electronic charge density.

    Science.gov (United States)

    Vega, David; Aray, Yosslen; Rodríguez, Jesús

    2012-12-05

    The topological study of the electronic charge density is useful to obtain information about the kinds of bonds (ionic or covalent) and the atom charges on a molecule or crystal. For this study, it is necessary to calculate, at every space point, the electronic density and its electronic density derivatives values up to second order. In this work, a grid-based method for these calculations is described. The library, implemented for three dimensions, is based on a multidimensional Lagrange interpolation in a regular grid; by differentiating the resulting polynomial, the gradient vector, the Hessian matrix and the Laplacian formulas were obtained for every space point. More complex functions such as the Newton-Raphson method (to find the critical points, where the gradient is null) and the Cash-Karp Runge-Kutta method (used to make the gradient paths) were programmed. As in some crystals, the unit cell has angles different from 90°, the described library includes linear transformations to correct the gradient and Hessian when the grid is distorted (inclined). Functions were also developed to handle grid containing files (grd from DMol® program, CUBE from Gaussian® program and CHGCAR from VASP® program). Each one of these files contains the data for a molecular or crystal electronic property (such as charge density, spin density, electrostatic potential, and others) in a three-dimensional (3D) grid. The library can be adapted to make the topological study in any regular 3D grid by modifying the code of these functions. Copyright © 2012 Wiley Periodicals, Inc.

  5. Para-equilibrium phase diagrams

    International Nuclear Information System (INIS)

    Pelton, Arthur D.; Koukkari, Pertti; Pajarre, Risto; Eriksson, Gunnar

    2014-01-01

    Highlights: • A rapidly cooled system may attain a state of para-equilibrium. • In this state rapidly diffusing elements reach equilibrium but others are immobile. • Application of the Phase Rule to para-equilibrium phase diagrams is discussed. • A general algorithm to calculate para-equilibrium phase diagrams is described. - Abstract: If an initially homogeneous system at high temperature is rapidly cooled, a temporary para-equilibrium state may result in which rapidly diffusing elements have reached equilibrium but more slowly diffusing elements have remained essentially immobile. The best known example occurs when homogeneous austenite is quenched. A para-equilibrium phase assemblage may be calculated thermodynamically by Gibbs free energy minimization under the constraint that the ratios of the slowly diffusing elements are the same in all phases. Several examples of calculated para-equilibrium phase diagram sections are presented and the application of the Phase Rule is discussed. Although the rules governing the geometry of these diagrams may appear at first to be somewhat different from those for full equilibrium phase diagrams, it is shown that in fact they obey exactly the same rules with the following provision. Since the molar ratios of non-diffusing elements are the same in all phases at para-equilibrium, these ratios act, as far as the geometry of the diagram is concerned, like “potential” variables (such as T, pressure or chemical potentials) rather than like “normal” composition variables which need not be the same in all phases. A general algorithm to calculate para-equilibrium phase diagrams is presented. In the limit, if a para-equilibrium calculation is performed under the constraint that no elements diffuse, then the resultant phase diagram shows the single phase with the minimum Gibbs free energy at any point on the diagram; such calculations are of interest in physical vapor deposition when deposition is so rapid that phase

  6. A statistical mechanical model for equilibrium ionization

    International Nuclear Information System (INIS)

    Macris, N.; Martin, P.A.; Pule, J.

    1990-01-01

    A quantum electron interacts with a classical gas of hard spheres and is in thermal equilibrium with it. The interaction is attractive and the electron can form a bound state with the classical particles. It is rigorously shown that in a well defined low density and low temperature limit, the ionization probability for the electron tends to the value predicted by the Saha formula for thermal ionization. In this regime, the electron is found to be in a statistical mixture of a bound and a free state. (orig.)

  7. Measuring productivity differences in equilibrium search models

    DEFF Research Database (Denmark)

    Lanot, Gauthier; Neumann, George R.

    1996-01-01

    Equilibrium search models require unobserved heterogeneity in productivity to fit observed wage distribution data, but provide no guidance about the location parameter of the heterogeneity. In this paper we show that the location of the productivity heterogeneity implies a mode in a kernel density...... estimate of the wage distribution. The number of such modes and their location are identified using bump hunting techniques due to Silverman (1981). These techniques are applied to Danish panel data on workers and firms. These estimates are used to assess the importance of employer wage policy....

  8. Asymmetric transmission of acoustic waves in a layer thickness distribution gradient structure using metamaterials

    Directory of Open Access Journals (Sweden)

    Jung-San Chen

    2016-09-01

    Full Text Available This research presents an innovative asymmetric transmission design using alternate layers of water and metamaterial with complex mass density. The directional transmission behavior of acoustic waves is observed numerically inside the composite structure with gradient layer thickness distribution and the rectifying performance of the present design is evaluated. The layer thickness distributions with arithmetic and geometric gradients are considered and the effect of gradient thickness on asymmetric wave propagation is systematically investigated using finite element simulation. The numerical results indicate that the maximum pressure density and transmission through the proposed structure are significantly influenced by the wave propagation direction over a wide range of audible frequencies. Tailoring the thickness of the layered structure enables the manipulation of asymmetric wave propagation within the desired frequency range. In conclusion, the proposed design offers a new possibility for developing directional-dependent acoustic devices.

  9. Effect of cell density on adipogenic differentiation of mesenchymal stem cells

    International Nuclear Information System (INIS)

    Lu, Hongxu; Guo, Likun; Wozniak, Michal J.; Kawazoe, Naoki; Tateishi, Tetsuya; Zhang, Xingdong; Chen, Guoping

    2009-01-01

    The effect of cell density on the adipogenic differentiation of human bone marrow-derived mesenchymal stem cells (MSCs) was investigated by using a patterning technique to induce the formation of a cell density gradient on a micropatterned surface. The adipogenic differentiation of MSCs at a density gradient from 5 x 10 3 to 3 x 10 4 cells/cm 2 was examined. Lipid vacuoles were observed at all cell densities after 1-3 weeks of culture in adipogenic differentiation medium although the lipid vacuoles were scarce at the low cell density and abundant at the high cell density. Real-time RT-PCR analysis showed that adipogenesis marker genes encoding peroxisome proliferator-activated receptor γ2 (PPARγ2), lipoprotein lipase (LPL), and fatty acid binding protein-4 (FABP4) were detected in the MSCs cultured at all cell densities. The results suggest that there was no apparent effect of cell density on the adipogenic differentiation of human MSCs.

  10. A spiral, bi-planar gradient coil design for open magnetic resonance imaging.

    Science.gov (United States)

    Zhang, Peng; Shi, Yikai; Wang, Wendong; Wang, Yaohui

    2018-01-01

    To design planar gradient coil for MRI applications without discretization of continuous current density and loop-loop connection errors. In the new design method, the coil current is represented using a spiral curve function described by just a few control parameters. Using a proper parametric equation set, an ensemble of spiral contours is reshaped to satisfy the coil design requirements, such as gradient linearity, inductance and shielding. In the given case study, by using the spiral coil design, the magnetic field errors in the imaging area were reduced from 5.19% (non-spiral design) to 4.47% (spiral design) for the transverse gradient coils, and for the longitudinal gradient coil design, the magnetic field errors were reduced to 5.02% (spiral design). The numerical evaluation shows that when compared with conventional wire loop, the inductance and resistance of spiral coil was reduced by 11.55% and 8.12% for x gradient coil, respectively. A novel spiral gradient coil design for biplanar MRI systems, the new design offers better magnetic field gradients, smooth contours than the conventional connected counterpart, which improves manufacturability.

  11. 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 ...

  12. Development and validation of a critical gradient energetic particle driven Alfven eigenmode transport model for DIII-D tilted neutral beam experiments

    Science.gov (United States)

    Waltz, R. E.; Bass, E. M.; Heidbrink, W. W.; VanZeeland, M. A.

    2015-11-01

    Recent experiments with the DIII-D tilted neutral beam injection (NBI) varying the beam energetic particle (EP) source profiles have provided strong evidence that unstable Alfven eigenmodes (AE) drive stiff EP transport at a critical EP density gradient [Heidbrink et al 2013 Nucl. Fusion 53 093006]. Here the critical gradient is identified by the local AE growth rate being equal to the local ITG/TEM growth rate at the same low toroidal mode number. The growth rates are taken from the gyrokinetic code GYRO. Simulation show that the slowing down beam-like EP distribution has a slightly lower critical gradient than the Maxwellian. The ALPHA EP density transport code [Waltz and Bass 2014 Nucl. Fusion 54 104006], used to validate the model, combines the low-n stiff EP critical density gradient AE mid-core transport with the Angioni et al (2009 Nucl. Fusion 49 055013) energy independent high-n ITG/TEM density transport model controling the central core EP density profile. For the on-axis NBI heated DIII-D shot 146102, while the net loss to the edge is small, about half the birth fast ions are transported from the central core r/a  <  0.5 and the central density is about half the slowing down density. These results are in good agreement with experimental fast ion pressure profiles inferred from MSE constrained EFIT equilibria.

  13. Effect of magnetic configuration on density fluctuation and particle transport in LHD

    International Nuclear Information System (INIS)

    Tanaka, K.; Michael, C.; Yamagishi, O.; Ida, K.; Yamada, H.; Yoshinuma, M.; Yokoyama, M.; Miyazawa, J.; Morita, S.; Kawahata, K.; Tokzawa, T.; Shoji, M.; Vyacheslavov, L.N.; Sanin, A.L.

    2005-01-01

    The study of fluctuations and particle transport is important issue in heliotron and stellarator devices as well as in tokamaks. A two dimensional phase contrast interferometer (2D PCI) was developed to investigate fluctuation characteristics, which play role in confinement. The current 2D PCI can detect fluctuations for which -1 0.3 -1 and 5< f<500kHz. With the use of magnetic shear and the 2D detector, the spatial resolution around 20% of averaged minor radius is possible presently. The strongest fluctuations are localized in the plasma edge, where density gradients are negative, but fluctuations also exist in the positive density gradient region of the hollow density profile. The phase velocity of fluctuations in the positive gradient region is close to plasma ErxBt rotation. On the other hand, fluctuations in the negative density gradient region propagate in the ion diamagnetic direction in the plasma frame and do not follow ErxBt rotation. This suggests there is a different nature of the fluctuations in the positive and negative density gradient regions. A particle transport was studied by means of density modulation experiments. The systematic study was done at Rax=3.6m, which is so-called standard configuration. The density profiles vary from peaked to hollow with increasing heating power. It was also found that particle diffusion and convection are functions of electron temperature and its gradient respectively. The magnetic configuration is another parameter, which characterizes particle confinement. At more outward shifted configurations, helical ripple becomes larger and the ergodic region becomes thicker, then neoclassical transport becomes larger. However estimated diffusion coefficients are still around one order of magnitude larger than neoclassical values in edge region, where ρ = 0.7 ∼ 1.0 and they are larger at more outward configurations. At the same time the convection velocity is found to be comparable with neoclassical prediction at Rax=3

  14. Two-proton correlation functions for equilibrium and non-equilibrium emission

    International Nuclear Information System (INIS)

    Gong, W.G.; Gelbke, C.K.; Carlin, N.; De Souza, R.T.; Kim, Y.D.; Lynch, W.G.; Murakami, T.; Poggi, G.; Sanderson, D.; Tsang, M.B.; Xu, H.M.; Michigan State Univ., East Lansing; Fields, D.E.; Kwiatkowski, K.; Planeta, R.; Viola, V.E. Jr.; Yennello, S.J.; Indiana Univ., Bloomington; Indiana Univ., Bloomington; Pratt, S.

    1990-01-01

    Two-proton correlation functions are compared for equilibrium and non-equilibrium emission processes investigated, respectively, in ''reverse kinematics'' for the reactions 129 Xe+ 27 Al and 129 Xe+ 122 Sn at E/A=31 MeV and in ''forward kinematics'' for the reaction 14 N+ 197 Au at E/A=75 MeV. Observed differences in the shapes of the correlation functions are understood in terms of the different time scales for equilibrium and preequilibrium emission. Transverse and longitudinal correlation functions are very similar. (orig.)

  15. Existence of equilibrium states of hollow elastic cylinders submerged in a fluid

    Directory of Open Access Journals (Sweden)

    M. B. M. Elgindi

    1992-01-01

    Full Text Available This paper is concerned with the existence of equilibrium states of thin-walled elastic, cylindrical shell fully or partially submerged in a fluid. This problem obviously serves as a model for many problems with engineering importance. Previous studies on the deformation of the shell have assumed that the pressure due to the fluid is uniform. This paper takes into consideration the non-uniformity of the pressure by taking into account the effect of gravity. The presence of a pressure gradient brings additional parameters to the problem which in turn lead to the consideration of several boundary value problems.

  16. Calculation of the mechanical equilibrium in a lattice of deformed hexagonal subassemblies

    International Nuclear Information System (INIS)

    Bernard, A.

    1979-01-01

    Stainless steel swelling and irradiation creep in the hexagonal wrappers of fast breeder cores induce deformations (mostly bowing), hence mutual interaction (displacements, forces and stresses, which must be calculated). The HARMONIE code was developed to meet these requirements. In this three dimensional code, one minimizes the elastic potential bending energy (quadratic form), with given linear conditions (no overlapping between adjacent subassemblies). The convergence of this function is obtained through a numerical method (parallel gradient). The free bowing of the subassemblies are given as input datas; the output gives the equilibrium displacements and forces while stresses are calculated in a classical manner

  17. 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.

  18. Mechanisms for ITB formation and control in Alcator C-Mod identified through gyrokinetic simulations of TEM turbulence

    International Nuclear Information System (INIS)

    Ernst, D.R.; Basse, N.; Bonoli, P.T.; Catto, P.J.; Fiore, C.L.; Greenwald, M.; Hubbard, A.E.; Marmar, E.S.; Porkolab, M.; Rice, J.E.; Zeller, K.; Zhurovich, K.; Dorland, W.

    2005-01-01

    Internal particle and thermal energy transport barriers are produced in Alcator C-Mod with off-axis ICRF heating, with core densities exceeding 10 21 m -3 , without core fueling, and with little change in the temperature profile. Applying on-axis ICRF heating controls the core density gradient and rate of rise. The present study employs linear and nonlinear gyrokinetic simulations of trapped electron mode (TEM) turbulence to explore mechanisms for ITB formation and control in Alcator C-Mod ITB experiments. Anomalous pinches are found to be negligible in our simulations; further, the collisional Ware pinch is sufficient to account for the slow density rise, lasting many energy confinement times. The simulations have revealed new nonlinear physics of TEM turbulence. The critical density gradient for onset of TEM turbulent transport is nonlinearly up-shifted by zonal flows. As the density profile peaks, during ITB formation, this nonlinear critical gradient is eventually exceeded, and the turbulent particle diffusivity from GS2 gyrokinetic simulations matches the particle diffusivity from transport analysis, within experimental errors. A stable equilibrium is then established when the TEM turbulent diffusion balances the Ware pinch in the ITB. This equilibrium is sensitive to temperature through gyroBohm scaling of the TEM turbulent transport, and the collisionality dependence of the neoclassical pinch, providing for control of the density rate of rise with on-axis RF heating. With no core particle fueling, and ∼1 mm between density spatial channels, the C-Mod experiments provide a nearly ideal test bed for particle transport studies. The pure TEM is the only unstable drift mode in the ITB, producing particle transport driven by the density gradient. (author)

  19. MHD equilibrium with toroidal rotation

    International Nuclear Information System (INIS)

    Li, J.

    1987-03-01

    The present work attempts to formulate the equilibrium of axisymmetric plasma with purely toroidal flow within ideal MHD theory. In general, the inertial term Rho(v.Del)v caused by plasma flow is so complicated that the equilibrium equation is completely different from the Grad-Shafranov equation. However, in the case of purely toroidal flow the equilibrium equation can be simplified so that it resembles the Grad-Shafranov equation. Generally one arbitrary two-variable functions and two arbitrary single variable functions, instead of only four single-variable functions, are allowed in the new equilibrium equations. Also, the boundary conditions of the rotating (with purely toroidal fluid flow, static - without any fluid flow) equilibrium are the same as those of the static equilibrium. So numerically one can calculate the rotating equilibrium as a static equilibrium. (author)

  20. 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.

  1. Equilibrium and non equilibrium in fragmentation

    International Nuclear Information System (INIS)

    Dorso, C.O.; Chernomoretz, A.; Lopez, J.A.

    2001-01-01

    Full text: In this communication we present recent results regarding the interplay of equilibrium and non equilibrium in the process of fragmentation of excited finite Lennard Jones drops. Because the general features of such a potential resemble the ones of the nuclear interaction (fact that is reinforced by the similarity between the EOS of both systems) these studies are not only relevant from a fundamental point of view but also shed light on the problem of nuclear multifragmentation. We focus on the microscopic analysis of the state of the fragmenting system at fragmentation time. We show that the Caloric Curve (i e. the functional relationship between the temperature of the system and the excitation energy) is of the type rise plateau with no vapor branch. The usual rise plateau rise pattern is only recovered when equilibrium is artificially imposed. This result puts a serious question on the validity of the freeze out hypothesis. This feature is independent of the dimensionality or excitation mechanism. Moreover we explore the behavior of magnitudes which can help us determine the degree of the assumed phase transition. It is found that no clear cut criteria is presently available. (Author)

  2. 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

  3. Thickness evaluation using a new relationship between film density and penetrated thickness in radiography

    International Nuclear Information System (INIS)

    Lee, Sung Sik; Kim, Young H.

    2005-01-01

    In order to improve the accuracies in the thickness evaluation using radiography, a new relationship between film density and penetrated thickness has been proposed, and experimental verification of the proposed relationship was carried out by using the X- and γ-ray radiographs of two carbon steel step wedges. A new parameter, the logarithmic gradient of film density, was defined in order to express the characteristics of the radiographic film for wider range of film density. A new relationship between the film density and the penetrated thickness were formulated using the logarithmic gradient of the film density. In experiment, the logarithmic gradient of the film density was independent on both the exposure and the film density and measured for the radiographic film used in the present work from the slope of the fitting lines for the same penetrated thickness. Experimental results verifies the accuracy of the proposed relationship between film density and the penetrated thickness for the range of film density from 1.0 to 3.5. The thickness can be more accurately determined by using the proposed relationship and the parameters determined by experiment. It is also found that the γ-ray having simple energy spectrum is more appropriate radiation source for the evaluation of the thickness from the film density of the radiograph

  4. Experimental study of particle transport and density fluctuation in LHD

    International Nuclear Information System (INIS)

    Tanaka, K.; Morita, S.; Sanin, A.; Michael, C.; Kawahata, K.; Yamada, H.; Miyazawa, J.; Tokuzawa, T.; Akiyama, T.; Goto, M.; Ida, K.; Yoshinuma, M.; Narihara, K.; Yamada, I.; Yokoyama, M.; Masuzaki, S.; Morisaki, T.; Sakamoto, R.; Funaba, H.; Komori, A.; Vyacheslavov, L.N.; Murakami, S.; Wakasa, A.

    2005-01-01

    A variety of electron density (n e ) profiles have been observed in Large Helical Device (LHD). The density profiles change dramatically with heating power and toroidal magnetic field (B t ) under the same line averaged density. The particle transport coefficients, i.e., diffusion coefficient (D) and convection velocity (V) are experimentally obtained from density modulation experiments in the standard configuration. The values of D and V are estimated separately at the core and edge. The diffusion coefficients are strong function of electron temperature (T e ) and are proportional to T e 1.7±0.9 in core and T e 1.1±0.14 in edge. And edge diffusion coefficients are proportional to B t -2.08 . It is found that the scaling of D in edge is close to gyro-Bohm-like in nature. The existence of non-zero V is observed. It is observed that the electron temperature (T e ) gradient can drive particle convection. This is particularly clear in the core region. The convection velocity in the core region reverses direction from inward to outward as the T e gradient increases. In the edge, the convection is inward directed in the most of the case of the present data set. And it shows modest tendency, whose value is proportional to T e gradient keeping inward direction. However, the toroidal magnetic field also significantly affects value and direction of V. The spectrum of density fluctuation changes at different heating power suggesting that it has an influence on particle transport. The peak wavenumber is around 0.1 times the inversed ion Larmor radius, as is expected from gyro-Bohm diffusion. The peaks of fluctuation intensity are localized at the plasma edge, where density gradient becomes negative and diffusion contributes most to the particle flux. These results suggest a qualitative correlation of fluctuations with particle diffusion. (author)

  5. Equilibrium polymerization of cyclic carbonate oligomers. III. Chain branching and the gel transition

    Science.gov (United States)

    Ballone, P.; Jones, R. O.

    2002-10-01

    Ring-opening polymerization of cyclic polycarbonate oligomers, where monofunctional active sites act on difunctional monomers to produce an equilibrium distribution of rings and chains, leads to a "living polymer." Monte Carlo simulations [two-dimensional (2D) and three-dimensional (3D)] of the effects of single [J. Chem. Phys. 115, 3895 (2001)] and multiple active sites [J. Chem. Phys. 116, 7724 (2002)] are extended here to trifunctional active sites that lead to branching. Low concentrations of trifunctional particles c3 reduce the degree of polymerization significantly in 2D, and higher concentrations (up to 32%) lead to further large changes in the phase diagram. Gel formation is observed at high total density and sizable c3 as a continuous transition similar to percolation. Polymer and gel are much more stable in 3D than in 2D, and both the total density and the value of c3 required to produce high molecular weight aggregates are reduced significantly. The degree of polymerization in high-density 3D systems is increased by the addition of trifunctional monomers and reduced slightly at low densities and low c3. The presence of branching makes equilibrium states more sensitive (in 2D and 3D) to changes in temperature T. The stabilities of polymer and gel are enhanced by increasing T, and—for sufficiently high values of c3—there is a reversible polymer-gel transformation at a density-dependent floor temperature.

  6. Non-equilibrium Economics

    Directory of Open Access Journals (Sweden)

    Katalin Martinás

    2007-02-01

    Full Text Available A microeconomic, agent based framework to dynamic economics is formulated in a materialist approach. An axiomatic foundation of a non-equilibrium microeconomics is outlined. Economic activity is modelled as transformation and transport of commodities (materials owned by the agents. Rate of transformations (production intensity, and the rate of transport (trade are defined by the agents. Economic decision rules are derived from the observed economic behaviour. The non-linear equations are solved numerically for a model economy. Numerical solutions for simple model economies suggest that the some of the results of general equilibrium economics are consequences only of the equilibrium hypothesis. We show that perfect competition of selfish agents does not guarantee the stability of economic equilibrium, but cooperativity is needed, too.

  7. Effects of low central fuelling on density and ion temperature profiles in reversed shear plasmas on JT-60U

    Energy Technology Data Exchange (ETDEWEB)

    Takenaga, H; Ide, S; Sakamoto, Y; Fujita, T [Japan Atomic Energy Agency, Naka Ibaraki 311-0193 (Japan)], E-mail: takenaga.hidenobu@jaea.go.jp

    2008-07-15

    Effects of low central fuelling on density and ion temperature profiles have been investigated using negative ion based neutral beam injection and electron cyclotron heating (ECH) in reversed shear plasmas on JT-60U. Strong internal transport barrier (ITB) was maintained in density and ion temperature profiles, when central fuelling was decreased by switching positive ion based neutral beam injection to ECH after the strong ITB formation. Similar density and ion temperature ITBs were formed for the low and high central fuelling cases during the plasma current ramp-up phase. Strong correlation between the density gradient and the ion temperature gradient was observed, indicating that particle transport and ion thermal transport are strongly coupled or the density gradient assists the ion temperature ITB formation through suppression of drift wave instabilities such as ion temperature gradient mode. These results support that the density and ion temperature ITBs can be formed under reactor relevant conditions.

  8. Effects of low central fuelling on density and ion temperature profiles in reversed shear plasmas on JT-60U

    Science.gov (United States)

    Takenaga, H.; Ide, S.; Sakamoto, Y.; Fujita, T.; JT-60 Team

    2008-07-01

    Effects of low central fuelling on density and ion temperature profiles have been investigated using negative ion based neutral beam injection and electron cyclotron heating (ECH) in reversed shear plasmas on JT-60U. Strong internal transport barrier (ITB) was maintained in density and ion temperature profiles, when central fuelling was decreased by switching positive ion based neutral beam injection to ECH after the strong ITB formation. Similar density and ion temperature ITBs were formed for the low and high central fuelling cases during the plasma current ramp-up phase. Strong correlation between the density gradient and the ion temperature gradient was observed, indicating that particle transport and ion thermal transport are strongly coupled or the density gradient assists the ion temperature ITB formation through suppression of drift wave instabilities such as ion temperature gradient mode. These results support that the density and ion temperature ITBs can be formed under reactor relevant conditions.

  9. A Strategic-Equilibrium Based

    Directory of Open Access Journals (Sweden)

    Gabriel J. Turbay

    2011-03-01

    Full Text Available The strategic equilibrium of an N-person cooperative game with transferable utility is a system composed of a cover collection of subsets of N and a set of extended imputations attainable through such equilibrium cover. The system describes a state of coalitional bargaining stability where every player has a bargaining alternative against any other player to support his corresponding equilibrium claim. Any coalition in the sable system may form and divide the characteristic value function of the coalition as prescribed by the equilibrium payoffs. If syndicates are allowed to form, a formed coalition may become a syndicate using the equilibrium payoffs as disagreement values in bargaining for a part of the complementary coalition incremental value to the grand coalition when formed. The emergent well known-constant sum derived game in partition function is described in terms of parameters that result from incumbent binding agreements. The strategic-equilibrium corresponding to the derived game gives an equal value claim to all players.  This surprising result is alternatively explained in terms of strategic-equilibrium based possible outcomes by a sequence of bargaining stages that when the binding agreements are in the right sequential order, von Neumann and Morgenstern (vN-M non-discriminatory solutions emerge. In these solutions a preferred branch by a sufficient number of players is identified: the weaker players syndicate against the stronger player. This condition is referred to as the stronger player paradox.  A strategic alternative available to the stronger players to overcome the anticipated not desirable results is to voluntarily lower his bargaining equilibrium claim. In doing the original strategic equilibrium is modified and vN-M discriminatory solutions may occur, but also a different stronger player may emerge that has eventually will have to lower his equilibrium claim. A sequence of such measures converges to the equal

  10. Modelling interactions of toxicants and density dependence in wildlife populations

    Science.gov (United States)

    Schipper, Aafke M.; Hendriks, Harrie W.M.; Kauffman, Matthew J.; Hendriks, A. Jan; Huijbregts, Mark A.J.

    2013-01-01

    1. A major challenge in the conservation of threatened and endangered species is to predict population decline and design appropriate recovery measures. However, anthropogenic impacts on wildlife populations are notoriously difficult to predict due to potentially nonlinear responses and interactions with natural ecological processes like density dependence. 2. Here, we incorporated both density dependence and anthropogenic stressors in a stage-based matrix population model and parameterized it for a density-dependent population of peregrine falcons Falco peregrinus exposed to two anthropogenic toxicants [dichlorodiphenyldichloroethylene (DDE) and polybrominated diphenyl ethers (PBDEs)]. Log-logistic exposure–response relationships were used to translate toxicant concentrations in peregrine falcon eggs to effects on fecundity. Density dependence was modelled as the probability of a nonbreeding bird acquiring a breeding territory as a function of the current number of breeders. 3. The equilibrium size of the population, as represented by the number of breeders, responded nonlinearly to increasing toxicant concentrations, showing a gradual decrease followed by a relatively steep decline. Initially, toxicant-induced reductions in population size were mitigated by an alleviation of the density limitation, that is, an increasing probability of territory acquisition. Once population density was no longer limiting, the toxicant impacts were no longer buffered by an increasing proportion of nonbreeders shifting to the breeding stage, resulting in a strong decrease in the equilibrium number of breeders. 4. Median critical exposure concentrations, that is, median toxicant concentrations in eggs corresponding with an equilibrium population size of zero, were 33 and 46 μg g−1 fresh weight for DDE and PBDEs, respectively. 5. Synthesis and applications. Our modelling results showed that particular life stages of a density-limited population may be relatively insensitive to

  11. Ion exchange equilibrium constants

    CERN Document Server

    Marcus, Y

    2013-01-01

    Ion Exchange Equilibrium Constants focuses on the test-compilation of equilibrium constants for ion exchange reactions. The book first underscores the scope of the compilation, equilibrium constants, symbols used, and arrangement of the table. The manuscript then presents the table of equilibrium constants, including polystyrene sulfonate cation exchanger, polyacrylate cation exchanger, polymethacrylate cation exchanger, polysterene phosphate cation exchanger, and zirconium phosphate cation exchanger. The text highlights zirconium oxide anion exchanger, zeolite type 13Y cation exchanger, and

  12. 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

  13. Effects of Network Characteristics on Reaching the Payoff-Dominant Equilibrium in Coordination Games: A Simulation study.

    Science.gov (United States)

    Buskens, Vincent; Snijders, Chris

    2016-01-01

    We study how payoffs and network structure affect reaching the payoff-dominant equilibrium in a [Formula: see text] coordination game that actors play with their neighbors in a network. Using an extensive simulation analysis of over 100,000 networks with 2-25 actors, we show that the importance of network characteristics is restricted to a limited part of the payoff space. In this part, we conclude that the payoff-dominant equilibrium is chosen more often if network density is larger, the network is more centralized, and segmentation of the network is smaller. Moreover, it is more likely that heterogeneity in behavior persists if the network is more segmented and less centralized. Persistence of heterogeneous behavior is not related to network density.

  14. Probability Density Estimation Using Neural Networks in Monte Carlo Calculations

    International Nuclear Information System (INIS)

    Shim, Hyung Jin; Cho, Jin Young; Song, Jae Seung; Kim, Chang Hyo

    2008-01-01

    The Monte Carlo neutronics analysis requires the capability for a tally distribution estimation like an axial power distribution or a flux gradient in a fuel rod, etc. This problem can be regarded as a probability density function estimation from an observation set. We apply the neural network based density estimation method to an observation and sampling weight set produced by the Monte Carlo calculations. The neural network method is compared with the histogram and the functional expansion tally method for estimating a non-smooth density, a fission source distribution, and an absorption rate's gradient in a burnable absorber rod. The application results shows that the neural network method can approximate a tally distribution quite well. (authors)

  15. Frontier of plasma physics. 'Research network on non-equilibrium and extreme state plasmas'

    International Nuclear Information System (INIS)

    Itoh, Sanae-I.; Fujisawa, Akihide; Kodama, Ryosuke; Sato, Motoyasu; Tanaka, Kazuo A.; Hatakeyama, Rikizo; Itoh, Kimitaka

    2011-01-01

    Plasma physics and fusion science have been applied to a wide variety of plasmas such as nuclear fusion plasmas, high-energy-density plasmas, processing plasmas and nanobio- plasmas. They are pioneering science and technology frontiers such as new energy sources and new functional materials. A large project 'research network on non-equilibrium and extreme state plasmas' is being proposed to reassess individual plasma researches from a common view of the non-equilibrium extreme plasma and to promote collaboration among plasma researchers all over the country. In the present review, recent collaborative works related to this project are being introduced. (T.I.)

  16. Block and Gradient Copoly(2-oxazoline) Micelles: Strikingly Different on the Inside.

    Science.gov (United States)

    Filippov, Sergey K; Verbraeken, Bart; Konarev, Petr V; Svergun, Dmitri I; Angelov, Borislav; Vishnevetskaya, Natalya S; Papadakis, Christine M; Rogers, Sarah; Radulescu, Aurel; Courtin, Tim; Martins, José C; Starovoytova, Larisa; Hruby, Martin; Stepanek, Petr; Kravchenko, Vitaly S; Potemkin, Igor I; Hoogenboom, Richard

    2017-08-17

    Herein, we provide a direct proof for differences in the micellar structure of amphiphilic diblock and gradient copolymers, thereby unambiguously demonstrating the influence of monomer distribution along the polymer chains on the micellization behavior. The internal structure of amphiphilic block and gradient co poly(2-oxazolines) based on the hydrophilic poly(2-methyl-2-oxazoline) (PMeOx) and the hydrophobic poly(2-phenyl-2-oxazoline) (PPhOx) was studied in water and water-ethanol mixtures by small-angle X-ray scattering (SAXS), small-angle neutron scattering (SANS), static and dynamic light scattering (SLS/DLS), and 1 H NMR spectroscopy. Contrast matching SANS experiments revealed that block copolymers form micelles with a uniform density profile of the core. In contrast to popular assumption, the outer part of the core of the gradient copolymer micelles has a distinctly higher density than the middle of the core. We attribute the latter finding to back-folding of chains resulting from hydrophilic-hydrophobic interactions, leading to a new type of micelles that we refer to as micelles with a "bitterball-core" structure.

  17. Modeling Pore-Scale Oil-Gas Systems Using Gradient Theory with Peng-Robinson Equation of State

    KAUST Repository

    Fan, Xiaolin

    2016-06-01

    This research addresses a sequential convex splitting method for numerical simulation of multicomponent two-phase fluids mixture in a single-pore at constant temperature, which is modeled by the gradient theory with Peng-Robinson equation of state. The gradient theory of thermodynamics and variational calculus are utilized to obtain a system of chemical equilibrium equations which are transformed into a transient system as a numerical strategy on which the numerical scheme is based. The proposed numerical algorithm avoids computing Hessian matrix arising from the second-order derivative of homogeneous contribution of free energy; it is also quite robust. This scheme is proved to be unconditionally component-wise energy stable. The Raviart-Thomas mixed finite element method is applied to spatial discretization.

  18. Modeling Pore-Scale Oil-Gas Systems Using Gradient Theory with Peng-Robinson Equation of State

    KAUST Repository

    Fan, Xiaolin; Kou, Jisheng; Qiao, Zhonghua; Sun, Shuyu

    2016-01-01

    This research addresses a sequential convex splitting method for numerical simulation of multicomponent two-phase fluids mixture in a single-pore at constant temperature, which is modeled by the gradient theory with Peng-Robinson equation of state. The gradient theory of thermodynamics and variational calculus are utilized to obtain a system of chemical equilibrium equations which are transformed into a transient system as a numerical strategy on which the numerical scheme is based. The proposed numerical algorithm avoids computing Hessian matrix arising from the second-order derivative of homogeneous contribution of free energy; it is also quite robust. This scheme is proved to be unconditionally component-wise energy stable. The Raviart-Thomas mixed finite element method is applied to spatial discretization.

  19. 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

  20. Density distortion within a rotating body

    International Nuclear Information System (INIS)

    Lanzano, P.

    1975-01-01

    This paper ascertains the distortion of the density distribution within a self-gravitating body in hydrostatic equilibrium under the influence of rotation. For this purpose, the Poisson equation has been solved by using the undistorted density profile within the Laplacian to obtain the distorted density. The Laplacian has been expressed in terms of a system of curvilinear coordinates for which the equipotential surfaces constitute a family of fundamental surfaces. In performing the requisite algebraic manipulations, the Clairaut and Radau equations developed in a previous paper (Lanzano,1974) were utilized to eliminate the derivatives of the elements pertaining to the equipotential surfaces. The density distortion has been obtained up to third-order terms in a small rotational parameter. (Auth.)