Field theory for string fluids
NASA Astrophysics Data System (ADS)
Schubring, Daniel; Vanchurin, Vitaly
2015-08-01
We develop a field theory description of nondissipative string fluids and construct an explicit mapping between field theory degrees of freedom and hydrodynamic variables. The theory generalizes both a perfect particle fluid and pressureless string fluid to what we call a perfect string fluid. Ideal magnetohydrodynamics is shown to be an example of the perfect string fluid whose equations of motion can be obtained from a particular choice of the Lagrangian. The Lagrangian framework suggests a straightforward extension of the perfect string fluid to more general anisotropic fluids describing higher dimensional branes such as domain walls. Other modifications of the Lagrangian are discussed which may be useful in describing relativistic superfluids and fluids containing additional currents.
Molecular theory of barycentric velocity: monatomic fluids.
Eu, Byung Chan
2008-05-28
The notion of barycentric velocity appears in irreversible thermodynamics and fluid mechanics, in which it is a field variable obeying the hydrodynamic equations or, more specifically, the momentum balance equation, which is coupled to the rest of hydrodynamic equations. Therefore, its behavior is not known until the hydrodynamic equations are solved for the flow problem of interest. Unlike diffusion fluxes, heat fluxes, or stresses, it does not have its own constitutive relation similar to Fick's law, Fourier's law, and Newton's law of viscosity. In this work, the constitutive equation is derived for it. In parallel to the phenomenological notion of barycentric velocity, the notion of mean fluid velocity appears in statistical mechanics of irreversible dynamic processes according to the theory of Irving and Kirkwood [J. Chem. Phys. 18, 817 (1950)], and plays the same role of the phenomenological counterpart. In this work, we investigate the statistical mechanical meanings of the mean fluid velocity of a fluid in flow beyond its formal connection with the barycentric velocity. We show that it consists of two components; the center-of-gravity velocity of the packet of fluid molecules, which may be identified with the barycentric velocity in the phenomenological theory, and the diffusive contribution of its collective modes relative to the center of gravity. If the fluid is uniform in space or if the packet of fluid mass is rigid, the diffusive component vanishes. The statistical mechanical (molecular theory) formula for the mean fluid velocity provides the constitutive relation for it in terms of density and temperature gradients present in the fluid in flow. The constitutive relation obtained for the mean fluid velocity can be an important component in the theory of transport processes in liquids. Its significance to fluid mechanics is briefly discussed. PMID:18513032
A site-renormalized molecular fluid theory
NASA Astrophysics Data System (ADS)
Dyer, Kippi M.; Perkyns, John S.; Pettitt, B. Montgomery
2007-11-01
The orientation-dependent pair distribution function for molecular fluids on site-site potentials is expanded in a topological analog of the diagrammatically proper site-site theory of liquids [D. Chandler et al., Mol. Phys. 46, 1335 (1982)]. The resulting functions are then used to diagrammatically renormalize the molecular fluid theory. A result is that the diagrammatically proper interaction site model theory is shown to be a linearized, minimal angular basis set approximation to this site-renormalized molecular theory. This framework is used to propose a new, exact, and proper closure to the diagrammatically proper interaction site model theory. The resulting equation system contains a bridge function expansion in the proper site-site theory. In addition, the construction of the theory is such that the molecular pair distribution function, in full dimensionality, is intrinsic to the theory. Furthermore, the theory is equivalent to the molecular Ornstein-Zernike treatment of site-site molecules in the basis set expansion of Blum and Torruella [J. Chem. Phys. 56, 303 (1971)]. A significant formal result of the theory is the demonstration that certain classes of diagrams which would otherwise be considered improper in the interaction site model formalism are included in the angular expansion of molecular interactions. Numerical results for several apolar homonuclear models and an apolar heteronuclear model are shown to quantitatively improve upon those of reference interaction site model and our recent proper variant with respect to simulation. Significant numerical results are that the various thermodynamic quantities obey the exact symmetries and sum rules within numerical error for the different sites in the heteronuclear case, even for the low order approximation used in this work, and the theory is independent of the so-called auxiliary site problem common to previous site-site theories.
Critique of fluid theory of magnetospheric phenomena. [kinetic theory vs two fluid models
NASA Technical Reports Server (NTRS)
Heikkila, W. J.
1973-01-01
Discussion of the limitations and shortcomings of the fluid theory of magnetospheric phenomena. Following a brief qualitative review of the various theoretical approaches and of their interrelation, some of the limitations of the fluid theory with respect to magnetospheric problems are outlined, and the subsequent fallacies are exposed. The idea of frozen field convection and the concept of field line annihilation or merging are criticized. In conclusion, a plea is made for a more balanced approach to magnetospheric problems.
Intermediate Temperature Fluids Life Tests - Theory
NASA Technical Reports Server (NTRS)
Tarau, Calin; Sarraf, David B.; Locci, Ivan E.; Anderson, William G.
2008-01-01
There are a number of different applications that could use heat pipes or loop heat pipes (LHPs) in the intermediate temperature range of 450 to 750 K, including space nuclear power system radiators, and high temperature electronics cooling. Potential working fluids include organic fluids, elements, and halides, with halides being the least understood, with only a few life tests conducted. Potential envelope materials for halide working fluids include pure aluminum, aluminum alloys, commercially pure (CP) titanium, titanium alloys, and corrosion resistant superalloys. Life tests were conducted with three halides (AlBr3, SbBr3, and TiCl4) and water in three different envelopes: two aluminum alloys (Al-5052, Al-6061) and Cp-2 titanium. The AlBr3 attacked the grain boundaries in the aluminum envelopes, and formed TiAl compounds in the titanium. The SbBr3 was incompatible with the only envelope material that it was tested with, Al-6061. TiCl4 and water were both compatible with CP2-titanium. A theoretical model was developed that uses electromotive force differences to predict the compatibility of halide working fluids with envelope materials. This theory predicts that iron, nickel, and molybdenum are good envelope materials, while aluminum and titanium halides are good working fluids. The model is in good agreement with results form previous life tests, as well as the current life tests.
Statistical mechanical theory of fluid mixtures
NASA Astrophysics Data System (ADS)
Zhao, Yueqiang; Wu, Zhengming; Liu, Weiwei
2014-01-01
A general statistical mechanical theory of fluid mixtures (liquid mixtures and gas mixtures) is developed based on the statistical mechanical expression of chemical potential of components in the grand canonical ensemble, which gives some new relationships between thermodynamic quantities (equilibrium ratio Ki, separation factor α and activity coefficient γi) and ensemble average potential energy u for one molecule. The statistical mechanical expressions of separation factor α and activity coefficient γi derived in this work make the fluid phase equilibrium calculations can be performed by molecular simulation simply and efficiently, or by the statistical thermodynamic approach (based on the saturated-vapor pressure of pure substance) that does not need microscopic intermolecular pair potential functions. The physical meaning of activity coefficient γi in the liquid phase is discussed in detail from a viewpoint of molecular thermodynamics. The calculated Vapor-Liquid Equilibrium (VLE) properties of argon-methane, methanol-water and n-hexane-benzene systems by this model fit well with experimental data in references, which indicates that this model is accurate and reliable in the prediction of VLE properties for small, large and strongly associating molecules; furthermore the statistical mechanical expressions of separation factor α and activity coefficient γi have good compatibility with classical thermodynamic equations and quantum mechanical COSMO-SAC approach.
The Relaxation Effect in Dissipative Relativistic Fluid Theories
NASA Astrophysics Data System (ADS)
Lindblom, Lee
1996-04-01
The dynamics of the fluid fields in a large class of causal dissipative fluid theories is studied. It is shown that the physical fluid states in these theories must relax (on a time scale that is characteristic of the microscopic particle interactions) to ones that are essentially indistinguishable from the simple relativistic Navier-Stokes descriptions of these states. Thus, for example, in the relaxed form of a physical fluid state the stress energy tensor is in effect indistinguishable from a perfect fluid stress tensor plus small dissipative corrections proportional to the shear of the fluid velocity, the gradient of the temperature, etc.
Application of wave mechanics theory to fluid dynamics problems: Fundamentals
NASA Technical Reports Server (NTRS)
Krzywoblocki, M. Z. V.
1974-01-01
The application of the basic formalistic elements of wave mechanics theory is discussed. The theory is used to describe the physical phenomena on the microscopic level, the fluid dynamics of gases and liquids, and the analysis of physical phenomena on the macroscopic (visually observable) level. The practical advantages of relating the two fields of wave mechanics and fluid mechanics through the use of the Schroedinger equation constitute the approach to this relationship. Some of the subjects include: (1) fundamental aspects of wave mechanics theory, (2) laminarity of flow, (3) velocity potential, (4) disturbances in fluids, (5) introductory elements of the bifurcation theory, and (6) physiological aspects in fluid dynamics.
Transport theory for the Lennard-Jones dense fluid
Karkheck, J.; Stell, G.; Xu, J.
1988-11-01
A kinetic theory for a fluid of particles interacting via a pair potential with hard-core plus truncated tail is described and used to derive a transport theory for the Lennard-Jones fluid as well as the square-well fluid. Numerical results for shear viscosity, thermal conductivity, and the self-diffusion coefficient are given for the Lennard-Jones fluid and compared with simulation and experimental results. Our Lennard-Jones theory proves quantitatively useful over a wide range of states.
A Causal, Covariant Theory of Dissipative Fluid Flow
NASA Astrophysics Data System (ADS)
Scofield, Dillon; Huq, Pablo
2015-04-01
The use of newtonian viscous dissipation theory in covariant fluid flow theories is known to lead to predictions that are inconsistent with the second law of thermodynamics and to predictions that are acausal. For instance, these problems effectively limit the covariant form of the Navier-Stokes theory (NST) to time-independent flow regimes. Thus the NST, the work horse of fluid dynamical theory, is limited in its ability to model time-dependent turbulent, stellar or thermonuclear flows. We show how such problems are avoided by a new geometrodynamical theory of fluids. This theory is based on a recent result of geometrodynamics showing current conservation implies gauge field creation, called the vortex field lemma and classification of flows by their Pfaff dimension. Experimental confirmation of the theory is reviewed.
Theory of Brownian motion in a Jeffreys fluid
Raikher, Yu. L.; Rusakov, V. V.
2010-11-15
We have constructed a kinetic theory of Brownian motion in a rheologically complex medium-a Jeffreys fluid that is characterized by a combination of two viscosity mechanisms: ordinary and delayed. This model is shown to be much better suited for the interpretation of experiments on the microrheology of viscoelastic media than the standard Maxwell model. In particular, no oscillations of the mean-square particle displacement arise in a Jeffreys fluid, which is a nonremovable artifact of the theory of Brownian motion in a Maxwell fluid. The developed approach can to be used also consider the diffusion of particles in other complex fluids whose rheology is described by phenomenological schemes.
Einstein static universe in scalar-fluid theories
NASA Astrophysics Data System (ADS)
Böhmer, Christian G.; Tamanini, Nicola; Wright, Matthew
2015-12-01
A new Lagrangian framework has recently been proposed to describe interactions between relativistic perfect fluids and scalar fields. In this paper we investigate the Einstein static universe in this new class of theories, which have been named scalar-fluid theories. The stability of the static solutions to both homogeneous and inhomogeneous perturbations is analyzed deriving the relevant cosmological perturbation equations at the linear order. We can find several configurations corresponding to an Einstein static universes which are stable against inhomogeneous perturbations, but unstable against homogeneous perturbations. This shows the possible applications of scalar-fluid theories to the inflationary emergent universe scenario.
Density functional theory for Yukawa fluids
NASA Astrophysics Data System (ADS)
Hatlo, Marius M.; Banerjee, Priyanka; Forsman, Jan; Lue, Leo
2012-08-01
We develop an approximate field theory for particles interacting with a generalized Yukawa potential. This theory improves and extends a previous splitting field theory, originally developed for counterions around a fixed charge distribution. The resulting theory bridges between the second virial approximation, which is accurate at low particle densities, and the mean-field approximation, accurate at high densities. We apply this theory to charged, screened ions in bulk solution, modeled to interact with a Yukawa potential; the theory is able to accurately reproduce the thermodynamic properties of the system over a broad range of conditions. The theory is also applied to "dressed counterions," interacting with a screened electrostatic potential, contained between charged plates. It is found to work well from the weak coupling to the strong coupling limits. The theory is able to reproduce the counterion profiles and force curves for closed and open systems obtained from Monte Carlo simulations.
Fluid Closure, Theory, Relations to Particle Pinches, Fluid Resonances
Weiland, Jan; Zagorodny, Anatoly
2011-10-03
The fluid closure in a toroidal plasma is discussed. In particular the relation to particle and temperature pinches is considered. Implications for the radial growth of transport coefficients are given. A particularly significant effect of dissipative kinetic resonances is that they reduce particle pinches. This is shown both for a gyrofluid and a quasilinear kinetic model. In particular the fact that the ITG and Trapped electron modes are resonant modes and that the effect of dissipative kinetic resonanses is ignorable for impurities but not for main ions shows that the closure aspect in a fluid description and strongly nonlinear effects in a kinetic description are instrumental for a proper description of particle pinches. We assume here that only the ITG mode due to main ions is unstable. The ITG mode due to impurities would, of course, be sensitive to the resonance with impurities. This also addresses the question of sources in the Fokker-Planck equation. The point is that we need only to worry about resonant sources for the wave dynamics, since RF heating with phase velocity or NBI heating with beam velocity far from the drift waves will appear only as ideal heat sources. The difference in phase velocity between drift waves and RF waves is much larger than the difference in thermal velocity of main ions and typical impurity ions.
Spinning fluids in the Einstein-Cartan theory
NASA Technical Reports Server (NTRS)
Ray, J. R.; Smalley, L. L.
1983-01-01
An Eulerian variational principle for a spinning fluid in the Einstein-Cartan metric-torsion theory is presented. The variational principle yields the complete set of field equations for the system. The symmetric energy-momentum tensor is a sum of a perfect-fluid term and a spin term.
Nonlinear theory of unstable fluid mixing driven by shock wave
NASA Astrophysics Data System (ADS)
Zhang, Qiang; Sohn, Sung-Ik
1997-04-01
A shock driven material interface between two fluids of different density is unstable. This instability is known as Richtmyer-Meshkov (RM) instability. In this paper, we present a quantitative nonlinear theory of compressible Richtmyer-Meshkov instability in two dimensions. Our nonlinear theory contains no free parameter and provides analytical predictions for the overall growth rate, as well as the growth rates of the bubble and spike, from early to later times for fluids of all density ratios. The theory also includes a general formulation of perturbative nonlinear solutions for incompressible fluids (evaluated explicitly through the fourth order). Our theory shows that the RM unstable system goes through a transition from a compressible and linear one at early times to a nonlinear and incompressible one at later times. Our theoretical predictions are in excellent agreement with the results of full numerical simulations from linear to nonlinear regimes.
Existence Theory for Stochastic Power Law Fluids
NASA Astrophysics Data System (ADS)
Breit, Dominic
2015-06-01
We consider the equations of motion for an incompressible non-Newtonian fluid in a bounded Lipschitz domain during the time interval (0, T) together with a stochastic perturbation driven by a Brownian motion W. The balance of momentum reads as where v is the velocity, the pressure and f an external volume force. We assume the common power law model and show the existence of martingale weak solution provided . Our approach is based on the -truncation and a harmonic pressure decomposition which are adapted to the stochastic setting.
Fluctuation theory of critical phenomena in fluids
NASA Astrophysics Data System (ADS)
Martynov, G. A.
2016-07-01
It is assumed that critical phenomena are generated by density wave fluctuations carrying a certain kinetic energy. It is noted that all coupling equations for critical indices are obtained within the context of this hypothesis. Critical indices are evaluated for 15 liquids more accurately than when using the current theory of critical phenomena.
The Effective Field Theory Approach to Fluid Dynamics
NASA Astrophysics Data System (ADS)
Endlich, Solomon George Shamsuddin Osman
In this thesis we initiate a systematic study of fluid dynamics using the effective field theory (EFT) program. We consider the canonical quantization of an ordinary fluid in an attempt to discover if there is some kind of quantum mechanical inconsistency with ordinary fluids at zero temperature. The system exhibits a number of peculiarities associated with the vortex degrees of freedom. We also study the dynamics of a nearly incompressible fluid via (classical) effective field theory. In the kinematical regime corresponding to near incompressibility (small fluid velocities and accelerations), compressional modes are, by definition, difficult to excite, and can be dealt with perturbatively. We systematically outline the corresponding perturbative expansion, which can be thought of as an expansion in the ratio of fluid velocity and speed of sound. This perturbation theory allows us to compute many interesting quantities associated with sound-flow interactions. Additionally, we also improve on the so-called vortex filament model, by providing a local field theory describing the dynamics of vortex-line systems and their interaction with sound, to all orders in perturbation theory. Next, we develop a cosmological model where primordial inflation is driven by a 'solid'. The low energy EFT describing such a system is just a less symmetric version of the action of a fluid---it lacks the volume preserving diffeomorphism. The symmetry breaking pattern of this system differs drastically from that of standard inflationary models: time translations are unbroken. This prevents our model from fitting into the standard effective field theory description of adiabatic perturbations, with crucial consequences for the dynamics of cosmological perturbations. And finally, we introduce dissipative effects in the effective field theory of hydrodynamics. We do this in a model-independent fashion by coupling the long-distance degrees of freedom explicitly kept in the effective field theory
Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids
Marshall, Bennett D. Chapman, Walter G.
2013-12-07
We develop a resummed thermodynamic perturbation theory for bond cooperativity in associating fluids by extension of Wertheim's multi-density formalism. We specifically consider the case of an associating hard sphere with two association sites and both pairwise and triplet contributions to the energy, such that the first bond in an associated cluster receives an energy −ε{sup (1)} and each subsequent bond in the cluster receives an energy −ε{sup (2)}. To test the theory we perform new Monte Carlo simulations for potentials of this type. Theory and simulation are found to be in excellent agreement. We show that decreasing the energetic benefit of hydrogen bonding can actually result in a decrease in internal energy in the fluid. We also predict that when ε{sup (1)} = 0 and ε{sup (2)} is nonzero there is a transition temperature where the system transitions from a fluid of monomers to a mixture of monomers and very long chains.
Rate constitutive theories for ordered thermoviscoelastic fluids: polymers
NASA Astrophysics Data System (ADS)
Surana, K. S.; Nunez, D.; Reddy, J. N.; Romkes, A.
2014-03-01
This paper presents development of rate constitutive theories for compressible as well as in incompressible ordered thermoviscoelastic fluids, i.e., polymeric fluids in Eulerian description. The polymeric fluids in this paper are considered as ordered thermoviscoelastic fluids in which the stress rate of a desired order, i.e., the convected time derivative of a desired order ` m' of the chosen deviatoric Cauchy stress tensor, and the heat vector are functions of density, temperature, temperature gradient, convected time derivatives of the chosen strain tensor up to any desired order ` n' and the convected time derivative of up to orders ` m-1' of the chosen deviatoric Cauchy stress tensor. The development of the constitutive theories is presented in contravariant and covariant bases, as well as using Jaumann rates. The polymeric fluids described by these constitutive theories will be referred to as ordered thermoviscoelastic fluids due to the fact that the constitutive theories are dependent on the orders ` m' and ` n' of the convected time derivatives of the deviatoric Cauchy stress and conjugate strain tensors. The highest orders of the convected time derivative of the deviatoric Cauchy stress and strain tensors define the orders of the polymeric fluid. The admissibility requirement necessitates that the constitutive theories for the stress tensor and heat vector satisfy conservation laws, hence, in addition to conservation of mass, balance of momenta, and conservation of energy, the second law of thermodynamics, i.e., Clausius-Duhem inequality must also be satisfied by the constitutive theories or be used in their derivations. If we decompose the total Cauchy stress tensor into equilibrium and deviatoric components, then Clausius-Duhem inequality and Helmholtz free-energy density can be used to determine the equilibrium stress in terms of thermodynamic pressure for compressible fluids and in terms of mechanical pressure for incompressible fluids, but the second
Rate constitutive theories for ordered thermoviscoelastic fluids: polymers
NASA Astrophysics Data System (ADS)
Surana, K. S.; Nunez, D.; Reddy, J. N.; Romkes, A.
2013-03-01
This paper presents development of rate constitutive theories for compressible as well as in incompressible ordered thermoviscoelastic fluids, i.e., polymeric fluids in Eulerian description. The polymeric fluids in this paper are considered as ordered thermoviscoelastic fluids in which the stress rate of a desired order, i.e., the convected time derivative of a desired order `m' of the chosen deviatoric Cauchy stress tensor, and the heat vector are functions of density, temperature, temperature gradient, convected time derivatives of the chosen strain tensor up to any desired order `n' and the convected time derivative of up to orders `m-1' of the chosen deviatoric Cauchy stress tensor. The development of the constitutive theories is presented in contravariant and covariant bases, as well as using Jaumann rates. The polymeric fluids described by these constitutive theories will be referred to as ordered thermoviscoelastic fluids due to the fact that the constitutive theories are dependent on the orders `m' and `n' of the convected time derivatives of the deviatoric Cauchy stress and conjugate strain tensors. The highest orders of the convected time derivative of the deviatoric Cauchy stress and strain tensors define the orders of the polymeric fluid. The admissibility requirement necessitates that the constitutive theories for the stress tensor and heat vector satisfy conservation laws, hence, in addition to conservation of mass, balance of momenta, and conservation of energy, the second law of thermodynamics, i.e., Clausius-Duhem inequality must also be satisfied by the constitutive theories or be used in their derivations. If we decompose the total Cauchy stress tensor into equilibrium and deviatoric components, then Clausius-Duhem inequality and Helmholtz free-energy density can be used to determine the equilibrium stress in terms of thermodynamic pressure for compressible fluids and in terms of mechanical pressure for incompressible fluids, but the second law
Communication: Fundamental measure theory for hard disks: fluid and solid.
Roth, Roland; Mecke, Klaus; Oettel, Martin
2012-02-28
Two-dimensional hard-particle systems are rather easy to simulate but surprisingly difficult to treat by theory. Despite their importance from both theoretical and experimental points of view, theoretical approaches are usually qualitative or at best semi-quantitative. Here, we present a density functional theory based on the ideas of fundamental measure theory for two-dimensional hard-disk mixtures, which allows for the first time an accurate description of the structure of the dense fluid and the equation of state for the solid phase within the framework of density functional theory. The properties of the solid phase are obtained by freely minimizing the functional. PMID:22380024
Perfect fluids in the Einstein-Cartan theory
NASA Technical Reports Server (NTRS)
Ray, J. R.; Smalley, L. J.
1982-01-01
It is pointed out that whereas most of the discussion of the Einstein-Cartan (EC) theory involves the relationship between gravitation and elementary particles, it is possible that the theory, if correct, may be important in certain extreme astrophysical and cosmological problems. The latter would include something like the collapse of a spinning star or an early universe with spin. A set of equations that describe a macroscopic perfect fluid in the EC theory is derived and examined. The equations are derived starting from the fundamental variational principle for a perfect fluid in general relativity. A brief review of the study by Ray (1972) is included, and the results for the EC theory are presented.
Improved renormalization group theory for critical asymmetry of fluids
NASA Astrophysics Data System (ADS)
Wang, Long; Zhao, Wei; Wu, Liang; Li, Liyan; Cai, Jun
2013-09-01
We develop an improved renormalization group (RG) approach incorporating the critical vapor-liquid equilibrium asymmetry. In order to treat the critical asymmetry of vapor-liquid equilibrium, the integral measure is introduced in the Landau-Ginzbug partition function to achieve a crossover between the local order parameter in Ising model and the density of fluid systems. In the implementation of the improved RG approach, we relate the integral measure with the inhomogeneous density distribution of a fluid system and combine the developed method with SAFT-VR (statistical associating fluid theory of variable range) equation of state. The method is applied to various fluid systems including square-well fluid, square-well dimer fluid and real fluids such as methane (CH4), ethane (C2H6), trifluorotrichloroethane (C2F3Cl3), and sulfur hexafluoride (SF6). The descriptions of vapor-liquid equilibria provided by the developed method are in excellent agreement with simulation and experimental data. Furthermore, the improved method predicts accurate and qualitatively correct behavior of coexistence diameter near the critical point and produces the non-classical 3D Ising criticality.
Composition dependence of fluid thermophysical properties: Theory and modeling
Ely, J.F.
1993-03-29
Objectives are studies of equilibrium/nonequilibrium properties of asymmetric fluid mixtures through computer simulation (CS), development of predictive theories of mixture equilibrium properties, development and application of selection algorithm methodology for mixture equations of state, and use of theory to develop new engineering design models for fluid mixtures. Kirwood charging method CS of Lennard-Jones mixtures with large size ratios verified the Kirkwood-Buff/Baxter method of calculating chemical potentials. CS of n-butane showed that the rheology is not a function of system size. A modified stepwise regression algorithm was developed and applied to HFC R134a. An analytical expression was developed for conformal solution size correction for mixtures. The extended corresponding states theory (ECST) can be applied to systems having large polarity differences; an accurate representation was developed of bulk phase properties of water-hydrocarbon systems. It was found how to force ECST to reach the correct virial limit.
Two-fluid theory and thermodynamic properties of liquid mixtures: General theory
Brandani, V.; Prausnitz, J. M.
1982-01-01
The two-fluid theory of binary mixtures postulates that the extensive thermodynamic properties of a binary mixture may be expressed by the contributions of two hypothetical fluids that mix ideally. This postulate, coupled with an expression for the partition function of the hypothetical fluid, permits evaluation of the properties of binary liquid mixtures by using only two adjustable binary parameters. Particular attention is given to the problem of nonrandomness in mixtures. A quantitative description of nonrandomness is achieved by combining the two-fluid concept with a hypothesis for ensemble averaging of a distribution of nearest-neighbor pairs. PMID:16593213
Simple bond length dependence: A correspondence between reactive fluid theories
NASA Astrophysics Data System (ADS)
Dyer, Kippi M.; Perkyns, John S.; Pettitt, B. M.
2005-06-01
Two elementary models of reactive fluids are examined, the first being a standard construction assuming molecular dissociation at infinite separation; the second is an open mixture of nondissociative molecules and free atoms in which the densities of free atoms and molecules are coupled. An approximation to the density of molecules, to low order in site density, is derived in terms of the classical associating fluid theory variously described by Wertheim [J. Chem. Phys. 87, 7323 (1987)] and Stell [Physica A 231, 1 (1996)]. The results are derived for a fluid of dimerizing hard spheres, and predict dependence of the molecular density on the total site density, the hard sphere diameter, and the bond length of the dimer. The results for the two reactive models are shown to be qualitatively similar, and lead to equivalent predictions of the molecular density for the infinitely short and infinitely long bond lengths.
Thermodynamics of perfect fluids from scalar field theory
NASA Astrophysics Data System (ADS)
Ballesteros, Guillermo; Comelli, Denis; Pilo, Luigi
2016-07-01
The low-energy dynamics of relativistic continuous media is given by a shift-symmetric effective theory of four scalar fields. These scalars describe the embedding in spacetime of the medium and play the role of Stückelberg fields for spontaneously broken spatial and time translations. Perfect fluids are selected imposing a stronger symmetry group or reducing the field content to a single scalar. We explore the relation between the field theory description of perfect fluids to thermodynamics. By drawing the correspondence between the allowed operators at leading order in derivatives and the thermodynamic variables, we find that a complete thermodynamic picture requires the four Stückelberg fields. We show that thermodynamic stability plus the null-energy condition imply dynamical stability. We also argue that a consistent thermodynamic interpretation is not possible if any of the shift symmetries is explicitly broken.
Thermodynamic properties of fluids from Fluctuation Solution Theory
O'Connell, J.P.
1990-01-01
Fluctuation Theory develops exact relations between integrals of molecular correlation functions and concentration derivatives of pressure and chemical potential. These quantities can be usefully correlated, particularly for mechanical and thermal properties of pure and mixed dense fluids and for activities of strongly nonideal liquid solutions. The expressions yield unique formulae for the desirable thermodynamic properties of activity and density. The molecular theory origins of the flucuation properties, their behavior for systems of technical interest and some of their successful correlations will be described. Suggestions for fruitful directions will be suggested.
Thermodynamic properties of fluids from Fluctuation Solution Theory
O`Connell, J.P.
1990-12-31
Fluctuation Theory develops exact relations between integrals of molecular correlation functions and concentration derivatives of pressure and chemical potential. These quantities can be usefully correlated, particularly for mechanical and thermal properties of pure and mixed dense fluids and for activities of strongly nonideal liquid solutions. The expressions yield unique formulae for the desirable thermodynamic properties of activity and density. The molecular theory origins of the flucuation properties, their behavior for systems of technical interest and some of their successful correlations will be described. Suggestions for fruitful directions will be suggested.
Kinetic Density Functional Theory: A Microscopic Approach to Fluid Mechanics
NASA Astrophysics Data System (ADS)
Umberto Marini Bettolo, Marconi; Simone, Melchionna
2014-10-01
In the present paper we give a brief summary of some recent theoretical advances in the treatment of inhomogeneous fluids and methods which have applications in the study of dynamical properties of liquids in situations of extreme confinement, such as nanopores, nanodevices, etc. The approach obtained by combining kinetic and density functional methods is microscopic, fully self-consistent and allows to determine both configurational and flow properties of dense fluids. The theory predicts the correct hydrodynamic behavior and provides a practical and numerical tool to determine how the transport properties are modified when the length scales of the confining channels are comparable with the size of the molecules. The applications range from the dynamics of simple fluids under confinement, to that of neutral binary mixtures and electrolytes where the theory in the limit of slow gradients reproduces the known phenomenological equations such as the Planck—Nernst—Poisson and the Smolochowski equations. The approach here illustrated allows for fast numerical solution of the evolution equations for the one-particle phase-space distributions by means of the weighted density lattice Boltzmann method and is particularly useful when one considers flows in complex geometries.
Geometrodynamical Fluid Theory Applied to Dynamo Flows in Planetary Interiors
NASA Astrophysics Data System (ADS)
Lewis, Kayla; Miramontes, Diego; Scofield, Dillon
2015-11-01
Due to their reliance on a Newtonian viscous stress model, the traditional Navier-Stokes equations are of parabolic type; this in turn leads to acausal behavior of solutions to these equations, e.g., a localized disturbance at any point instantaneously affects the solution arbitrarily far away. Geometrodynamical fluid theory (GFT) avoids this problem through a relativistically covariant formulation of the flow equations. Using GFT, we derive the magnetohydrodynamic equations describing the balance of energy-momentum appropriate for dynamo flows in planetary interiors. These equations include interactions between magnetic and fluid vortex fields. We derive scaling laws from these equations and compare them with scaling laws derived from the traditional approach. Finally, we discuss implications of these scalings for flows in planetary dynamos.
Effective string theory for vortex lines in fluids and superfluids
NASA Astrophysics Data System (ADS)
Horn, Bart; Nicolis, Alberto; Penco, Riccardo
2015-10-01
We discuss the effective string theory of vortex lines in ordinary fluids and low-temperature superfluids, by describing the bulk fluid flow in terms of a two-form field to which vortex lines can couple. We derive the most general low-energy effective Lagrangian that is compatible with (spontaneously broken) Poincaré invariance and worldsheet reparameterization invariance. This generalizes the effective action developed in [1, 2]. By applying standard field-theoretical techniques, we show that certain low-energy coupling constants — most notably the string tension — exhibit RG running already at the classical level. We discuss applications of our techniques to the study of Kelvin waves, vortex rings, and the coupling to bulk sound modes.
Fluid flow in fractured rock: Theory and application
Long, J.C.S.; Hestir, K.; Karasaki, K.; Davey, A.; Peterson, J.; Kemeny, J.; Landsfeld, M.
1989-07-01
The phenomena of fluid flow in fractured rock is dominated by the fact that is not all parts of the domain are in hydraulic communication. In theory, it is possible to determine connectivity and permeability from stochastic parameters that describe the fracture geometry. When this approach is applied to the field we find it very difficult to sufficiently determine the geometry which controls the flow. Simulated annealing, an inverse technique which focus on finding the pattern of conductors may provide a better way to characterize these systems. 30 refs., 20 figs., 6 tabs.
Chen, Jiale; Gao, Zhe
2013-08-15
The second-order velocity distribution function was calculated from the second-order rf kinetic theory [Jaeger et al., Phys. Plasmas 7, 641 (2000)]. However, the nonresonant ponderomotive force in the radial direction derived from the theory is inconsistent with that from the fluid theory. The inconsistency arises from that the multiple-timescale-separation assumption fails when the second-order Vlasov equation is directly integrated along unperturbed particle orbits. A slowly ramped wave field including an adiabatic turn-on process is applied in the modified kinetic theory in this paper. Since this modification leads only to additional reactive/nonresonant response relevant with the secular resonant response from the previous kinetic theory, the correct nonresonant ponderomotive force can be obtained while all the resonant moments remain unchanged.
Constraints on the effective fluid theory of stationary branes
NASA Astrophysics Data System (ADS)
Armas, Jay; Harmark, Troels
2014-10-01
We develop further the effective fluid theory of stationary branes. This formalism applies to stationary blackfolds as well as to other equilibrium brane systems at finite temperature. The effective theory is described by a Lagrangian containing the information about the elastic dynamics of the brane embedding as well as the hydrodynamics of the effective fluid living on the brane. The Lagrangian is corrected order-by-order in a derivative expansion, where we take into account the dipole moment of the brane which encompasses finite-thickness corrections, including transverse spin. We describe how to extract the thermodynamics from the Lagrangian and we obtain constraints on the higher-derivative terms with one and two derivatives. These constraints follow by comparing the brane thermodynamics with the conserved currents associated with background Killing vector fields. In particular, we fix uniquely the one- and two-derivative terms describing the coupling of the transverse spin to the background space-time. Finally, we apply our formalism to two blackfold examples, the black tori and charged black rings and compare the latter to a numerically generated solution.
Theory of trapped-particle-induced resistive fluid turbulence
Biglari, H.; Diamond, P.H.
1987-05-01
A theory of anomalous electron heat transport, evolving from trapped-particle-induced resistive interchange modes, is proposed. These latter are a new branch of the resistive interchange-ballooning family of instabilities, destabilized when the pressure carried by the unfavorably-drifting trapped particles is sufficiently large to overcome stabilizing contributions coming from favorable average curvature. Expressions for the turbulent heat diffusivity and anomalous electron thermal conductivity at saturation are derived for two regimes of trapped particle energy: (1) a moderately-energetic regime, which is ''fluid-like'' in the sense that the unstable mode grows faster than the time that it takes for particles in this energy range to precess once around the torus; and (2) a highly-energetic regime, where the trapped species has sufficiently high energy as to be able to resonantly interact with the mode. Unlike previous theories of anomalous transport, the estimates of diffusion and transport obtained here are self-consistent, since the trapped particles do not ''see'' the magnetic flutter due to their rapid bounce motion. The theory is valid for moderate electron-temperature, high ion-temperature (auxiliary-heated) plasmas, and as such, is relevant for present and future-generation experimental fusion devices.
Theory of the nonlinear rheology of topologically entangled rod fluids
NASA Astrophysics Data System (ADS)
Schweizer, Ken; Sussman, Daniel
2012-02-01
Our first-principles microscopic theory of the tube confinement field and dynamics of topologically entangled rod fluids is extended to describe nonlinear rheology. Stress generically weakens tube constraints, resulting in a competition between reptation and transverse activated entropic barrier hopping. For a step-strain deformation, four distinct nonlinear relaxation regimes are predicted with increasing strain amplitude: quiescent-like reptation, strongly accelerated reptation due to stress-induced tube dilation, relaxation dominated by lateral barrier hopping, and, beyond a critical strain of order unity, an initially complete destruction of the tube constraint (microscopic yielding) followed by a re-entanglement process with complex kinetics and multi-step stress relaxation. A theory for continuous start up shear has also been formulated. In the nonlinear regime, deformation-rate-dependent stress overshoots are predicted. In the nonequilibrium steady state, strong shear thinning occurs determined largely by the rate-dependent dilated tube diameter. At very high Weissenberg numbers, a stress plateau in the flow curve is predicted and relaxation is controlled by a convective-constraint-release-like process that self-consistently emerges within the theory.
Complex fluids with robustly tunable optical properties: experiments and theory
NASA Astrophysics Data System (ADS)
Cong, T.; Wani, S. N.; Sangani, A. S.; Sureshkumar, R.; Syracuse University Team
2011-03-01
Fluids with tunable optical properties are of fundamental and practical interest. They can be easily processed to manufacture thin films and interfaces for applications such as molecular detection and light trapping in photovoltaics. We use solution phase self-assembly to uniformly distribute various metallic nanoparticles to produce stable suspensions with localized, multiple wavelength or broad-band optical properties. Their spectral response can be robustly modified by varying the species, concentration, size and/or shape of the nanoparticles. Spectral behavior for finite particle concentrations can be predicted by an effective medium theory developed in this work. Structure, rheology and optical properties of these plasmonic suspensions as well as their potential application to high efficiency photovoltaics design will be discussed. NSF Grant 1049454.
Discrete perturbation theory for continuous soft-core potential fluids.
Cervantes, L A; Jaime-Muñoz, G; Benavides, A L; Torres-Arenas, J; Sastre, F
2015-03-21
In this work, we present an equation of state for an interesting soft-core continuous potential [G. Franzese, J. Mol. Liq. 136, 267 (2007)] which has been successfully used to model the behavior of single component fluids that show some water-type anomalies. This equation has been obtained using discrete perturbation theory. It is an analytical expression given in terms of density, temperature, and the set of parameters that characterize the intermolecular interaction. Theoretical results for the vapor-liquid phase diagram and for supercritical pressures are compared with previous and new simulation data and a good agreement is found. This work also clarifies discrepancies between previous Monte Carlo and molecular dynamics simulation results for this potential. PMID:25796255
Minimal continuum theories of structure formation in dense active fluids
NASA Astrophysics Data System (ADS)
Dunkel, Jörn; Heidenreich, Sebastian; Bär, Markus; Goldstein, Raymond E.
2013-04-01
Self-sustained dynamical phases of living matter can exhibit remarkable similarities over a wide range of scales, from mesoscopic vortex structures in microbial suspensions and motility assays of biopolymers to turbulent large-scale instabilities in flocks of birds or schools of fish. Here, we argue that, in many cases, the phenomenology of such active states can be efficiently described in terms of fourth- and higher-order partial differential equations. Structural transitions in these models can be interpreted as Landau-type kinematic transitions in Fourier (wavenumber) space, suggesting that microscopically different biological systems can share universal long-wavelength features. This general idea is illustrated through numerical simulations for two classes of continuum models for incompressible active fluids: a Swift-Hohenberg-type scalar field theory, and a minimal vector model that extends the classical Toner-Tu theory and appears to be a promising candidate for the quantitative description of dense bacterial suspensions. We discuss how microscopic symmetry-breaking mechanisms can enter macroscopic continuum descriptions of collective microbial motion near surfaces, and conclude by outlining future applications.
Theory of surface light scattering from a fluid-fluid interface with adsorbed polymeric surfactants
NASA Astrophysics Data System (ADS)
Buzza, D. M. A.; Jones, J. L.; McLeish, T. C. B.; Richards, R. W.
1998-09-01
We present a microscopic theory for the interfacial rheology of a fluid-fluid interface with adsorbed surfactant and calculate the effect of this on surface light scattering from the interface. We model the head and tail groups of the surfactant as polymer chains, a description that becomes increasingly accurate for large molecular weight surfactants, i.e., polymeric surfactants. Assuming high surface concentrations so that we have a double-sided polymer brush monolayer, we derive microscopic scaling expressions for the surface viscoelastic constants using the Alexander-deGennes model. Our results for the surface elastic constants agree with those in the literature, while the results for the viscous constants are new. We find that four elastic constants, i.e., γ (surface tension), ɛ (dilational elasticity), κ (bending modulus), λ (coupling constant), and three viscous constants, i.e., ɛ',κ',λ' (the viscous counterparts of ɛ, κ, and λ, respectively) are required for a general description of interfacial viscoelasticity (neglecting in-plane shear). In contrast to current phenomenological models, we find (1) there is no viscous counterpart to γ, i.e., γ'≡0; (2) there are two additional complex surface constants (i.e., λ+iωλ' and κ+iωκ') due to the finite thickness of the monolayer. Excellent agreement is found comparing our microscopic theory with measurements on diblock copolymer monolayers. We further derive the dispersion relation governing surface hydrodynamic modes and the power spectrum for surface quasielastic light scattering (SQELS) for a general interface parameterized by all the surface viscoelastic constants. Limiting results are presented for (1) liquid-air interfaces; (2) liquid-liquid interfaces with ultralow γ. The significant contribution of κ in the latter case opens up the possibility for a direct measurement of κ using SQELS for polymeric surfactant monolayers. Finally, we show that the coupling constant λ can lead to
Experimental Confirmation of a Causal, Covariant, Relativistic Theory of Dissipative Fluid Flow
NASA Astrophysics Data System (ADS)
Scofield, Dillon; Huq, Pablo
2015-11-01
Using newtonian viscous dissipation stress in covariant, relativistic fluid flow theories leads to a violation of the second law of thermodynamics and to acausality of their predictions. E.g., the Landau & Lifshitz theory, a Lorentz covariant formulation, suffers from these defects. These problems effectively limit such theories to time-independent flow régimes. Thus, these theories are of little fundamental interest to astrophysical, geophysical, or thermonuclear flow modeling. We discuss experimental confirmation of the new geometrodynamical theory of fluids solving these problems. This theory is derived from recent results of geometrodynamics showing current conservation implies gauge field creation; the vortex field lemma.
Kijowski, J. ); Smolski, A. ); Gornicka, A. )
1990-03-15
The Hamiltonian formulation of the theory of a gravitational field interacting with a perfect fluid is considered. There is a natural gauge related to the mechanical and thermodynamical properties of the fluid, which enables us to describe 2 degrees of freedom of the gravitational field and 4 degrees of freedom of the fluid (together with 6 conjugate momenta) by nonconstrained data ({ital g},{ital P}) where {ital g} is a 3-dimensional metric and {ital P} is the corresponding Arnowitt-Deser-Misner momentum. The Hamiltonian of the theory, numerically equal to the entropy of the fluid, generates uniquely the evolution of the data. The Hamiltonian vanishes on the data satisfying the vacuum constraint equations and tends to infinity elsewhere as the amount of the matter tends to zero. In this way the vacuum theory with constraints is obtained as a limiting case of a deep potential well'' theory.
Malijevský, Alexandr; Jackson, George; Varga, Szabolcs
2008-10-14
The extension of Onsager's second-virial theory [L. Onsager, Ann. N.Y. Acad. Sci. 51, 627 (1949)] for the orientational ordering of hard rods to mixtures of nonspherical hard bodies with finite length-to-breadth ratios is examined using the decoupling approximations of Parsons [Phys. Rev. A 19, 1225 (1979)] and Lee [J. Chem. Phys. 86, 6567 (1987); 89, 7036 (1988)]. Invariably the extension of the Parsons-Lee (PL) theory to mixtures has in the past involved a van der Waals one-fluid treatment in which the properties of the mixture are approximated by those of a reference one-component hard-sphere fluid with an effective diameter which depends on the composition of the mixture and the molecular parameters of the various components; commonly this is achieved by equating the molecular volumes of the effective hard sphere and of the components in the mixture and is referred to as the PL theory of mixtures. It is well known that a one-fluid treatment is not the most appropriate for the description of the thermodynamic properties of isotropic fluids, and inadequacies are often rectified with a many-fluid (MF) theory. Here, we examine MF theories which are developed from the virial theorem and the virial expansion of the Helmholtz free energy of anisotropic fluid mixtures. The use of the decoupling approximation of the pair distribution function at the level of a multicomponent hard-sphere reference system leads to our MF Parsons (MFP) theory of anisotropic mixtures. Alternatively the mapping of the virial coefficients of the hard-body mixtures onto those of equivalent hard-sphere systems leads to our MF Lee (MFL) theory. The description of the isotropic-nematic phase behavior of binary mixtures of hard Gaussian overlap particles is used to assess the adequacy of the four different theories, namely, the original second-virial theory of Onsager, the usual PL one-fluid theory, and the MF theories based on the Lee (MFL) and Parsons (MFP) approaches. A comparison with the
Brandani, V.; Prausnitz, J. M.
1982-01-01
In this last of three articles describing a two-fluid theory of liquid mixtures, the important result is a derivation of local compositions to describe nonrandomness (clustering) of mixing. The model is applied to the system methane/tetrafluoromethane. Although it appears that the two-fluid theory with local compositions may provide an improvement over random-mixing theories, it is likely that the use of local compositions overestimates the effect of nonrandomness. PMID:16593228
On the theory of phase transitions in magnetic fluids
Zubarev, A. Yu. Iskakova, L. Yu.
2007-11-15
Particles of magnetic fluids (ferrofluids), as is known from experiments, can condense to bulk dense phases at low temperatures (that are close to room temperature) in response to an external magnetic field. It is also known that a uniform external magnetic field increases the threshold temperature of the observed condensation, thus stimulating the condensation process. Within the framework of early theories, this phenomenon is interpreted as a classical gas-liquid phase transition in a system of individual particles involved in a dipole-dipole interaction. However, subsequent investigations have revealed that, before the onset of a bulk phase transition, particles can combine to form a chain cluster or, possibly, a topologically more complex heterogeneous cluster. In an infinitely strong magnetic field, the formation of chains apparently suppresses the onset of a gas-liquid phase transition and the condensation of magnetic particles most likely proceeds according to the scenario of a gas-solid phase transition with a wide gap between spinodal branches. This paper reports on the results of investigations into the specific features of the condensation of particles in the absence of an external magnetic field. An analysis demonstrates that, despite the formation of chains, the condensation of particles in this case can proceed according to the scenario of a gas-liquid phase transition with a critical point in the continuous binodal. Consequently, a uniform magnetic field not only can stimulate the condensation phase transition in a system of magnetic particles but also can be responsible for a qualitative change in the scenario of the phase transition. This inference raises the problem regarding a threshold magnetic field in which there occurs a change in the scenario of the phase transition.
Towards a statistical mechanical theory of active fluids.
Marini Bettolo Marconi, Umberto; Maggi, Claudio
2015-12-01
We present a stochastic description of a model of N mutually interacting active particles in the presence of external fields and characterize its steady state behavior in the absence of currents. To reproduce the effects of the experimentally observed persistence of the trajectories of the active particles we consider a Gaussian force having a non-vanishing correlation time τ, whose finiteness is a measure of the activity of the system. With these ingredients we show that it is possible to develop a statistical mechanical approach similar to the one employed in the study of equilibrium liquids and to obtain the explicit form of the many-particle distribution function by means of the multidimensional unified colored noise approximation. Such a distribution plays a role analogous to the Gibbs distribution in equilibrium statistical mechanics and provides complete information about the microscopic state of the system. From here we develop a method to determine the one- and two-particle distribution functions in the spirit of the Born-Green-Yvon (BGY) equations of equilibrium statistical mechanics. The resulting equations which contain extra-correlations induced by the activity allow us to determine the stationary density profiles in the presence of external fields, the pair correlations and the pressure of active fluids. In the low density regime we obtained the effective pair potential ϕ(r) acting between two isolated particles separated by a distance, r, showing the existence of an effective attraction between them induced by activity. Based on these results, in the second half of the paper we propose a mean field theory as an approach simpler than the BGY hierarchy and use it to derive a van der Waals expression of the equation of state. PMID:26387914
Thermodynamic perturbation theory for fused hard-sphere and hard-disk chain fluids
Zhou, Y.; Hall, C.K.; Stell, G.
1995-08-15
We find that first-order thermodynamic perturbation theory (TPT1) which incorporates the reference monomer fluid used in the generalized Flory--{ital AB} (GF--{ital AB}) theory yields an equation of state for fused hard-sphere (FHS) chain fluids that has accuracy comparable to the GF--{ital AB} and GF--dimer--{ital AC} theories. The new TPT1 equation of state is significantly more accurate than other extensions of the TPT1 theory to FHS chain fluids. The TPT1 is also extended to two-dimensional fused hard-disk chain fluids. For the fused hard-disk dimer fluid, the extended TPT1 equation of state is found to be more accurate than the Boublik hard-disk dimer equation of state. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.
NASA Astrophysics Data System (ADS)
Wang, L. X.; Kamath, H.
2006-12-01
A dynamical mathematical model is proposed to model the hysteretic behaviour of magnetorheological fluids and dampers using phase-transition theory. To construct the model involving hysteresis, the magnetorheological fluids are assumed to be switchable between different phases upon the application of a shear strain rate, with one solid-like phase and two fluid-like phases. The Landau theory for phase transition is employed to model the dynamics of the phase transition in the fluids. The proposed model is able to capture hysteresis loops, and is rate dependent (frequency dependent). A comparison between predicted and experimental behaviour of the damper is presented, and perfect agreement is obtained.
A coupled deformation-diffusion theory for fluid-saturated porous solids
NASA Astrophysics Data System (ADS)
Henann, David; Kamrin, Ken; Anand, Lallit
2012-02-01
Fluid-saturated porous materials are important in several familiar applications, such as the response of soils in geomechanics, food processing, pharmaceuticals, and the biomechanics of living bone tissue. An appropriate constitutive theory describing the coupling of the mechanical behavior of the porous solid with the transport of the fluid is a crucial ingredient towards understanding the material behavior in these varied applications. In this work, we formulate and numerically implement in a finite-element framework a large-deformation theory for coupled deformation-diffusion in isotropic, fluid-saturated porous solids. The theory synthesizes the classical Biot theory of linear poroelasticity and the more-recent Coussy theory of poroplasticity in a large deformation framework. In this talk, we highlight several salient features of our theory and discuss representative examples of the application of our numerical simulation capability to problems of consolidation as well as deformation localization in granular materials.
Conformally flat static spherically symmetric perfect-fluid distribution in Einstein-Cartan theory
NASA Astrophysics Data System (ADS)
Kalyanshetti, S. B.; Waghmode, B. B.
1983-06-01
We consider the static, conformally flat spherically symmetric perfect-fluid distribution in Einstein-Cartan theory and obtain the field equations. These field equations are solved by adopting Hehl's approach with the assumption that the spins of the particles composing the fluid are all aligned in the radial direction only and the reality conditions are discussed.
TOWARD A THEORY OF SUSTAINABLE SYSTEMS. FLUID PHASE EQUILIBRIA: JOURNAL ARTICLE
NRMRL/STD JOURNAL NRMRL-CIN-1364 Cabezas*, H., and Fath**, B.D. Toward a Theory of Sustainable Systems. Fluid Phase Equilibria (Nakanishi, K., Yasukiko, A., Miyano, Y. (Ed.), Elsevier Science B.V.) 194-197:3-14 (2002). EPA/600/J-02/186, www.elsevier.com/locate/fluid. 03/2...
Fluid Stochastic Petri Nets: Theory, Applications, and Solution
NASA Technical Reports Server (NTRS)
Horton, Graham; Kulkarni, Vidyadhar G.; Nicol, David M.; Trivedi, Kishor S.
1996-01-01
In this paper we introduce a new class of stochastic Petri nets in which one or more places can hold fluid rather than discrete tokens. We define a class of fluid stochastic Petri nets in such a way that the discrete and continuous portions may affect each other. Following this definition we provide equations for their transient and steady-state behavior. We present several examples showing the utility of the construct in communication network modeling and reliability analysis, and discuss important special cases. We then discuss numerical methods for computing the transient behavior of such nets. Finally, some numerical examples are presented.
Gas bearings. [fluid lubrication theory of sliding contact surfaces
NASA Technical Reports Server (NTRS)
Pan, C. H. T.
1980-01-01
The present work deals with the fundamentals of gas lubrication theory, which forms the foundation of all analytical design tools for gas bearings. Most of the hard lessons learned in the past are outlined with reference to dry contact, debris ingestion, sliding speed, and chemical stability of lubricant. The mathematical theory of gas lubrication is described for scaling rules in thin-film viscous flow, momentum conservation, mass conservation, energy conservation, isothermal gas bearing theory, coupling effects, and global bearing characteristics. Particular attention is given to the governing differential equations for common bearing configurations. Also discussed are representative solutions of self-acting gas bearings, externally pressurized bearings, and time-dependent effects.
Brandani, V.; Prausnitz, J. M.
1982-01-01
This paper is the second of three describing a two-fluid theory of binary liquid mixtures. The general theory presented in the preceding paper is used to derive a model for calculating thermodynamic properties of hard-sphere mixtures. Calculations indicate that desirable boundary conditions are satisfied. PMID:16593220
The effective field theory of multi-component fluids
Ballesteros, Guillermo; Bellazzini, Brando; Mercolli, Lorenzo E-mail: brando.bellazzini@cea.fr
2014-05-01
We study the effective Lagrangian, at leading order in derivatives, that describes the propagation of density and metric fluctuations in a fluid composed by an arbitrary number of interacting components. Our results can be applied to any situation in cosmology where different species have non-gravitational interactions. In time-dependent backgrounds, such as FLRW, the quadratic action can only be diagonalized at fixed time slices and flavour mixing is unavoidable as time flows. In spite of this, the fluid can be interpreted at the level of the linear equations of motion as an ensemble of individual interacting species. We show that interactions lead to anisotropic stresses that depend on the mixing terms in the quadratic action for perturbations. In addition to the standard entrainment among different components, we find a new operator in the effective action that behaves as a cosmological constant when it dominates the dynamics.
Kinetic and fluid theory of microwave breakdown in air
Roussel-Dupre, R.A.; Murphy, T.; Johnson, A.
1987-01-01
We have developed time-dependent fluid and kinetic treatments of electron transport in air in the presence of a propagating microwave pulse. In both cases the HPM pulses are assumed to be of short enough duration so that electron spatial diffusion can be neglected. In addition, we limit our calculations to the non-relativistic regime where effects due to the ponderomotive force are negligible. 6 refs., 4 figs.
Fluid Registration of Diffusion Tensor Images Using Information Theory
Chiang, Ming-Chang; Leow, Alex D.; Klunder, Andrea D.; Dutton, Rebecca A.; Barysheva, Marina; Rose, Stephen E.; McMahon, Katie L.; de Zubicaray, Greig I.; Toga, Arthur W.; Thompson, Paul M.
2008-01-01
We apply an information-theoretic cost metric, the symmetrized Kullback-Leibler (sKL) divergence, or J-divergence, to fluid registration of diffusion tensor images. The difference between diffusion tensors is quantified based on the sKL-divergence of their associated probability density functions (PDFs). Three-dimensional DTI data from 34 subjects were fluidly registered to an optimized target image. To allow large image deformations but preserve image topology, we regularized the flow with a large-deformation diffeomorphic mapping based on the kinematics of a Navier-Stokes fluid. A driving force was developed to minimize the J-divergence between the deforming source and target diffusion functions, while reorienting the flowing tensors to preserve fiber topography. In initial experiments, we showed that the sKL-divergence based on full diffusion PDFs is adaptable to higher-order diffusion models, such as high angular resolution diffusion imaging (HARDI). The sKL-divergence was sensitive to subtle differences between two diffusivity profiles, showing promise for nonlinear registration applications and multisubject statistical analysis of HARDI data. PMID:18390342
Gyro-fluid and two-fluid theory and simulations of edge-localized-modes
Xu, X. Q.; Dimits, A.; Joseph, I.; Umansky, M. V.; Xi, P. W.; Xia, T. Y.; Gui, B.; Kim, S. S.; Park, G. Y.; Rhee, T.; Jhang, H.; Diamond, P. H.; Dudson, B.; Snyder, P. B.
2013-05-15
This paper reports on the theoretical and simulation results of a gyro-Landau-fluid extension of the BOUT++ code, which contributes to increasing the physics understanding of edge-localized-modes (ELMs). Large ELMs with low-to-intermediate-n peeling-ballooning (P-B) modes are significantly suppressed due to finite Larmor radius (FLR) effects when the ion temperature increases. For type-I ELMs, it is found from linear simulations that retaining complete first order FLR corrections as resulting from the incomplete “gyroviscous cancellation” in Braginskii's two-fluid model is necessary to obtain good agreement with gyro-fluid results for high ion temperature cases (T{sub i}≽3 keV) when the ion density has a strong radial variation, which goes beyond the simple local model of ion diamagnetic stabilization of ideal ballooning modes. The maximum growth rate is inversely proportional to T{sub i} because the FLR effect is proportional to T{sub i}. The FLR effect is also proportional to toroidal mode number n, so for high n cases, the P-B mode is stabilized by FLR effects. Nonlinear gyro-fluid simulations show results that are similar to those from the two-fluid model, namely that the P-B modes trigger magnetic reconnection, which drives the collapse of the pedestal pressure. Due to the additional FLR-corrected nonlinear E × B convection of the ion gyro-center density, for a ballooning-dominated equilibrium the gyro-fluid model further limits the radial spreading of ELMs. In six-field two fluid simulations, the parallel thermal diffusivity is found to prevent the ELM encroachment further into core plasmas and therefore leads to steady state L-mode profiles. The simulation results show that most energy is lost via ion channel during an ELM event, followed by particle loss and electron energy loss. Because edge plasmas have significant spatial inhomogeneities and complicated boundary conditions, we have developed a fast non-Fourier method for the computation of Landau-fluid
Systematic investigation of theories of transport in the Lennard-Jones fluid
NASA Astrophysics Data System (ADS)
Dyer, Kippi M.; Pettitt, B. M.; Stell, George
2007-01-01
Three kinetic theories of transport are investigated for the single-species Lennard-Jones model fluid. Transport coefficients, including diffusion, shear, and bulk viscosity, are calculated from these theories for the Lennard-Jones fluid across the fluid regions of the phase diagram. The results are systematically compared against simulation. It is found that for each transport property considered, there is at least one theoretical result based on approximations that have been systematically derived from a first-principles starting point that is quantitatively useful over a wide range of densities and temperatures. To the authors' knowledge, this article constitutes the first such compendium of results for the Lennard-Jones model fluid that has been assembled.
Theory of trapped-particle-induced resistive fluid turbulence
Biglari, H.; Diamond, P.H.
1987-12-01
A theory of anomalous electron heat transport, evolving from trapped-particle-induced resistive interchange modes, is proposed. The latter are a new branch of the resistive interchange-ballooning family of instabilities, destabilized when the pressure carried by the unfavorably drifting trapped particles is sufficiently large to overcome stabilizing contributions coming from favorable average curvature. Expressions for the turbulent heat diffusivity and anomalous electron thermal conductivity at saturation are derived for two regimes of trapped-particle energy: (I) a moderately energetic regime, which is ''fluidlike'' in the sense that the unstable mode grows faster than the time that it takes for particles in this energy range to precess once around the torus, and (II) a highly energetic regime, where the trapped species has sufficiently high energy as to be able to interact resonantly with the mode. Unlike previous theories of anomalous transport, the estimates of diffusion and transport obtained here are self-consistent since the trapped particles do not ''see'' the magnetic flutter due to their rapid bounce motion. The theory is valid for moderate electron-temperature, high ion-temperature (auxiliary heated) plasmas and as such, is relevant for present- and future-generation experimental fusion devices.
Theory and Fluid Simulations of Boundary Plasma Fluctuations
Cohen, R H; LaBombard, B; LoDestro, L L; Rognlien, T D; Ryutov, D D; Terry, J L; Umansky, M V; Xu, X Q; Zweben, S
2007-01-09
Theoretical and computational investigations are presented of boundary plasma microturbulence that take into account important effects of the geometry of diverted tokamaks--in particular, the effect of x-point magnetic shear and the termination of field lines on divertor plates. We first generalize our previous 'heuristic boundary condition' which describes, in a lumped model, the closure of currents in the vicinity of the x-point region to encompass three current-closure mechanisms. We then use this boundary condition to derive the dispersion relation for low-beta flute-like modes in the divertor-leg region under the combined drives of curvature, sheath impedance, and divertor tilt effects. The results indicate the possibility of strongly growing instabilities, driven by sheath boundary conditions, and localized in either the private or common flux region of the divertor leg depending on the radial tilt of divertor plates. We re-visit the issue of x-point effects on blobs, examining the transition from blobs terminated by x-point shear to blobs that extend over both the main SOL and divertor legs. We find that, for a main-SOL blob, this transition occurs without a free-acceleration period as previously thought, with x-point termination conditions applying until the blob has expanded to reach the divertor plate. We also derive propagation speeds for divertor-leg blobs. Finally, we present fluid simulations of the C-Mod tokamak from the BOUT edge fluid turbulence code, which show main-SOL blob structures with similar spatial characteristics to those observed in the experiment, and also simulations which illustrate the possibility of fluctuations confined to divertor legs.
Mass dependence of shear viscosity in a binary fluid mixture: mode-coupling theory.
Ali, Sk Musharaf; Samanta, Alok; Choudhury, Niharendu; Ghosh, Swapan K
2006-11-01
An expression for the shear viscosity of a binary fluid mixture is derived using mode-coupling theory in order to study the mass dependence. The calculated results on shear viscosity for a binary isotopic Lennard-Jones fluid mixture show good agreement with results from molecular dynamics simulation carried out over a wide range of mass ratio at different composition. Also proposed is a new generalized Stokes-Einstein relation connecting the individual diffusivities to shear viscosity. PMID:17279895
Tensorial density functional theory for non-spherical hard-body fluids.
Hansen-Goos, Hendrik; Mecke, Klaus
2010-09-15
In a recent publication (Hansen-Goos and Mecke 2009 Phys. Rev. Lett. 102 018302) we constructed a free energy functional for the inhomogeneous hard-body fluid, which reduces to Rosenfeld's fundamental measure theory (Rosenfeld 1989 Phys. Rev. Lett. 63 980) when applied to hard spheres. The new functional is able to yield the isotropic-nematic transition for the hard-spherocylinder fluid in contrast to Rosenfeld's fundamental measure theory for non-spherical particles (Rosenfeld 1994 Phys. Rev. E 50 R3318). The description of inhomogeneous isotropic fluids is also improved when compared with data from Monte Carlo simulations for hard spherocylinders in contact with a planar hard wall. However, the new functional for the inhomogeneous fluid in general does not comply with the exact second order virial expansion. We introduced the ζ correction in order to minimize the deviation from Onsager's exact result in the isotropic bulk fluid. In this article we give a detailed account of the construction of the new functional. An extension of the ζ correction makes the latter better suited for non-isotropic particle distributions. The extended ζ correction is shown to improve the description of the isotropic-nematic bulk phase diagram while it has little effect on the results for the isotropic but inhomogeneous hard-spherocylinder fluid. We argue that the gain from using higher order tensorial weighted densities in the theory is likely to be inferior to the associated increase in complexity. PMID:21386523
On Flexible Tubes Conveying Fluid: Geometric Nonlinear Theory, Stability and Dynamics
NASA Astrophysics Data System (ADS)
Gay-Balmaz, François; Putkaradze, Vakhtang
2015-08-01
We derive a fully three-dimensional, geometrically exact theory for flexible tubes conveying fluid. The theory also incorporates the change of the cross section available to the fluid motion during the dynamics. Our approach is based on the symmetry-reduced, exact geometric description for elastic rods, coupled with the fluid transport and subject to the volume conservation constraint for the fluid. We first derive the equations of motion directly, by using an Euler-Poincaré variational principle. We then justify this derivation with a more general theory elucidating the interesting mathematical concepts appearing in this problem, such as partial left (elastic) and right (fluid) invariance of the system, with the added holonomic constraint (volume). We analyze the fully nonlinear behavior of the model when the axis of the tube remains straight. We then proceed to the linear stability analysis and show that our theory introduces important corrections to previously derived results, both in the consistency at all wavelength and in the effects arising from the dynamical change of the cross section. Finally, we derive and analyze several analytical, fully nonlinear solutions of traveling wave type in two dimensions.
Scaled Particle Theory for Multicomponent Hard Sphere Fluids Confined in Random Porous Media.
Chen, W; Zhao, S L; Holovko, M; Chen, X S; Dong, W
2016-06-23
The formulation of scaled particle theory (SPT) is presented for a quite general model of fluids confined in a random porous media, i.e., a multicomponent hard sphere (HS) fluid in a multicomponent hard sphere or a multicomponent overlapping hard sphere (OHS) matrix. The analytical expressions for pressure, Helmholtz free energy, and chemical potential are derived. The thermodynamic consistency of the proposed theory is established. Moreover, we show that there is an isomorphism between the SPT for a multicomponent system and that for a one-component system. Results from grand canonical ensemble Monte Carlo simulations are also presented for a binary HS mixture in a one-component HS or a one-component OHS matrix. The accuracy of various variants derived from the basic SPT formulation is appraised against the simulation results. Scaled particle theory, initially formulated for a bulk HS fluid, has not only provided an analytical tool for calculating thermodynamic properties of HS fluid but also helped to gain very useful insight for elaborating other theoretical approaches such as the fundamental measure theory (FMT). We expect that the general SPT for multicomponent systems developed in this work can contribute to the study of confined fluids in a similar way. PMID:27294670
Simple and accurate theory for strong shock waves in a dense hard-sphere fluid.
Montanero, J M; López de Haro, M; Santos, A; Garzó, V
1999-12-01
Following an earlier work by Holian et al. [Phys. Rev. E 47, R24 (1993)] for a dilute gas, we present a theory for strong shock waves in a hard-sphere fluid described by the Enskog equation. The idea is to use the Navier-Stokes hydrodynamic equations but taking the temperature in the direction of shock propagation rather than the actual temperature in the computation of the transport coefficients. In general, for finite densities, this theory agrees much better with Monte Carlo simulations than the Navier-Stokes and (linear) Burnett theories, in contrast to the well-known superiority of the Burnett theory for dilute gases. PMID:11970718
Indications of a nontrivial vacuum in the effective theory of perfect fluids
NASA Astrophysics Data System (ADS)
Burch, Tommy; Torrieri, Giorgio; LSS Collaboration
2015-07-01
Using lattice field theory techniques, we investigate the vacuum structure of the field theory corresponding to perfect fluid dynamics in the Lagrangian prescription. We find intriguing, but inconclusive evidence, that the vacuum of such a theory is nontrivial, casting doubts on whether the gradient expansion can provide a good effective field theory for this type of system. The nontrivial vacuum looks like a "turbulent" state where some of the entropy is carried by macroscopic degrees of freedom. We describe further steps to strengthen or falsify this evidence.
The FRW Universes with Barotropic Fluids in Jordan-Brans-Dicke Theory
NASA Astrophysics Data System (ADS)
Chauvet-Alducin, P.
The description of homogeneous and isotropic models for the expansion of the Universe represented by a perfect, barotropic, fluid pose mathematical difficulties that have been overcome when the space is non-flat in scalar-tensor theories only if the energy-stress tensor is vacuous or describes stiff matter, incoherent radiation or ultrarelativistic matter. This paper reveals the dynamics for these and the other ideal fluid models, in non-flat spaces mainly, for the Jordan-Brans-Dicke cosmological theory by showing that its field equations, when written in terms of reduced variables, allow their straightforward partial integration.
NASA Astrophysics Data System (ADS)
Mirigian, Stephen; Schweizer, Kenneth S.
2014-05-01
We generalize the force-level nonlinear Langevin equation theory of single particle hopping to include collective effects associated with long range elastic distortion of the liquid. The activated alpha relaxation event is of a mixed spatial character, involving two distinct, but inter-related, local and collective barriers. There are no divergences at volume fractions below jamming or temperatures above zero Kelvin. The ideas are first developed and implemented analytically and numerically in the context of hard sphere fluids. In an intermediate volume fraction crossover regime, the local cage process is dominant in a manner consistent with an apparent Arrhenius behavior. The super-Arrhenius collective barrier is more strongly dependent on volume fraction, dominates the highly viscous regime, and is well described by a nonsingular law below jamming. The increase of the collective barrier is determined by the amplitude of thermal density fluctuations, dynamic shear modulus or transient localization length, and a growing microscopic jump length. Alpha relaxation time calculations are in good agreement with recent experiments and simulations on dense fluids and suspensions of hard spheres. Comparisons of the theory with elastic models and entropy crisis ideas are explored. The present work provides a foundation for constructing a quasi-universal, fit-parameter-free theory for relaxation in thermal molecular liquids over 14 orders of magnitude in time.
Theories of surface-driven segregation in polymer fluids
NASA Astrophysics Data System (ADS)
Wong, Ka Yiu
1998-10-01
Three polymer interfacial systems-thin films of diblock copolymer melts, polymer blends near surfaces, and surface segregation of athermal polymer blends-are studied by density functional theory. We analyze the weak-segregation, thermodynamic predictions of a simple mean-field model of diblock copolymer melts sandwiched between surfaces that interact weakly with melts. These films may not exhibit a phase transition although the segregation that develops within them resembles ordering in the bulk. When transitions occur, they result from a competition between surface and bulk effects and have no bulk analogue. Thin films confined by identical surfaces or surfaces having equal-in-magnitude but opposite affinities for the monomers may exhibit first- and second-order transitions when the melt-surface interactions are small. Second-order transitions do not occur in films with large surface affinities. The instabilities that lead to the second-order transitions in films disappear with increases in the film thickness. We also investigate the long-wavelength features of near- surface composition profiles of monomers in a binary, symmetric blend with an external field gradient expansion. The gradient expansion includes information about correlations of polymer chains with the surface. Relative to simpler theories of polymer-surface adsorption, our theory predicts a small increase of the interfacial width. We illustrate a derivation of a surface-boundary condition on the composition profile directly from the monomer-surface Hamiltonian. This boundary condition, when combined with our density functional analysis, leads to first-order wetting transitions. Finally, our work on surface segregation of athermal blends is presented. We study the effect on surface segregation due to disparity in molecular weights, stiffness of polymer chains, and sizes of the monomers. Our results suggest that disparity in molecular weights do not lead to a profound surface segregation. In the study
Stability, Causality, and Shock Waves in the Israel - Theory of Relativistic Dissipative Fluids.
NASA Astrophysics Data System (ADS)
Olson, Timothy Scott
1990-08-01
The stability, causality, and hyperbolicity properties were analyzed for the Israel-Stewart theory of relativistic dissipative fluids formulated in the energy frame. The equilibria of the theory which are stable for small perturbations were found by constructing a Liapunov functional. The conditions which guarantee that small perturbations about equilibrium will propagate with velocities less than the speed of light and will obey a system of hyperbolic differential equations were determined by calculating the characteristic velocities. It was shown that the stability conditions are equivalent to the causality and hyperbolicity conditions. The behavior of the theory far from equilibrium was studied by considering the plane symmetric motions of an inviscid ultrarelativistic Boltzmann gas. The theory was shown to be hyperbolic for large deviations from equilibrium, and acausality implies instability in this example. The plane steady shock wave solutions were also studied for the Israel-Stewart theory formulated in the Eckart frame. The theory was shown to fail to adequately describe the structure of strong shock waves. Physically acceptable solutions do not exist above a maximum upstream Mach number in any thermally nonconducting and viscous fluid described by the theory because the solutions become multiple-valued when the characteristic velocity is exceeded. It was also proven that physically acceptable solutions do not exist for thermally conducting and viscous fluids above either a maximum upstream Mach number, or else below a minimum downstream Mach number (or both). These limiting Mach numbers again correspond to the characteristic velocities of the fluid. Only extremely weak plane steady shock solutions can be single-valued in the Israel-Stewart theory for the ultrarelativistic Boltzmann gas or for the degenerate free Fermi gas.
Theory and Validation of Magnetic Resonance Fluid Motion Estimation Using Intensity Flow Data
Wong, Kelvin Kian Loong; Kelso, Richard Malcolm; Worthley, Stephen Grant; Sanders, Prashanthan; Mazumdar, Jagannath; Abbott, Derek
2009-01-01
Background Motion tracking based on spatial-temporal radio-frequency signals from the pixel representation of magnetic resonance (MR) imaging of a non-stationary fluid is able to provide two dimensional vector field maps. This supports the underlying fundamentals of magnetic resonance fluid motion estimation and generates a new methodology for flow measurement that is based on registration of nuclear signals from moving hydrogen nuclei in fluid. However, there is a need to validate the computational aspect of the approach by using velocity flow field data that we will assume as the true reference information or ground truth. Methodology/Principal Findings In this study, we create flow vectors based on an ideal analytical vortex, and generate artificial signal-motion image data to verify our computational approach. The analytical and computed flow fields are compared to provide an error estimate of our methodology. The comparison shows that the fluid motion estimation approach using simulated MR data is accurate and robust enough for flow field mapping. To verify our methodology, we have tested the computational configuration on magnetic resonance images of cardiac blood and proved that the theory of magnetic resonance fluid motion estimation can be applicable practically. Conclusions/Significance The results of this work will allow us to progress further in the investigation of fluid motion prediction based on imaging modalities that do not require velocity encoding. This article describes a novel theory of motion estimation based on magnetic resonating blood, which may be directly applied to cardiac flow imaging. PMID:19270756
NASA Astrophysics Data System (ADS)
Yadav, R. B. S.; Prasad, U.
1993-05-01
The nonstatic conformally flat spherically symmetric perfect fluid distribution in Einstein-Cartan theory is considered, and the field equations and their general solution are obtained using Hehl's approach (1974). Particular attention is given to the solution in co-moving coordinates and the explicit expressions for pressure, density, expansion, rotation, and shear and nonzero components of flow vector.
Tilted Bianchi Type III Wet Dark Fluid Cosmological Model in Saez and Ballester Theory
NASA Astrophysics Data System (ADS)
Sahu, Subrata Kumar; Kantila, Endale Nigatu; Gebru, Dawit Melese
2016-01-01
Tilted Bianchi-III wet dark fluid cosmological model is investigated in the frame work of Saez and Ballester theory (Phys. Lett. A. 113:467, 1986). Exact solutions to the field equations are derived when the metric potentials are functions of cosmic time only. Some physical and geometrical properties of the solutions are also discussed.
The application of the nonsmooth critical point theory to the stationary electrorheological fluids
NASA Astrophysics Data System (ADS)
Qian, Chenyin
2016-06-01
In this paper, we prove the existence of variational solutions to systems modeling electrorheological fluids in the stationary case. Our method of proof is based on the nonsmooth critical point theory for locally Lipschitz functional and the properties of the generalized Lebesgue-Sobolev space.
On wave propagation characteristics in fluid saturated porous materials by a nonlocal Biot theory
NASA Astrophysics Data System (ADS)
Tong, Lihong; Yu, Yang; Hu, Wentao; Shi, Yufeng; Xu, Changjie
2016-09-01
A nonlocal Biot theory is developed by combing Biot theory and nonlocal elasticity theory for fluid saturated porous material. The nonlocal parameter is introduced as an independent variable for describing wave propagation characteristics in poroelastic material. A physical insight on nonlocal term demonstrates that the nonlocal term is a superposition of two effects, one is inertia force effect generated by fluctuation of porosity and the other is pore size effect inherited from nonlocal constitutive relation. Models for situations of excluding fluid nonlocal effect and including fluid nonlocal effect are proposed. Comparison with experiment confirms that model without fluid nonlocal effect is more reasonable for predicting wave characteristics in saturated porous materials. The negative dispersion is observed theoretically which agrees well with the published experimental data. Both wave velocities and quality factors as functions of frequency and nonlocal parameter are examined in practical cases. A few new physical phenomena such as backward propagation and disappearance of slow wave when exceeding critical frequency and disappearing shear wave in high frequency range, which were not predicted by Biot theory, are demonstrated.
ERIC Educational Resources Information Center
Grable-Wallace, Lisa; And Others
1989-01-01
Evaluates seven courseware packages covering the topics of fluid dynamics, kinetic theory, and thermal properties. Discusses the price range, sub-topics, program type, interaction, time, calculus required, graphics, and comments of each courseware. Selects some packages based on the criteria. (YP)
Composition dependence of fluid thermophysical properties: Theory and modeling. Progress report
Ely, J.F.
1993-03-29
Objectives are studies of equilibrium/nonequilibrium properties of asymmetric fluid mixtures through computer simulation (CS), development of predictive theories of mixture equilibrium properties, development and application of selection algorithm methodology for mixture equations of state, and use of theory to develop new engineering design models for fluid mixtures. Kirwood charging method CS of Lennard-Jones mixtures with large size ratios verified the Kirkwood-Buff/Baxter method of calculating chemical potentials. CS of n-butane showed that the rheology is not a function of system size. A modified stepwise regression algorithm was developed and applied to HFC R134a. An analytical expression was developed for conformal solution size correction for mixtures. The extended corresponding states theory (ECST) can be applied to systems having large polarity differences; an accurate representation was developed of bulk phase properties of water-hydrocarbon systems. It was found how to force ECST to reach the correct virial limit.
Dynamic Self-Consistent Field Theory of Inhomogeneous Complex Fluids Under Shear
NASA Astrophysics Data System (ADS)
Mihajlovic, Maja; Lo, Tak Shing; Shnidman, Yitzhak
2003-03-01
Understanding and predicting the interplay between morphology and rheology of sheared, inhomogeneous, complex fluids is of great importance. Yet modeling of such phenomena is in its infancy. We have developed a novel dynamic self-consistent field (DSCF) theory that makes possible detailed computational study of such phenomena. Our DSCF theory couples the time evolution of chain conformation statistics with probabilistic transport equations for volume fractions and momenta, based on local conservation laws formulated on a segmental scale. To generate chain conformation statistics, we are using a modification of the lattice random walk formalism of Scheutjens and Fleer. Their static SCF theory is limited to equilibrium systems, since probability distributions are obtained by free energy minimization, assuming isotropic Gaussian chain conformations. In contrast, our DSCF approach accounts for explicit time evolution of the segmental and (anisotropic) stepping probabilities used for generating chain conformations. We will present highlights of DSCF studies of a variety of inhomogenous fluids containing homopolymers, block copolymers and nanoparticles.
Beyond Poisson-Boltzmann: fluctuations and fluid structure in a self-consistent theory.
Buyukdagli, S; Blossey, R
2016-09-01
Poisson-Boltzmann (PB) theory is the classic approach to soft matter electrostatics and has been applied to numerous physical chemistry and biophysics problems. Its essential limitations are in its neglect of correlation effects and fluid structure. Recently, several theoretical insights have allowed the formulation of approaches that go beyond PB theory in a systematic way. In this topical review, we provide an update on the developments achieved in the self-consistent formulations of correlation-corrected Poisson-Boltzmann theory. We introduce a corresponding system of coupled non-linear equations for both continuum electrostatics with a uniform dielectric constant, and a structured solvent-a dipolar Coulomb fluid-including non-local effects. While the approach is only approximate and also limited to corrections in the so-called weak fluctuation regime, it allows us to include physically relevant effects, as we show for a range of applications of these equations. PMID:27357125
Bianchi Type VI1 Viscous Fluid Cosmological Model in Wesson´s Theory of Gravitation
NASA Astrophysics Data System (ADS)
Khadekar, G. S.; Avachar, G. R.
2007-03-01
Field equations of a scale invariant theory of gravitation proposed by Wesson [1, 2] are obtained in the presence of viscous fluid with the aid of Bianchi type VIh space-time with the time dependent gauge function (Dirac gauge). It is found that Bianchi type VIh (h = 1) space-time with viscous fluid is feasible in this theory, whereas Bianchi type VIh (h = -1, 0) space-times are not feasible in this theory, even in the presence of viscosity. For the feasible case, by assuming a relation connecting viscosity and metric coefficient, we have obtained a nonsingular-radiating model. We have discussed some physical and kinematical properties of the models.
Thermodynamic perturbation theory for associating fluids confined in a one-dimensional pore
Marshall, Bennett D.
2015-06-21
In this paper, a new theory is developed for the self-assembly of associating molecules confined to a single spatial dimension, but allowed to explore all orientation angles. The interplay of the anisotropy of the pair potential and the low dimensional space results in orientationally ordered associated clusters. This local order enhances association due to a decrease in orientational entropy. Unlike bulk 3D fluids which are orientationally homogeneous, association in 1D necessitates the self-consistent calculation of the orientational distribution function. To test the new theory, Monte Carlo simulations are performed and the theory is found to be accurate. It is also shown that the traditional treatment in first order perturbation theory fails to accurately describe this system. The theory developed in this paper may be used as a tool to study hydrogen bonding of molecules in 1D zeolites as well as the hydrogen bonding of molecules in carbon nanotubes.
NASA Astrophysics Data System (ADS)
Kakad, Amar; Omura, Yoshiharu; Kakad, Bharati
2013-06-01
We perform one-dimensional fluid simulation of ion acoustic (IA) solitons propagating parallel to the magnetic field in electron-ion plasmas by assuming a large system length. To model the initial density perturbations (IDP), we employ a KdV soliton type solution. Our simulation demonstrates that the generation mechanism of IA solitons depends on the wavelength of the IDP. The short wavelength IDP evolve into two oppositely propagating identical IA solitons, whereas the long wavelength IDP develop into two indistinguishable chains of multiple IA solitons through a wave breaking process. The wave breaking occurs close to the time when electrostatic energy exceeds half of the kinetic energy of the electron fluid. The wave breaking amplitude and time of its initiation are found to be dependent on characteristics of the IDP. The strength of the IDP controls the number of IA solitons in the solitary chains. The speed, width, and amplitude of IA solitons estimated during their stable propagation in the simulation are in good agreement with the nonlinear fluid theory. This fluid simulation is the first to confirm the validity of the general nonlinear fluid theory, which is widely used in the study of solitary waves in laboratory and space plasmas.
Kakad, Amar; Omura, Yoshiharu; Kakad, Bharati
2013-06-15
We perform one-dimensional fluid simulation of ion acoustic (IA) solitons propagating parallel to the magnetic field in electron-ion plasmas by assuming a large system length. To model the initial density perturbations (IDP), we employ a KdV soliton type solution. Our simulation demonstrates that the generation mechanism of IA solitons depends on the wavelength of the IDP. The short wavelength IDP evolve into two oppositely propagating identical IA solitons, whereas the long wavelength IDP develop into two indistinguishable chains of multiple IA solitons through a wave breaking process. The wave breaking occurs close to the time when electrostatic energy exceeds half of the kinetic energy of the electron fluid. The wave breaking amplitude and time of its initiation are found to be dependent on characteristics of the IDP. The strength of the IDP controls the number of IA solitons in the solitary chains. The speed, width, and amplitude of IA solitons estimated during their stable propagation in the simulation are in good agreement with the nonlinear fluid theory. This fluid simulation is the first to confirm the validity of the general nonlinear fluid theory, which is widely used in the study of solitary waves in laboratory and space plasmas.
Holographic fluid from the nonminimally coupled scalar-tensor theory of gravity
NASA Astrophysics Data System (ADS)
Wu, Bin; Zhao, Liu
2014-05-01
We establish the gravity/fluid correspondence in the nonminimally coupled scalar-tensor theory of gravity. Imposing the Petrov type I boundary condition over the gravitational field, we find that, for a certain class of background metrics, the boundary fluctuations obey the standard Navier-Stokes equation for an incompressible fluid without any external force term in the leading order approximation under the near horizon expansion. That is to say, the scalar field fluctuations do not contribute in the leading order approximation regardless of what kind of boundary condition we impose on it.
NASA Astrophysics Data System (ADS)
Azma, Sahra; Rezazadeh, Ghader; Shabani, Rasoul; Alizadeh-Haghighi, Elnaz
2016-02-01
Viscous damping is a dominant source of energy dissipation in laterally oscillating micro-structures. In micro-resonators in which the characteristic dimensions are comparable to the dimensions of the fluid molecules, the assumption of the continuum fluid theory is no longer justified and the use of micro-polar fluid theory is indispensable. In this paper a mathematical model was presented in order to predict the viscous fluid damping in a laterally oscillating finger of a micro-resonator considering micro-polar fluid theory. The coupled governing partial differential equations of motion for the vibration of the finger and the micro-polar fluid field have been derived. Considering spin and no-spin boundary conditions, the related shape functions for the fluid field were presented. The obtained governing differential equations with time varying boundary conditions have been transformed to an enhanced form with homogenous boundary conditions and have been discretized using a Galerkin-based reduced order model. The effects of physical properties of the micro-polar fluid and geometrical parameters of the oscillating structure on the damping ratio of the system have been investigated.
NASA Astrophysics Data System (ADS)
Azma, Sahra; Rezazadeh, Ghader; Shabani, Rasoul; Alizadeh-Haghighi, Elnaz
2016-06-01
Viscous damping is a dominant source of energy dissipation in laterally oscillating micro-structures. In micro-resonators in which the characteristic dimensions are comparable to the dimensions of the fluid molecules, the assumption of the continuum fluid theory is no longer justified and the use of micro-polar fluid theory is indispensable. In this paper a mathematical model was presented in order to predict the viscous fluid damping in a laterally oscillating finger of a micro-resonator considering micro-polar fluid theory. The coupled governing partial differential equations of motion for the vibration of the finger and the micro-polar fluid field have been derived. Considering spin and no-spin boundary conditions, the related shape functions for the fluid field were presented. The obtained governing differential equations with time varying boundary conditions have been transformed to an enhanced form with homogenous boundary conditions and have been discretized using a Galerkin-based reduced order model. The effects of physical properties of the micro-polar fluid and geometrical parameters of the oscillating structure on the damping ratio of the system have been investigated.
NASA Astrophysics Data System (ADS)
Jover, Julio; Galindo, Amparo; Jackson, George; Müller, Erich A.; Haslam, Andrew J.
2015-09-01
Using both theory and continuum simulation, we examine a system comprising a mixture of polymer chains formed from 100 hard-sphere (HS) segments and HS colloids with a diameter which is 20 times that of the polymer segments. According to Wertheim's first-order thermodynamic perturbation theory (TPT1) this athermal system is expected to phase separate into a colloid-rich and a polymer-rich phase. Using a previously developed continuous pseudo-HS potential [J. F. Jover, A. J. Haslam, A. Galindo, G. Jackson, and E. A. Muller, J. Chem. Phys. 137, 144505 (2012)], we simulate the system at a phase point indicated by the theory to be well within the two-phase binodal region. Molecular-dynamics simulations are performed from starting configurations corresponding to completely phase-separated and completely pre-mixed colloids and polymers. Clear evidence is seen of the stabilisation of two coexisting fluid phases in both cases. An analysis of the interfacial tension of the phase-separated regions is made; ultra-low tensions are observed in line with previous values determined with square-gradient theory and experiment for colloid-polymer systems. Further simulations are carried out to examine the nature of these coexisting phases, taking as input the densities and compositions calculated using TPT1 (and corresponding to the peaks in the probability distribution of the density profiles obtained in the simulations). The polymer chains are seen to be fully penetrable by other polymers. By contrast, from the point of view of the colloids, the polymers behave (on average) as almost-impenetrable spheres. It is demonstrated that, while the average interaction between the polymer molecules in the polymer-rich phase is (as expected) soft-repulsive in nature, the corresponding interaction in the colloid-rich phase is of an entirely different form, characterised by a region of effective intermolecular attraction.
Two fluid scenario for dark energy model in Brans-Dicke theory of gravitation
NASA Astrophysics Data System (ADS)
Reddy, D. R. K.; Anitha, S.; Umadevi, S.
2014-04-01
In this paper, we study the evolution of the dark energy parameter in the spatially homogeneous and isotropic Friedmann-Robertson-Walker (FRW) model filled with barotropic fluid and dark energy in the scalar-tensor theory of gravitation proposed by Brans and Dicke (Phys. Rev. 24:925, 1961). A determinate solution is presented using (i) the special law of variation for Hubble's parameter proposed by Berman (Nuovo Cimento B 74:183, 1983) and (ii) trace free energy momentum tensor of the two fluid. Two cases of interacting and non-interacting fluid (barotropic and dark energy) scenario is considered and general results are obtained. The physical aspects of the results obtained are, also, discussed.
Hlushak, Stepan
2015-09-28
An analytical expression for the Laplace transform of the radial distribution function of a mixture of hard-sphere chains of arbitrary segment size and chain length is used to rigorously formulate the first-order Barker-Henderson perturbation theory for the contribution of the segment-segment dispersive interactions into thermodynamics of the Lennard-Jones chain mixtures. Based on this approximation, a simple variant of the statistical associating fluid theory is proposed and used to predict properties of several mixtures of chains of different lengths and segment sizes. The theory treats the dispersive interactions more rigorously than the conventional theories and provides means for more accurate description of dispersive interactions in the mixtures of highly asymmetric components.
Gyrotropic guiding-center fluid theory for turbulent inhomogeneous magnetized plasma
Jasperse, John R.; Basu, Bamandas; Lund, Eric J.; Bouhram, Mehdi
2006-07-15
In this paper, a new fluid theory is given in the guiding-center and gyrotropic approximation which is derivable from the Vlasov-Maxwell equations. The theory includes the effect of wave-particle interactions for the weakly turbulent, weakly inhomogeneous, nonuniformly magnetized plasma, and it is applicable to a variety of space and laboratory plasmas. It is assumed that the turbulence is random and electrostatic, and that the velocity-space Fokker-Planck operator can be used to calculate the correlation functions that describe the wave-particle interactions. Conservation laws are derived that relate the low-order velocity moments of the particle distributions to the turbulence. The theory is based on the work of Hubbard [Proc. R. Soc. London, Ser. A 260, 114 (1961)] and Ichimaru and Rosenbluth [Phys. Fluids 13, 2778 (1970)]. In the work presented here, the idea is proposed that the fluid equations can be solved (1) by using measurements of the turbulence to specify the electric-field fluctuations; and (2) by using measurements of the low-order velocity moments to specify the initial and boundary conditions.
Kok Yan Chan, G.; Sclavounos, P. D.; Jonkman, J.; Hayman, G.
2015-04-02
A hydrodynamics computer module was developed for the evaluation of the linear and nonlinear loads on floating wind turbines using a new fluid-impulse formulation for coupling with the FAST program. The recently developed formulation allows the computation of linear and nonlinear loads on floating bodies in the time domain and avoids the computationally intensive evaluation of temporal and nonlinear free-surface problems and efficient methods are derived for its computation. The body instantaneous wetted surface is approximated by a panel mesh and the discretization of the free surface is circumvented by using the Green function. The evaluation of the nonlinear loads is based on explicit expressions derived by the fluid-impulse theory, which can be computed efficiently. Computations are presented of the linear and nonlinear loads on the MIT/NREL tension-leg platform. Comparisons were carried out with frequency-domain linear and second-order methods. Emphasis was placed on modeling accuracy of the magnitude of nonlinear low- and high-frequency wave loads in a sea state. Although fluid-impulse theory is applied to floating wind turbines in this paper, the theory is applicable to other offshore platforms as well.
NASA Astrophysics Data System (ADS)
Chakraborty, Sumanta
2015-04-01
The hydrodynamic behavior of perfect fluid orbiting around black holes in spherically symmetric spacetime for various alternative gravity theories has been investigated. For this purpose we have assumed a uniform distribution for the angular momentum density of the rotating perfect fluid. The contours of equipotential surfaces are illustrated in order to obtain the nature of inflow and outflow of matter. It has been noticed that the marginally stable circular orbits originating from decreasing angular momentum density lead to closed equipotential surfaces along with cusps, allowing the existence of accretion disks. On the other hand, the growing part of the angular momentum density exhibits central rings for which stable configurations are possible. However, inflow of matter is prohibited. Among the solutions discussed in this work, the charged F(R) gravity and Einstein-Maxwell-Gauss-Bonnet solutions exhibit inflow and outflow of matter with central rings present. These varied accretion disk structures of perfect fluid attribute astrophysical importance to these spacetimes. The effect of higher curvature terms predominantly arises from the region near the black hole horizon. Hence the structural difference of the accretion disk in modified gravity theories in comparison to general relativity may act as an experimental probe for these alternative gravity theories.
Accurate statistical associating fluid theory for chain molecules formed from Mie segments.
Lafitte, Thomas; Apostolakou, Anastasia; Avendaño, Carlos; Galindo, Amparo; Adjiman, Claire S; Müller, Erich A; Jackson, George
2013-10-21
A highly accurate equation of state (EOS) for chain molecules formed from spherical segments interacting through Mie potentials (i.e., a generalized Lennard-Jones form with variable repulsive and attractive exponents) is presented. The quality of the theoretical description of the vapour-liquid equilibria (coexistence densities and vapour pressures) and the second-derivative thermophysical properties (heat capacities, isobaric thermal expansivities, and speed of sound) are critically assessed by comparison with molecular simulation and with experimental data of representative real substances. Our new EOS represents a notable improvement with respect to previous versions of the statistical associating fluid theory for variable range interactions (SAFT-VR) of the generic Mie form. The approach makes rigorous use of the Barker and Henderson high-temperature perturbation expansion up to third order in the free energy of the monomer Mie system. The radial distribution function of the reference monomer fluid, which is a prerequisite for the representation of the properties of the fluid of Mie chains within a Wertheim first-order thermodynamic perturbation theory (TPT1), is calculated from a second-order expansion. The resulting SAFT-VR Mie EOS can now be applied to molecular fluids characterized by a broad range of interactions spanning from soft to very repulsive and short-ranged Mie potentials. A good representation of the corresponding molecular-simulation data is achieved for model monomer and chain fluids. When applied to the particular case of the ubiquitous Lennard-Jones potential, our rigorous description of the thermodynamic properties is of equivalent quality to that obtained with the empirical EOSs for LJ monomer (EOS of Johnson et al.) and LJ chain (soft-SAFT) fluids. A key feature of our reformulated SAFT-VR approach is the greatly enhanced accuracy in the near-critical region for chain molecules. This attribute, combined with the accurate modeling of second
Fluids density functional theory studies of supramolecular polymers at a hard surface
NASA Astrophysics Data System (ADS)
McGarrity, E. S.; Thijssen, J. M.; Besseling, N. A. M.
2010-08-01
We have applied a fluids density functional theory based on that of Yu and Wu [J. Chem. Phys. 116, 7094 (2002)] to treat reversible supramolecular polymers near a hard surface. This approach combines a hard-sphere fluids density functional theory with the first-order thermodynamic perturbation theory of Wertheim. The supramolecular polymers are represented in the theory by hard-spheres with two associating sites. We explore the effects of the bonding scheme, monomer concentration, and association energy upon the equilibrium chain sizes and the depletion lengths. This study is performed on simple systems containing two-site monomers and binary mixtures of two-site monomers combined with end stopper monomers which have only a single association site. Our model has correct behavior in the dilute and overlap regimes and the bulk results can be easily connected to simpler random-flight models. We find that there is a nonmonotonic behavior of the depletion length of the polymers as a function of concentration and that this depletion length can be controlled through the concentration of end stoppers. These results are applicable to the study of colloidal dispersions in supramolecular polymer solutions.
Ghobadi, Ahmadreza F.; Elliott, J. Richard
2013-12-21
In this work, we aim to develop a version of the Statistical Associating Fluid Theory (SAFT)-γ equation of state (EOS) that is compatible with united-atom force fields, rather than experimental data. We rely on the accuracy of the force fields to provide the relation to experimental data. Although, our objective is a transferable theory of interfacial properties for soft and fused heteronuclear chains, we first clarify the details of the SAFT-γ approach in terms of site-based simulations for homogeneous fluids. We show that a direct comparison of Helmholtz free energy to molecular simulation, in the framework of a third order Weeks-Chandler-Andersen perturbation theory, leads to an EOS that takes force field parameters as input and reproduces simulation results for Vapor-Liquid Equilibria (VLE) calculations. For example, saturated liquid density and vapor pressure of n-alkanes ranging from methane to dodecane deviate from those of the Transferable Potential for Phase Equilibria (TraPPE) force field by about 0.8% and 4%, respectively. Similar agreement between simulation and theory is obtained for critical properties and second virial coefficient. The EOS also reproduces simulation data of mixtures with about 5% deviation in bubble point pressure. Extension to inhomogeneous systems and united-atom site types beyond those used in description of n-alkanes will be addressed in succeeding papers.
Beyond Poisson–Boltzmann: fluctuations and fluid structure in a self-consistent theory
NASA Astrophysics Data System (ADS)
Buyukdagli, S.; Blossey, R.
2016-09-01
Poisson–Boltzmann (PB) theory is the classic approach to soft matter electrostatics and has been applied to numerous physical chemistry and biophysics problems. Its essential limitations are in its neglect of correlation effects and fluid structure. Recently, several theoretical insights have allowed the formulation of approaches that go beyond PB theory in a systematic way. In this topical review, we provide an update on the developments achieved in the self-consistent formulations of correlation-corrected Poisson–Boltzmann theory. We introduce a corresponding system of coupled non-linear equations for both continuum electrostatics with a uniform dielectric constant, and a structured solvent—a dipolar Coulomb fluid—including non-local effects. While the approach is only approximate and also limited to corrections in the so-called weak fluctuation regime, it allows us to include physically relevant effects, as we show for a range of applications of these equations.
NASA Astrophysics Data System (ADS)
Lu, Jianbo; Xu, Lixin; Tan, Hongyan; Gao, Shanshan
2014-03-01
Varying gravitational constant G(t) (VG) cosmology is studied in this paper, where the modified Friedmann equation and the modified energy conservation equation are given with respect to the constant-G theory. Considering the extended Chaplygin gas (ECG) as background fluid (or thinking that ECG fluid is induced by the variation of G), the unified model of dark matter and dark energy is obtained in VG theory. The parameter spaces are investigated in the VG-ECG model by using the recent cosmic data. Constraint results show β =-G/.HG =-0.003-0.020-0.055+0.021+0.034 for the VG-GCG unified model and β=-0.027-0.032-0.066+0.032+0.059 for the VG-MCG unified model. Equivalently, they correspond to the limits on the current variation of Newton's gravitational constant at 95.4% confidence level |G/.G|today≲4.1×10-12 yr-1 and |G/.G|today≲6.6×10-12 yr-1. And for z ≤3.5, bounds on the variation of G/.G in the VG-ECG unified model are in accordance with the experiment explorations of varying G. In addition, in VG theory the used observational data point still cannot distinguish the VG-GCG and VG-MCG unified model from the most popular ΛCDM cosmology. Furthermore, to see the effects of varying G and physical properties for VG-ECG fluid, we discuss the evolutionary behaviors of cosmological quantities in VG theory, such as G/.G, G./.G and equation of state w, etc. For β <0 a quintom scenario crossing over w=-1 can be realized in the VG-GCG model.
Towards a theory for vortex filaments in stratified-rotating fluids
NASA Astrophysics Data System (ADS)
Billant, Paul; Deloncle, Axel; Chomaz, Jean-Marc; Otheguy, Pantxika
2014-12-01
In inviscid fluids with uniform density, it is common to idealize three-dimensional vortex tubes by filaments (i.e., single lines of an infinitesimal cross section). Thanks to the Kelvin and Helmholtz theorems, it is known that these vortex filaments are transported with the fluid and their circulation is conserved. The induced motions can be computed by the Biot-Savart law, with an appropriate cut off in the integral to avoid singularity. Hence, this approach allows one to model the linear or nonlinear dynamics of vortex flows. A priori, vortex filaments cannot be used in density-stratified and rotating fluids since the circulation is not conserved and the vortex lines are not material lines. However, in this paper we review a theory that is equivalent to vortex filaments. It is based on matched asymptotic expansions for small vortex-core size, weak curvature, and small vortex displacements. The resulting stability equations are formally identical to those of vortex filaments in homogeneous fluids. However, striking differences between homogeneous and stratified-rotating fluids exist, such as the reversal of the self-induced motion for strong stratification or complex self-induction for moderate stratification due to the presence of critical points. The three-dimensional linear stability of vertical vortex pairs and vortex arrays (Karman street, double symmetric row) in stratified and rotating fluids has been investigated using this analytical approach. The results are in very good agreement with the results of direct numerical stability analyses of smooth vortex configurations. Possible extensions to include nonlinear and baroclinic effects are briefly discussed.
Site-renormalised molecular fluid theory: on the utility of a two-site model of water
Dyer, Kippi M.; Perkyns, John S.; Stell, George; Pettitt, B. Montgomery
2009-01-01
We propose a simple, two-site model of water, using the familiar three-site Simple Point Charge (SPC) model as a guide. We briefly examine the resulting dielectric and solvation properties of the bulk fluid, both pure and in a three component mixture of apolar or ionic simple fluid solutes, using integral equation methods. The results confirm a practical utility of this simplified model, and the essential predictive properties of the site-renormalised molecular fluid theory. PMID:19920881
NASA Astrophysics Data System (ADS)
Wang, Chunbai; Mitra, Ambar K.
2016-01-01
Any boundary surface evolving in viscous fluid is driven with surface capillary currents. By step function defined for the fluid-structure interface, surface currents are found near a flat wall in a logarithmic form. The general flat-plate boundary layer is demonstrated through the interface kinematics. The dynamics analysis elucidates the relationship of the surface currents with the adhering region as well as the no-slip boundary condition. The wall skin friction coefficient, displacement thickness, and the logarithmic velocity-defect law of the smooth flat-plate boundary-layer flow are derived with the advent of the forced evolving boundary method. This fundamental theory has wide applications in applied science and engineering.
Anisotropic models with two fluids in linear and quadratic forms of f( T) gravitational theories
NASA Astrophysics Data System (ADS)
Nashed, Gamal G. L.
2015-06-01
Recent astronomical observations show that the universe may be anisotropic on large scales. The Union2 SnIa data hint that the universe has a preferred direction. If such a cosmological privileged axis indeed exists, one has to consider an anisotropic expanding universe, instead of the isotropic cosmological model. In this study, we apply the field equations of quadratic form of the modified teleparallel gravitational theories, f( T)= T+ ɛT 2, to anisotropic model. We assume two fluid components, the matter components have two equation of states (EoS). We study different equation of states for the linear case and show that there is no recombination era between the two fluids. For the quadratic one, we assume two equations of state corresponding to dark matter. In this model we obtain an inflation model and show that the values of the parameter, in the early universe, ɛ are depend on the sign of the cosmological constant.
Euler's friction of fluids theory and the estimation of fountain jet heights
NASA Astrophysics Data System (ADS)
Bistafa, Sylvio R.
2015-09-01
In 1761, Leonhard Euler (1707-1783) published a treatise with the title "Attempt at a Theory of the Friction of Fluids", in which he assumed that, as is the case for solid friction, fluid friction is proportional to pressure. Several experiments were proposed by Euler to derive a friction factor, which were intended to experimentally confirm his equations. Detailed developments of five different problems of discharge were presented in his treatise, taking into account the loss of head in the conduits. In the Appendix, an example is given of the calculation of the jet heights of a particular fountain, fed with conduits of different cross-sectional areas. Application of the current method for the calculation of head losses in pipes reveals that Euler grossly overestimated the fountain jet heights.
Homogenization theory for periodic distributions of elastic cylinders embedded in a viscous fluid.
Reyes-Ayona, Edgar; Torrent, Daniel; Sánchez-Dehesa, José
2012-10-01
A multiple-scattering theory is applied to study the homogenization of clusters of elastic cylinders distributed in a isotropic lattice and embedded in a viscous fluid. Asymptotic relations are derived and employed to obtain analytical formulas for the effective parameters of homogenized clusters in which the underlying lattice has a low filling fraction. It is concluded that such clusters behave, in the low frequency limit, as an effective elastic medium. Particularly, it is found that the effective dynamical mass density follows the static estimate; i.e., the homogenization procedure does not recover the non-linear behavior obtained for the inviscid case. Moreover, the longitudinal and transversal sound speeds do not show any dependence on fluid viscosity. Numerical simulations performed for clusters made of brass cylinders embedded in glycerin support the reliability of the effective parameters resulting from the homogenization procedure reported here. PMID:23039556
Binary Mixture of Perfect Fluid and Dark Energy in Modified Theory of Gravity
NASA Astrophysics Data System (ADS)
Shaikh, A. Y.
2016-07-01
A self consistent system of Plane Symmetric gravitational field and a binary mixture of perfect fluid and dark energy in a modified theory of gravity are considered. The gravitational field plays crucial role in the formation of soliton-like solutions, i.e., solutions with limited total energy, spin, and charge. The perfect fluid is taken to be the one obeying the usual equation of state, i.e., p = γρ with γ∈ [0, 1] whereas, the dark energy is considered to be either the quintessence like equation of state or Chaplygin gas. The exact solutions to the corresponding field equations are obtained for power-law and exponential volumetric expansion. The geometrical and physical parameters for both the models are studied.
Equations of state of freely jointed hard-sphere chain fluids: Theory
Stell, G.; Lin, C.; Kalyuzhnyi, Y.V.
1999-03-01
Using the analytical solution of a multidensity integral equation solved in our previous papers [J. Chem. Phys. {bold 108}, 6513, 6525 (1998)], we derive two compressibility and two virial equations of state (EOS) for freely jointed hard-sphere chain fluids on the basis of the approximations defined by the polymer Percus{endash}Yevick (PPY) closure and of the PPY ideal-chain closure for the integral equations. We also extend a version of first-order thermodynamic perturbation theory to polymers, using a dimer fluid as the reference system, to treat mixtures of heteronuclear chain fluids and polymer solutions; the structural information of the dimer fluid is obtained from the PPY ideal-chain approximation in the complete-association limit. The attractive forces between monomers of chain molecules are treated using simple perturbation theory. We find that the compressibility EOS derived on the basis of the PPY approximation subject to the chain-connectivity condition reduces to the compressibility EOS based upon the PPY ideal-chain approximation in the complete-association limit, which is also equivalent to the EOS derived by Chiew [Mol. Phys. {bold 70}, 129 (1990)] and to the EOS derived by Kalyuzhnyi and Cummings [J. Chem. Phys. {bold 105}, 2011 (1996)]. On the other hand, the virial EOS derived on the basis of the PPY ideal-chain approximation coincides with Attard{close_quote}s virial EOS [J. Chem. Phys. {bold 102}, 5411 (1995)] only in the zero-density limit. The advantages in numerical implementation of the EOS presented in this work are also discussed, but a full quantitative assessment of our results and a detailed numerical comparison among them are made in a companion paper, as is comparison with available simulation results. {copyright} {ital 1999 American Institute of Physics.}
Profile of a low-Mach-number shock in two-fluid plasma theory
NASA Astrophysics Data System (ADS)
Gedalin, M.; Kushinsky, Y.; Balikhin, M.
2015-08-01
Magnetic profiles of low-Mach-number collisionless shocks in space plasmas are studied within the two-fluid plasma theory. Particular attention is given to the upstream magnetic oscillations generated at the ramp. By including weak resistive dissipation in the equations of motion for electrons and protons, the dependence of the upstream wave train features on the ratio of the dispersion length to the dissipative length is established quantitatively. The dependence of the oscillation amplitude and spatial damping scale on the shock normal angle θ is found.
The Complete Friedman Cosmology with Barotropic Fluids for the Brans-Dicke Theory
NASA Astrophysics Data System (ADS)
Chauvet-Alducin, P.
2002-12-01
The different ways in which an homogeneous and isotropic Universe in the form of a barotropic fluid expands in the cosmological theory of Brans-Dicke [1] can be completly rendered, even if the space is not flat, almost only for the special stress-energy tensor that represents incoherent radiation or ultrarelativistic matter because the original, and well known, nonlinear field equations comprise two unknowns which makes their integration difficult, and more so when the space is non-flat, in contrast with the General Relativity case which only has a single unknown function to determine -the scale factor-. Therefore, a fruitful avenue that can be used to obtain cosmological solutions for this, and other scalar-tensor theories, originally developed in Chauvet [2], and extended elsewhere [3] has been to procure equations for a single variable by combining the two aforementioned functions into a single one. So far this, and other methods to obtain perfect fluid, analytic solutions for a non-flat space, have given the sought after, and complete results, mostly for the vacuum, incoherent radiation, and stiff "matter" cases in this, and in similar but more general scalar-tensor theories [4]. A salient fact for a non-flat space is that radiation, and the remaining fluids as well, can expand linearly in time which is the limit for accelerating universes that, nowadays, turn out to be significant [5]. This expansion comes about as the end product of the special form that the composite function assumes: a second degree polynomial whose discriminant is equal to zero, which then permits a time inversion onto "cosmic time" which translates into a common behavior for the non-flat FRW models, and is moreover the general cosmic solution to the flat space [6]. For the polynomial function different fluids, and different spaces as well, are distinguished essentially by the three constant factors some of which depend on the equation of state through n, and the coupling parameter
Sai Venkata Ramana, A.
2014-04-21
The coupling parameter series expansion and the high temperature series expansion in the thermodynamic perturbation theory of fluids are shown to be equivalent if the interaction potential is pairwise additive. As a consequence, for the class of fluids with the potential having a hardcore repulsion, if the hard-sphere fluid is chosen as reference system, the terms of coupling parameter series expansion for radial distribution function, direct correlation function, and Helmholtz free energy follow a scaling law with temperature. The scaling law is confirmed by application to square-well fluids.
NASA Astrophysics Data System (ADS)
Zimmermann, Urs; Smallenburg, Frank; Löwen, Hartmut
2016-06-01
Using both dynamical density functional theory and particle-resolved Brownian dynamics simulations, we explore the flow of two-dimensional colloidal solids and fluids driven through a linear channel with a constriction. The flow is generated by a constant external force acting on all colloids. The initial configuration is equilibrated in the absence of flow and then the external force is switched on instantaneously. Upon starting the flow, we observe four different scenarios: a complete blockade, a monotonic decay to a constant particle flux (typical for a fluid), a damped oscillatory behaviour in the particle flux, and a long-lived stop-and-go behaviour in the flow (typical for a solid). The dynamical density functional theory describes all four situations but predicts infinitely long undamped oscillations in the flow which are always damped in the simulations. We attribute the mechanisms of the underlying stop-and-go flow to symmetry conditions on the flowing solid. Our predictions are verifiable in real-space experiments on magnetic colloidal monolayers which are driven through structured microchannels and can be exploited to steer the flow throughput in microfluidics.
Zimmermann, Urs; Smallenburg, Frank; Löwen, Hartmut
2016-06-22
Using both dynamical density functional theory and particle-resolved Brownian dynamics simulations, we explore the flow of two-dimensional colloidal solids and fluids driven through a linear channel with a constriction. The flow is generated by a constant external force acting on all colloids. The initial configuration is equilibrated in the absence of flow and then the external force is switched on instantaneously. Upon starting the flow, we observe four different scenarios: a complete blockade, a monotonic decay to a constant particle flux (typical for a fluid), a damped oscillatory behaviour in the particle flux, and a long-lived stop-and-go behaviour in the flow (typical for a solid). The dynamical density functional theory describes all four situations but predicts infinitely long undamped oscillations in the flow which are always damped in the simulations. We attribute the mechanisms of the underlying stop-and-go flow to symmetry conditions on the flowing solid. Our predictions are verifiable in real-space experiments on magnetic colloidal monolayers which are driven through structured microchannels and can be exploited to steer the flow throughput in microfluidics. PMID:27116706
Mirigian, Stephen; Schweizer, Kenneth S
2014-05-21
Building on the elastically collective nonlinear Langevin equation theory developed for hard spheres in Paper I, we propose and implement a quasi-universal theory for the alpha relaxation of thermal liquids based on mapping them to an effective hard sphere fluid via the dimensionless compressibility. The result is a zero adjustable parameter theory that can quantitatively address in a unified manner the alpha relaxation time over 14 or more decades. The theory has no singularities above zero Kelvin, and relaxation in the equilibrium low temperature limit is predicted to be of a roughly Arrhenius form. The two-barrier (local cage and long range collective elastic) description results in a rich dynamic behavior including apparent Arrhenius, narrow crossover, and deeply supercooled regimes, and multiple characteristic or crossover times and temperatures of clear physical meaning. Application of the theory to nonpolar molecules, alcohols, rare gases, and liquids metals is carried out. Overall, the agreement with experiment is quite good for the temperature dependence of the alpha time, plateau shear modulus, and Boson-like peak frequency for van der Waals liquids, though less so for hydrogen-bonding molecules. The theory predicts multiple growing length scales upon cooling, which reflect distinct aspects of the coupled local hopping and cooperative elastic physics. Calculations of the growth with cooling of an activation volume, which is strongly correlated with a measure of dynamic cooperativity, agree quantitatively with experiment. Comparisons with elastic, entropy crisis, dynamic facilitation, and other approaches are performed, and a fundamental basis for empirically extracted crossover temperatures is established. The present work sets the stage for addressing distinctive glassy phenomena in polymer melts, and diverse liquids under strong confinement. PMID:24852550
NASA Astrophysics Data System (ADS)
Singh, Ram Chandra; Ram, Jokhan
2006-09-01
A closure for the pair-correlation functions of molecular fluids is described in which the hypernetted-chain and the Percus-Yevick approximations are “mixed” as a function of interparticle separation. An adjustable parameter α in the mixing function is used to enforce thermodynamic consistency, by which it is meant that identical results are obtained when the equations of state are calculated via the virial and compressibility routes, respectively. The mixed integral equation for the pair-correlation functions has been solved for two model fluids: (i) a fluid of the hard Gaussian overlap model, and (ii) a fluid the molecules of which interact via a modified Gay-Berne model potential. For the modified Gay-Berne fluid we have slightly modified the original Gay-Berne potential to study the effect of attraction on hard core systems. The pair-correlation functions of the isotropic phase which enter in the density-functional theory as input informations have been calculated from the integral equation theories for these model fluids. We have used two different versions of the density-functional theory known as the second order and modified weighted-density-functional theory to locate the isotropic-nematic (I-N) transitions and calculate the values of transition parameters for the hard Gaussian overlap and modified Gay-Berne model fluids. We have compared our results with those of computer simulations wherever they are available. We find that the density-functional theory is good to study the I-N transition in molecular fluids if the values of the pair-correlation functions in the isotropic phase are accurately known.
NASA Astrophysics Data System (ADS)
Blas, Felipe J.; Sanz, Eduardo; Vega, Carlos; Galindo, Amparo
2003-11-01
An extension of Wertheim's first-order thermodynamic perturbation theory is proposed to describe the global phase behavior of linear rigid tangent hard sphere chains. The extension is based on a scaling proposed recently by Vega and McBride [Phys. Rev. E 65, 052501 (2002)] for the equation of state of linear chains in the solid phase. We have used the Einstein-crystal methodology, the Rahman-Parrinello technique, and the thermodynamic integration method for calculating the free energy and equation of state of linear rigid hard sphere chains with different chain lengths, including the solid-fluid phase equilibria. Agreement between the simulation data and theoretical predictions is excellent in all cases. Once it is confirmed that the proposed theory can be used to describe correctly the equation of state, free energy, and solid-fluid phase transitions of linear rigid molecules, a simple mean-field approximation at the level of van der Waals is included to account for segment-segment attractive interactions. The approach is used to determine the global phase behavior of fully flexible and linear rigid chains of varying chain lengths. The main effect of increasing the chain length in the case of linear rigid chains is to decrease the fluid densities at freezing, so that the triple-point temperatures increase. As a consequence, the range of temperatures where vapor-liquid equilibria exist decreases considerably with chain length. This behavior is a direct result of the stabilization of the solid phase with respect to the liquid phase as the chain length is increased. The vapor-liquid equilibria are seen to disappear for linear rigid chains formed by more than 11 hard sphere segments that interact through an attractive van der Waals mean-field contribution; in other words, long linear rigid chains exhibit solid-vapor phase behavior only. In the case of flexible chains, the fluid-solid equilibrium is hardly affected by the chain length, so that the triple
NASA Astrophysics Data System (ADS)
Chester, Shawn A.; Anand, Lallit
2011-10-01
An elastomeric gel is a cross-linked polymer network swollen with a solvent, and certain gels can undergo large reversible volume changes as they are cycled about a critical temperature. We have developed a continuum-level theory to describe the coupled mechanical deformation, fluid permeation, and heat transfer of such thermally responsive gels. In discussing special constitutive equations we limit our attention to isotropic materials, and consider a model based on a Flory-Huggins model for the free energy change due to mixing of the fluid with the polymer network, coupled with a non-Gaussian statistical-mechanical model for the change in configurational entropy—a model which accounts for the limited extensibility of polymer chains. We have numerically implemented our theory in a finite element program. We show that our theory is capable of simulating swelling, squeezing of fluid by applied mechanical forces, and thermally responsive swelling/de-swelling of such materials.
NASA Astrophysics Data System (ADS)
Almasi, Mohammad
2014-11-01
Densities and viscosities for binary mixtures of Diethanolamine (DEA) + 2 alkanol (2 propanol up to 2 pentanol) were measured over the entire composition range and temperature interval of 293.15-323.15 K. From the density and viscosity data, values of various properties such as isobaric thermal expansibility, excess isobaric thermal expansibility, partial molar volumes, excess molar volumes and viscosity deviations were calculated. The observed variations of these parameters, with alkanols chain length and temperature, are discussed in terms of the intermolecular interactions between the unlike molecules of the binary mixtures. The ability of the perturbed chain statistical associating fluid theory (PC-SAFT) to correlate accurately the volumetric behavior of the binary mixtures is demonstrated.
On the use of residue theory for treating the subsonic flow of a compressible fluid
NASA Technical Reports Server (NTRS)
Kaplan, Carl
1942-01-01
A new mathematical technique, due to Milne-Thomson, is used to obtain an improved form of the method of Poggi for calculating the effect of compressibility on the subsonic flow past an obstacle. By means of this new method, the difficult surface integrals of the original Poggi method can be replaced by line integrals. These line integrals are then solved by the use of residue theory. In this way an equation is obtained giving the second-order effect of compressibility on the velocity of the fluid. The method is practicable for obtaining the higher-order effects of compressibility on the velocity field. As an illustration of the general result, the flow past an elliptic cylinder is discussed.
Computational fluid dynamics simulations of oscillating wings and comparison to lifting-line theory
NASA Astrophysics Data System (ADS)
Keddington, Megan
Computational fluid dynamics (CFD) analysis was performed in order to compare the solutions of oscillating wings with Prandtl's lifting-line theory. Quasi-steady and steady-periodic simulations were completed using the CFD software Star-CCM+. The simulations were performed for a number of frequencies in a pure plunging setup. Additional simulations were then completed using a setup of combined pitching and plunging at multiple frequencies. Results from the CFD simulations were compared to the quasi-steady lifting-line solution in the form of the axial-force, normal-force, power, and thrust coefficients, as well as the efficiency obtained for each simulation. The mean values were evaluated for each simulation and compared to the quasi-steady lifting-line solution. It was found that as the frequency of oscillation increased, the quasi-steady lifting-line solution was decreasingly accurate in predicting solutions.
Radial oscillation of a gas bubble in a fluid as a problem in canonical perturbation theory
NASA Astrophysics Data System (ADS)
Stephens, James
2005-11-01
The oscillation of a gas bubble is in a fluid is of interest in many areas of physics and technology. Lord Rayleigh treated the pressure developed in the collapse of cavitation bubbles and developed an expression for the collapse period. Minnaert developed a harmonic oscillator approximation to bubble oscillation in his study of the sound produced by running water. Oscillating bubbles are important to oceanographers studying the sound spectrum produced by water waves, geophysicists employing air guns as acoustic probes, mechanical engineers concerned with erosion of turbine blades, and military engineers concerned with the acoustic signatures developed by the propeller screws of ships and submarines. For the oceanographer, Minnaert's approximation is useful, for the latter two examples, Lord Rayleigh's analysis is appropriate. On the one hand, a bubble can be treated as a harmonic oscillator in the small amplitude regime, whereas even in the relatively moderate pressure regime characteristic of air guns the oscillation is strongly nonlinear and amplitude dependent. Is it possible to develop an analytic approximation that affords insight into the behavior of a bubble beyond the harmonic approximation of Minnaert? In this spirit, the free radial oscillation of a gas bubble in a fluid is treated as a problem in canonical perturbation theory. Several orders of the expansion are determined in order to explore the dependence of the oscillation frequency with bubble amplitude. The expansion to second order is inverted to express the time dependence of the oscillation.
Generalized extended Navier-Stokes theory: multiscale spin relaxation in molecular fluids.
Hansen, J S
2013-09-01
This paper studies the relaxation of the molecular spin angular velocity in the framework of generalized extended Navier-Stokes theory. Using molecular dynamics simulations, it is shown that for uncharged diatomic molecules the relaxation time decreases with increasing molecular moment of inertia per unit mass. In the regime of large moment of inertia the fast relaxation is wave-vector independent and dominated by the coupling between spin and the fluid streaming velocity, whereas for small inertia the relaxation is slow and spin diffusion plays a significant role. The fast wave-vector-independent relaxation is also observed for highly packed systems. The transverse and longitudinal spin modes have, to a good approximation, identical relaxation, indicating that the longitudinal and transverse spin viscosities have same value. The relaxation is also shown to be isomorphic invariant. Finally, the effect of the coupling in the zero frequency and wave-vector limit is quantified by a characteristic length scale; if the system dimension is comparable to this length the coupling must be included into the fluid dynamical description. It is found that the length scale is independent of moment of inertia but dependent on the state point. PMID:24125208
Unification of Plasma Fluid and Kinetic Theory via Gaussian Radial Basis Functions
NASA Astrophysics Data System (ADS)
Candy, J. M.
2015-11-01
A fundamental macroscopic description of a magnetized plasma is the Vlasov equation supplemented by the nonlinear inverse-square force Fokker-Planck collision operator [Rosenbluth et al., Phys. Rev. 107, 1957]. The Vlasov part describes advection in a six-dimensional phase space whereas the collision operator contains friction and diffusion coefficients that are weighted velocity-space integrals of the particle distribution function. The Fokker-Planck collision operator is an integro-differential, nonlinear (bilinear) operator. Numerical discretization of the operator, in particular for collisions of unlike species, is extremely challenging. In this work, we describe a new approach to discretize the entire kinetic system based on an expansion in Gaussian Radial Basis functions (RBFs). This approach is particularly well-suited to treat the collision operator because the friction and diffusion coefficients can be analytically calculated. Although the RBF method is known to be a powerful scheme for the interpolation of scattered multidimensional data, Gaussian RBFs also have a deep physical interpretation in statistical mechanics and plasma physics as local thermodynamic equilibria. We outline the general theory, highlight the connection to plasma fluid theories, and also give 2D and 3D numerical solutions of the nonlinear Fokker-Planck equation. A broad spectrum of applications for the new method is anticipated in both astrophysical and laboratory plasmas. In particular, we believe that the RBF method may provide a new bridge between fluid and kinetic descriptions of magnetized plasma. Work supported in part by US DOE under DE-FG02-08ER54963.
Rastgoo, Abbas; Ahmadian, Mohammad Taghi
2013-01-01
Summary The paper presents the effects of fluid flow on the static and dynamic properties of carbon nanotubes that convey a viscous fluid. The mathematical model is based on the modified couple stress theory. The effects of various fluid parameters and boundary conditions on the pull-in voltages are investigated in detail. The applicability of the proposed system as nanovalves or nanosensors in nanoscale fluidic systems is elaborated. The results confirm that the nanoscale system studied in this paper can be properly applied for these purposes. PMID:24367746
Ree, F.H.
1990-05-01
A statistical mechanical theory that can describe both solids and fluids in a self-consistent way is described. This theory utilizes a optimized reference potential whose repulsive range shrinks with density. A unique feature of the new theory is that solid- and fluid-phase thermodynamic properties are both computed within a single theoretical framework. Hence, it allows us to study melting phenomena in a self-consistent manner. For solids, the new theory treats both harmonic and anharmonic effects in thermodynamic properties on equal footing. Applications to several model and rare gas systems show that the new theory can accurately predict fluid, solid, and fluid-solid transition properties. Effective pair potentials inferred from the analysis of krypton and xenon isotherms contain short- and long-range modifications to the Aziz-Slaman pair potential. The long-range correction is repulsive and originates from the Axilrod-Teller three-body force, while the short-range correction probably originates from many-body forces. Using the computed melting curves of krypton and neon, we discuss the range of validity of the corresponding states principle for rare gas systems. 68 refs., 8 figs., 6 tabs.
NASA Astrophysics Data System (ADS)
Duran-Olivencia, Miguel A.; Goddard, Ben; Kalliadasis, Serafim
2015-11-01
Over the last few decades the classical density-functional theory (DFT) and its dynamic extensions (DDFTs) have become a remarkably powerful tool in the study of colloidal fluids. Recently there has been extensive research to generalise all previous DDFTs finally yielding a general DDFT equation (for spherical particles) which takes into account both inertia and hydrodynamic interactions (HI) which strongly influence non-equilibrium properties. The present work will be devoted to a further generalisation of such a framework to systems of anisotropic particles. To this end, the kinetic equation for the Brownian particle distribution function is derived starting from the Liouville equation and making use of Zwanzig's projection-operator techniques. By averaging over all but one particle, a DDFT equation is finally obtained with some similarities to that for spherical colloids. However, there is now an inevitable translational-rotational coupling which affects the diffusivity of asymmetric particles. Lastly, in the overdamped (high friction) limit the theory is notably simplified leading to a DDFT equation which agrees with previous derivations. We acknowledge financial support from European Research Council via Advanced Grant No. 247031.
NASA Astrophysics Data System (ADS)
Singh, Ram Chandra
2007-09-01
We have used the density-functional theory to study the effect of varying temperature on the isotropic-nematic transition of a fluid of molecules interacting via the Gay-Berne intermolecular potential. The nematic phase is found to be stable with respect to isotropic phase in the temperature range 0.80<=T*<=1.25. Pair correlation functions needed as input information in density-functional theory is calculated using the Percus-Yevick integral equation theory. We find that the density-functional theory is good for studying the isotropic-nematic transition in molecular fluids if the values of the pair-correlation functions in the isotropic phase are known accurately. We have also compared our results with computer simulation results wherever they are available.
Higher-order weakly nonlinear theory for internal waves in three-layer fluid
NASA Astrophysics Data System (ADS)
Kurkina, O. E.; Kurkin, A. A.; Rouvinskaya, E. A.
2012-04-01
Three-layer stratifications are proved to be a proper approximation of sea water density profile in some basins in the World Ocean with specific hydrological conditions. Some shallow basins such as the Baltic Sea and some river estuaries have more or less continuous three-layer vertical structure caused by the interplay of fresh water discharge to the surface and salt water intrusion in the bottom layers. In order to describe the basic features of the internal wave field in such environments it is necessary to introduce a three-layer model. Such models are considerably more complex than the most popular two-layer systems; however, they represent new dynamical effects and allow for much more analytical progress in their studies compared to the fully stratified situation. In the present study two modes of long internal gravity waves in a three-layer fluid are investigated in the framework of higher-order nonlinear evolutionary equations derived with the use of asymptotic procedure from the governing Euler equations for inviscid incompressible layered medium with "rigid lid" and horizontal impermeable bottom. The equations are written upto the fifth order of the perturbation theory for both interfaces for the waves of both modes: first (fast mode) and second (slow mode, so-called double-humped or varicose). For each equation the coefficients of nonlinearity, dispersion and nonlinear dispersion are expressed explicitly in terms of parameters of this fluid configuration. The behavior and signs of the coefficients are analyzed. The necessary order of the equations is discussed and determined for each case. A few nonlinear asymptotic transformations are proposed to reduce higher-order equations to simpler lower-order or well-known integrable equations (Korteweg - de Vries, Gardner equations). Special attention is paid to the situations when the nonlinear terms of lower orders of perturbation theory can vanish. For such situations particular rescaling is performed in order
Radial oscillation of a gas bubble in a fluid as a problem in canonical perturbation theory
NASA Astrophysics Data System (ADS)
Stephens, James
2006-11-01
The oscillation of a gas bubble is in a fluid is of interest in many areas of physics and technology. Lord Rayleigh treated the pressure developed in the collapse of cavitation bubbles and developed an expression for the collapse period. Minnaert developed a harmonic oscillator approximation to bubble oscillation in his study of the sound produced by running water. Besides recent interest in bubble oscillation in connection to sonoluminescence, an understanding of oscillating bubbles is of important to oceanographers studying the sound spectrum produced by water waves, geophysicists employing air guns as acoustic probes, mechanical engineers concerned with erosion of turbine blades, and military engineers concerned with the acoustic signatures developed by the propeller screws of ships and submarines. For the oceanographer, Minnaert's approximation is useful, for the latter two examples, Lord Rayleigh's analysis is appropriate. For the case of the airgun, a period of twice Rayleigh's period for the ``total collapse'' of the cavitation bubble is often cited as a good approximation for the period of an air bubble ejected from an air gun port, typically at ˜2000 psi), however for the geophysical example, numerical integration is employed from the outset to determine the dynamics of the bubble and the emitted acoustic energy. On the one hand, a bubble can be treated as a harmonic oscillator in the small amplitude regime, whereas even in the relatively moderate pressure regime characteristic of air guns the oscillation is strongly nonlinear and amplitude dependent. Is it possible to develop an analytic approximation that affords insight into the behavior of a bubble beyond the harmonic approximation of Minnaert? In this spirit, the free radial oscillation of a gas bubble in a fluid is treated as a problem in canonical perturbation theory. Several orders of the expansion are determined in order to explore the dependence of the oscillation frequency with bubble amplitude
Two fluid model using kinetic theory for modeling of one-step hydrogen production gasifier
Yu, L.; Lu, J.; Zhang, X.P.; Zhang, S.J.; Wang, X.L.
2008-11-15
A Two Fluid Model (TFM) using kinetic theory of granular flow has been developed to describe an innovative process of hydrogen production in a single step. An extended Multi-species of Solid Phase (MSP) method is proposed to simulate the gas-solid heterogeneous reactions in an entrained flow gasifier, as opposed to Single-species of Solid Phase (SSP) in previous studies. The intrinsic equations of methane steam reforming and water-gas shift reactions are used for a good understanding of the reaction mechanism for high concentration of hydrogen production under higher pressure. On the basis of the results of computing, the main feature of core-annular reaction zone is predicted in the fully developed flow region. And the similar flame-like structure for velocity and temperature is observed to emerge from the feed injection zone at the bottom of gasifier. The model well illustrates the effects of CaO on enhancing the concentration of hydrogen and sequestering CO{sub 2} in the process of coal gasification. The advantages of pressure gasification are also shown that coal conversion increases with increasing pressure while H{sub 2}S concentration and tar content decreases. Moreover, there is a steep increase in H{sub 2}S and tar species initiated from the entrance of gasifier and then a decrease at the next section. The model shows good agreement with the measurements of flow field and gas products concentration in laboratory-scale plants.
Fluids density functional theory and initializing molecular dynamics simulations of block copolymers
NASA Astrophysics Data System (ADS)
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.
Selection principles and pattern formation in fluid mechanics and nonlinear shell theory
NASA Technical Reports Server (NTRS)
Sather, Duane P.
1987-01-01
Research accomplishments are summarized and publications generated under the contract are listed. The general purpose of the research was to investigate various symmetry breaking problems in fluid mechanics by the use of structure parameters and selection principles. Although all of the nonlinear problems studied involved systems of partial differential equations, many of these problems led to the study of a single nonlinear operator equation of the form F(w, lambda, gamma) = 0, (w is an element of H), (lambda is an element of R1), (gamma is an element of R1). Instead of varying only the load parameter lambda, as is often done in the study of such equations, one of the main ideas used was to vary the structure parameter gamma in such a way that stable solutions were obtained. In this way one determines detailed stability results by making use of the structure of the model equations and the known physical parameters of the problem. The approach was carried out successfully for Benard-type convection problems, Taylor-like problems for short cylinders, rotating Couette-Poiseuille channel flows, and plane Couette flows. The main focus of the research was on wave theory of vortex breakdown in a tube. A number of preliminary results for inviscid axisymmetric flows were obtained.
NASA Astrophysics Data System (ADS)
Jiang, Hao; Panagiotopoulos, Athanassios Z.; Economou, Ioannis G.
2016-03-01
Statistical associating fluid theory (SAFT) is used to model CO2 solubilities in single and mixed electrolyte solutions. The proposed SAFT model implements an improved mean spherical approximation in the primitive model to represent the electrostatic interactions between ions, using a parameter K to correct the excess energies ("KMSA" for short). With the KMSA formalism, the proposed model is able to describe accurately mean ionic activity coefficients and liquid densities of electrolyte solutions including Na+, K+, Ca2+, Mg2+, Cl-, Br- and SO42- from 298.15 K to 473.15 K using mostly temperature independent parameters, with sole exception being the volume of anions. CO2 is modeled as a non-associating molecule, and temperature-dependent CO2-H2O and CO2-ion cross interactions are used to obtain CO2 solubilities in H2O and in single ion electrolyte solutions. Without any additional fitting parameters, CO2 solubilities in mixed electrolyte solutions and synthetic brines are predicted, in good agreement with experimental measurements.
Perturbation theory for non-spherical fluids based on discretization of the interactions
NASA Astrophysics Data System (ADS)
Gámez, Francisco; Benavides, Ana Laura
2013-03-01
An extension of the discrete perturbation theory [A. L. Benavides and A. Gil-Villegas, Mol. Phys. 97(12), 1225 (1999), 10.1080/00268979909482924] accounting for non-spherical interactions is presented. An analytical expression for the Helmholtz free energy for an equivalent discrete potential is given as a function of density, temperature, and intermolecular parameters with implicit shape dependence. The presented procedure is suitable for the description of the thermodynamics of general intermolecular potential models of arbitrary shape. The overlap and dispersion forces are represented by a discrete potential formed by a sequence of square-well and square-shoulders potentials of shape-dependent widths. By varying the intermolecular parameters through their geometrical dependence, some illustrative cases of square-well spherocylinders and Kihara fluids are considered, and their vapor-liquid phase diagrams are tested against available simulation data. It is found that this theoretical approach is able to reproduce qualitatively and quantitatively well the Monte Carlo data for the selected potentials, except near the critical region.
NASA Technical Reports Server (NTRS)
Bellan, J.; Ohaska, K.
2001-01-01
The objective of this investigation is to derive a set of consistent mixing rules for calculating diffusivities and thermal diffusion factors over a thermodynamic regime encompassing the subcritical and supercritical ranges. These should serve for modeling purposes, and therefore for accurate simulations of high pressure phenomena such as fluid disintegration, turbulent flows and sprays. A particular consequence of this work will be the determination of effective Lewis numbers for supercritical conditions, thus enabling the examination of the relative importance of heat and mass transfer at supercritical pressures.
NASA Technical Reports Server (NTRS)
Lee, Y. M.
1971-01-01
Using a linearized theory of thermally and mechanically interacting mixture of linear elastic solid and viscous fluid, we derive a fundamental relation in an integral form called a reciprocity relation. This reciprocity relation relates the solution of one initial-boundary value problem with a given set of initial and boundary data to the solution of a second initial-boundary value problem corresponding to a different initial and boundary data for a given interacting mixture. From this general integral relation, reciprocity relations are derived for a heat-conducting linear elastic solid, and for a heat-conducting viscous fluid. An initial-boundary value problem is posed and solved for the mixture of linear elastic solid and viscous fluid. With the aid of the Laplace transform and the contour integration, a real integral representation for the displacement of the solid constituent is obtained as one of the principal results of the analysis.
Edison, J R; Monson, P A
2010-01-01
We study the dynamics of evaporation for lattice gas models of fluids in porous materials using a recently developed dynamic mean field theory. The theory yields a description of the dynamics that is consistent with the mean field theory of the thermodynamics at equilibrium. The nucleation processes associated with phase changes in the pore are emergent features of the dynamics. Our focus is on situations where there is partial drying or drying in the system, associated with weakly attractive or repulsive interactions between the fluid and the pore walls. We consider two systems in this work: (i) a two-dimensional slit pore geometry relevant to the study of adsorption/desorption or intrusion/extrusion dynamics for fluids in porous materials and (ii) a three dimensional slit pore modeling a pair of square plates in a bath of liquid as used in recent theoretical studies of dewetting processes between hydrophobic surfaces. We assess the theory by comparison with a higher order approximation to the dynamics that yields the Bethe-Peierls or quasi-chemical approximation at equilibrium. PMID:21043421
NASA Astrophysics Data System (ADS)
Caccamo, Carlo; Pellicane, Giuseppe
2002-09-01
We investigate the accuracy of two well-known integral equation theories (IETs) of the fluid state, namely, the modified hypernetted chain (MHNC) approximation and the hybridized mean spherical approximation (HMSA), as applied to systems characterized by short-range interactions. The theoretical approaches are implemented by enforcing their thermodynamic consistency according to two different strategies: in one case the equality of the isothermal compressibility, as calculated via the virial and fluctuation routes from structure to thermodynamics, is imposed ["local" consistency (LC)] in the other case the equality of the pressure as calculated either via the two previous routes, or via the virial and the energy routes, is imposed ["global" consistency (GC)]. We show that for the class of potentials at issue the GC is in general considerably more accurate than the LC. We document this result by investigating the performances of the MHNC and the HMSA, as applied to the calculation of the thermodynamic and structural properties of the hard-core Yukawa (HCY) potential, the Derjaguin-Landau-Vervey-Overbeek (DLVO) potential and the Girifalco potential for fullerenes. The obtained results are then compared with Monte Carlo simulation data, that we also produce for the same model systems. As far as the HCY potential is concerned, the investigation covers a range of the Yukawa inverse decay length, z, spanning from z=1.8 when the interaction mimics the Lennard-Jones 12-6 potential, to z=7 when the potential mimics the "effective" short range interaction between globular proteins in a highly charge-screened aqueous solution. IETs are then applied to the DLVO potential with charge and Hamaker constant values which fit the dynamical interaction factor of lysozyme in a solution of high ionic strength, and to the Girifalco potential with parameters appropriate to model C60 and C70. It emerges from the present study that the GC is able to provide Helmholtz free energies and
Theory of activated penetrant diffusion in viscous fluids and colloidal suspensions
NASA Astrophysics Data System (ADS)
Zhang, Rui; Schweizer, Kenneth S.
2015-10-01
We heuristically formulate a microscopic, force level, self-consistent nonlinear Langevin equation theory for activated barrier hopping and non-hydrodynamic diffusion of a hard sphere penetrant in very dense hard sphere fluid matrices. Penetrant dynamics is controlled by a rich competition between force relaxation due to penetrant self-motion and collective matrix structural (alpha) relaxation. In the absence of penetrant-matrix attraction, three activated dynamical regimes are predicted as a function of penetrant-matrix size ratio which are physically distinguished by penetrant jump distance and the nature of matrix motion required to facilitate its hopping. The penetrant diffusion constant decreases the fastest with size ratio for relatively small penetrants where the matrix effectively acts as a vibrating amorphous solid. Increasing penetrant-matrix attraction strength reduces penetrant diffusivity due to physical bonding. For size ratios approaching unity, a distinct dynamical regime emerges associated with strong slaving of penetrant hopping to matrix structural relaxation. A crossover regime at intermediate penetrant-matrix size ratio connects the two limiting behaviors for hard penetrants, but essentially disappears if there are strong attractions with the matrix. Activated penetrant diffusivity decreases strongly with matrix volume fraction in a manner that intensifies as the size ratio increases. We propose and implement a quasi-universal approach for activated diffusion of a rigid atomic/molecular penetrant in a supercooled liquid based on a mapping between the hard sphere system and thermal liquids. Calculations for specific systems agree reasonably well with experiments over a wide range of temperature, covering more than 10 orders of magnitude of variation of the penetrant diffusion constant.
Connecting Molecular Dynamics Simulations and Fluids Density Functional Theory of Block Copolymers
NASA Astrophysics Data System (ADS)
Hall, Lisa
Increased understanding and precise control over the nanoscale structure and dynamics of microphase separated block copolymers would advance development of mechanically robust but conductive materials for battery electrolytes, among other applications. Both coarse-grained molecular dynamics (MD) simulations and fluids (classical) density functional theory (fDFT) can capture the microphase separation of block copolymers, using similar monomer-based chain models and including local packing effects. Equilibrium free energies of various microphases are readily accessible from fDFT, which allows us to efficiently determine the equilibrium nanostructure over a large parameter space. Meanwhile, MD allows us to visualize specific polymer conformations in 3D over time and to calculate dynamic properties. The fDFT density profiles are used to initialize the MD simulations; this ensures the MD proceeds in the appropriate microphase separated state rather than in a metastable structure (useful especially for nonlamellar structures). The simulations equilibrate more quickly than simulations initialized with a random state, which is significant especially for long chains. We apply these methods to study the interfacial behavior and microphase separated structure of diblock and tapered block copolymers. Tapered copolymers consist of pure A and B monomer blocks on the ends separated by a tapered region that smoothly varies from A to B (or from B to A for an inverse taper). Intuitively, tapering increases the segregation strength required for the material to microphase separate and increases the width of the interfacial region. Increasing normal taper length yields a lower domain spacing and increased polymer mobility, while larger inverse tapers correspond to even lower domain spacing but decreased mobility. Thus the changes in dynamics with tapering cannot be explained by mapping to a diblock system at an adjusted effective segregation strength. This material is based upon work
KnotPad: Visualizing and Exploring Knot Theory with Fluid Reidemeister Moves.
Zhang, Hui; Weng, Jianguang; Jing, Lin; Zhong, Yiwen
2012-12-01
We present KnotPad, an interactive paper-like system for visualizing and exploring mathematical knots; we exploit topological drawing and math-aware deformation methods in particular to enable and enrich our interactions with knot diagrams. Whereas most previous efforts typically employ physically based modeling to simulate the 3D dynamics of knots and ropes, our tool offers a Reidemeister move based interactive environment that is much closer to the topological problems being solved in knot theory, yet without interfering with the traditional advantages of paper-based analysis and manipulation of knot diagrams. Drawing knot diagrams with many crossings and producing their equivalent is quite challenging and error-prone. KnotPad can restrict user manipulations to the three types of Reidemeister moves, resulting in a more fluid yet mathematically correct user experience with knots. For our principal test case of mathematical knots, KnotPad permits us to draw and edit their diagrams empowered by a family of interactive techniques. Furthermore, we exploit supplementary interface elements to enrich the user experiences. For example, KnotPad allows one to pull and drag on knot diagrams to produce mathematically valid moves. Navigation enhancements in KnotPad provide still further improvement: by remembering and displaying the sequence of valid moves applied during the entire interaction, KnotPad allows a much cleaner exploratory interface for the user to analyze and study knot equivalence. All these methods combine to reveal the complex spatial relationships of knot diagrams with a mathematically true and rich user experience. PMID:26357111
Theory of activated penetrant diffusion in viscous fluids and colloidal suspensions.
Zhang, Rui; Schweizer, Kenneth S
2015-10-14
We heuristically formulate a microscopic, force level, self-consistent nonlinear Langevin equation theory for activated barrier hopping and non-hydrodynamic diffusion of a hard sphere penetrant in very dense hard sphere fluid matrices. Penetrant dynamics is controlled by a rich competition between force relaxation due to penetrant self-motion and collective matrix structural (alpha) relaxation. In the absence of penetrant-matrix attraction, three activated dynamical regimes are predicted as a function of penetrant-matrix size ratio which are physically distinguished by penetrant jump distance and the nature of matrix motion required to facilitate its hopping. The penetrant diffusion constant decreases the fastest with size ratio for relatively small penetrants where the matrix effectively acts as a vibrating amorphous solid. Increasing penetrant-matrix attraction strength reduces penetrant diffusivity due to physical bonding. For size ratios approaching unity, a distinct dynamical regime emerges associated with strong slaving of penetrant hopping to matrix structural relaxation. A crossover regime at intermediate penetrant-matrix size ratio connects the two limiting behaviors for hard penetrants, but essentially disappears if there are strong attractions with the matrix. Activated penetrant diffusivity decreases strongly with matrix volume fraction in a manner that intensifies as the size ratio increases. We propose and implement a quasi-universal approach for activated diffusion of a rigid atomic/molecular penetrant in a supercooled liquid based on a mapping between the hard sphere system and thermal liquids. Calculations for specific systems agree reasonably well with experiments over a wide range of temperature, covering more than 10 orders of magnitude of variation of the penetrant diffusion constant. PMID:26472397
Theory of activated penetrant diffusion in viscous fluids and colloidal suspensions
Zhang, Rui; Schweizer, Kenneth S.
2015-10-14
We heuristically formulate a microscopic, force level, self-consistent nonlinear Langevin equation theory for activated barrier hopping and non-hydrodynamic diffusion of a hard sphere penetrant in very dense hard sphere fluid matrices. Penetrant dynamics is controlled by a rich competition between force relaxation due to penetrant self-motion and collective matrix structural (alpha) relaxation. In the absence of penetrant-matrix attraction, three activated dynamical regimes are predicted as a function of penetrant-matrix size ratio which are physically distinguished by penetrant jump distance and the nature of matrix motion required to facilitate its hopping. The penetrant diffusion constant decreases the fastest with size ratio for relatively small penetrants where the matrix effectively acts as a vibrating amorphous solid. Increasing penetrant-matrix attraction strength reduces penetrant diffusivity due to physical bonding. For size ratios approaching unity, a distinct dynamical regime emerges associated with strong slaving of penetrant hopping to matrix structural relaxation. A crossover regime at intermediate penetrant-matrix size ratio connects the two limiting behaviors for hard penetrants, but essentially disappears if there are strong attractions with the matrix. Activated penetrant diffusivity decreases strongly with matrix volume fraction in a manner that intensifies as the size ratio increases. We propose and implement a quasi-universal approach for activated diffusion of a rigid atomic/molecular penetrant in a supercooled liquid based on a mapping between the hard sphere system and thermal liquids. Calculations for specific systems agree reasonably well with experiments over a wide range of temperature, covering more than 10 orders of magnitude of variation of the penetrant diffusion constant.
NASA Technical Reports Server (NTRS)
Bellan, Josette; Harstad, Kenneth; Ohsaka, Kenichi
2003-01-01
Although the high pressure multicomponent fluid conservation equations have already been derived and approximately validated for binary mixtures by this PI, the validation of the multicomponent theory is hampered by the lack of existing mixing rules for property calculations. Classical gas dynamics theory can provide property mixing-rules at low pressures exclusively. While thermal conductivity and viscosity high-pressure mixing rules have been documented in the literature, there is no such equivalent for the diffusion coefficients and the thermal diffusion factors. The primary goal of this investigation is to extend the low pressure mixing rule theory to high pressures and validate the new theory with experimental data from levitated single drops. The two properties that will be addressed are the diffusion coefficients and the thermal diffusion factors. To validate/determine the property calculations, ground-based experiments from levitated drops are being conducted.
Tounsi, Abdeloauhed; Heireche, Houari; Benzair, Abdelnour; Mechab, Ismail
2009-11-01
Most recently, Lee and Chang (2009 J. Phys.: Condens. Matter 21 115302) combined nonlocal theory and Euler-Bernoulli beam theory in the study of the vibration of the fluid-conveying double-walled carbon nanotube. In this recent published work, the importance of using nonlocal stress tensors consistently has been overlooked, and some ensuring relations were still presented based on the local stress components. Therefore, the governing equations and applied forces obtained in this manner are either inconsistent or incomplete. In this comment, the consistent governing equations for modelling free transverse vibration of the fluid-conveying double-walled carbon nanotube using the nonlocal Euler-Bernoulli beam model are derived. PMID:21832479
NASA Astrophysics Data System (ADS)
Krawczyk, Jaroslaw; Croce, Salvatore; Chakrabarti, Buddhapriya; Tasche, Jos
The surface segregation in polymer mixtures remains a challenging problem for both academic exploration as well as industrial applications. Despite its ubiquity and several theoretical attempts a good agreement between computed and experimentally observed profiles has not yet been achieved. A simple theoretical model proposed in this context by Schmidt and Binder combines Flory-Huggins free energy of mixing with the square gradient theory of wetting of a wall by fluid. While the theory gives us a qualitative understanding of the surface induced segregation and the surface enrichment it lacks the quantitative comparison with the experiment. The statistical associating fluid theory (SAFT) allows us to calculate accurate free energy for a real polymeric materials. In an earlier work we had shown that increasing the bulk modulus of a polymer matrix through which small molecules migrate to the free surface causes reduction in the surface migrant fraction using Schmidt-Binder and self-consistent field theories. In this work we validate this idea by combining mean field theories and SAFT to identify parameter ranges where such an effect should be observable. Department of Molecular Physics, Łódź University of Technology, Żeromskiego 116, 90-924 Łódź, Poland.
NASA Astrophysics Data System (ADS)
Varga, Szabolcs; Szalai, István; Liszi, János; Jackson, George
2002-05-01
We present a density-functional approach to describe the orientational ordering of nonpolar and dipolar Gay-Berne fluids. The first-order perturbation theory developed by Velasco et al. [J. Chem. Phys. 102, 8107 (1995)] for a Gay-Berne fluid is simplified and tested for molecules with a length to breath ratio of κ=3 and energy anisotropies of κ'=1, 1.25, 2.5, and 5. The theory is found to be in fair agreement with existing simulation data for the location of the isotopic-nematic phase transition, but it overestimates the vapor-liquid critical point of the fluid due to a description of the free energy at the mean-field level. The effect on the phase behavior of including a central longitudinal point dipole within the Gay-Berne molecule is studied using a correct treatment of the long-range dipolar contribution at the level of a second-order virial theory [B. Groh and S. Dietrich, Phys. Rev. E 50, 3814 (1994)]. For a given energy anisotropy of κ'=5 and reduced dipole moment μ*=0.5 we search for a stable ferroelectric nematic phase by changing the length to breath ratio κ. We do not find any evidence of ferroelectric nematic ordering for κ>1.5; the system only exhibits vapor-liquid and isotropic-nematic phase transitions for these values of the aspect ratios. For a slightly elongated and oblate shaped potential (e.g., κ=0.5), regions of stable isotropic-ferroelectric nematic and nematic-ferroelectric nematic phase coexistences are observed. The results of the theory indicate that a ferroelectic nematic fluid phase may be stabilized with respect to the positional ordering in the fluid of oblate dipolar particles. Comparison are made, where appropriate, with the existing results of Monte Carlo simulations for dipolar Gay-Berne fluids (Rull and co-workers, Molec. Phys. 94, 439 (1998); J. Chem. Phys. 109, 9529 (1998)).
The role of fluid-wall interactions on confined liquid diffusion using Mori theory
Devi, Reena; Srivastava, Sunita; Tankeshwar, K.
2015-07-14
The dynamics of fluid confined in a nano-channel with smooth walls have been studied through velocity autocorrelation function within the memory function approach by incorporating the atomic level interactions of fluid with the confining wall. Expressions for the second and fourth sum rules of velocity autocorrelation have been derived for nano-channel which involves fluid-fluid and fluid-wall interactions. These expressions, in addition, involve pair correlation function and density profiles. The numerical contributions of fluid-wall interaction to sum rules are found to play a very significant role, specifically at smaller channel width. Results obtained for velocity autocorrelation and self-diffusion coefficient of a fluid confined to different widths of the nanochannel have been compared with the computer simulation results. The comparison shows a good agreement except when the width of the channel is of the order of two atomic diameters, where it becomes difficult to estimate sum rules involving the triplet correlation’s contribution.
NASA Astrophysics Data System (ADS)
Ghobadi, Ahmadreza F.; Elliott, J. Richard
2013-12-01
In this work, we aim to develop a version of the Statistical Associating Fluid Theory (SAFT)-γ equation of state (EOS) that is compatible with united-atom force fields, rather than experimental data. We rely on the accuracy of the force fields to provide the relation to experimental data. Although, our objective is a transferable theory of interfacial properties for soft and fused heteronuclear chains, we first clarify the details of the SAFT-γ approach in terms of site-based simulations for homogeneous fluids. We show that a direct comparison of Helmholtz free energy to molecular simulation, in the framework of a third order Weeks-Chandler-Andersen perturbation theory, leads to an EOS that takes force field parameters as input and reproduces simulation results for Vapor-Liquid Equilibria (VLE) calculations. For example, saturated liquid density and vapor pressure of n-alkanes ranging from methane to dodecane deviate from those of the Transferable Potential for Phase Equilibria (TraPPE) force field by about 0.8% and 4%, respectively. Similar agreement between simulation and theory is obtained for critical properties and second virial coefficient. The EOS also reproduces simulation data of mixtures with about 5% deviation in bubble point pressure. Extension to inhomogeneous systems and united-atom site types beyond those used in description of n-alkanes will be addressed in succeeding papers.
Edison, John R.; Monson, Peter A.
2014-07-14
Recently we have developed a dynamic mean field theory (DMFT) for lattice gas models of fluids in porous materials [P. A. Monson, J. Chem. Phys. 128(8), 084701 (2008)]. The theory can be used to describe the relaxation processes in the approach to equilibrium or metastable states for fluids in pores and is especially useful for studying system exhibiting adsorption/desorption hysteresis. In this paper we discuss the extension of the theory to higher order by means of the path probability method (PPM) of Kikuchi and co-workers. We show that this leads to a treatment of the dynamics that is consistent with thermodynamics coming from the Bethe-Peierls or Quasi-Chemical approximation for the equilibrium or metastable equilibrium states of the lattice model. We compare the results from the PPM with those from DMFT and from dynamic Monte Carlo simulations. We find that the predictions from PPM are qualitatively similar to those from DMFT but give somewhat improved quantitative accuracy, in part due to the superior treatment of the underlying thermodynamics. This comes at the cost of greater computational expense associated with the larger number of equations that must be solved.
NASA Astrophysics Data System (ADS)
Singh, R. C.
2009-07-01
The effects of quadrupole moments on the phase behaviour of isotropic-nematic transition are studied by using density functional theory for a system of molecules which interact via the Gay-Berne pair potential. The pair correlation functions of isotropic phase, which enter in the theory as input information, are found from the Percus-Yevick integral equation theory. The method used involves an expansion of angle-dependent functions appearing in the integral equations in terms of spherical harmonics and the harmonic coefficients are obtained by an iterative algorithm. All the terms of harmonic coefficients which involve l indices up to less than or equal to six have been considered. The dependence of the accuracy of the results on the number of terms taken in the basis set is explored for both fluids at different densities, temperatures and quadrupole moments. The results have been compared with the available computer simulation results.
Tao, Chao; Jiang, Jack J.; Czerwonka, Lukasz
2011-01-01
The human vocal fold is treated as a continuous, transversally isotropic, porous solid saturated with liquid. A set of mathematical equations, based on the theory of fluid-saturated porous solids, is developed to formulate the vibration of the vocal fold tissue. As the fluid-saturated porous tissue model degenerates to the continuous elastic tissue model when the relative movement of liquid in the porous tissue is ignored, it can be considered a more general description of vocal fold tissue than the continuous, elastic model. Using the fluid-saturated porous tissue model, the vibration of a bunch of one-dimensional fibers in the vocal fold is analytically solved based on the small amplitude assumption. It is found that the vibration of the tissue will lead to the accumulation of excess liquid in the midmembranous vocal fold. The degree of liquid accumulation is positively proportional to the vibratory amplitude and frequency. The correspondence between the liquid distribution predicted by the porous tissue theory and the location of vocal nodules observed in clinical practice, provides theoretical evidence for the liquid accumulation hypothesis of vocal nodule formation (Jiang, Ph. D., dissertation, 1991, University of Iowa). PMID:19660905
Cohen, A P; Janai, E; Rapaport, D C; Schofield, A B; Sloutskin, E
2012-11-14
The microscopic structure of fluids of simple spheres is well known. However, the constituents of most real-life fluids are non-spherical, leading to a coupling between the rotational and translational degrees of freedom. The structure of simple dense fluids of spheroids - ellipsoids of revolution - was only recently determined by direct experimental techniques [A. P. Cohen, E. Janai, E. Mogilko, A. B. Schofield, and E. Sloutskin, Phys. Rev. Lett. 107, 238301 (2011)]. Using confocal microscopy, it was demonstrated that the structure of these simple fluids cannot be described by hard particle models based on the widely used Percus-Yevick approximation. In this paper, we describe a new protocol for determining the shape of the experimental spheroids, which allows us to expand our previous microscopy measurements of these fluids. To avoid the approximations in the theoretical approach, we have also used molecular dynamics simulations to reproduce the experimental radial distribution functions g(r) and estimate the contribution of charge effects to the interactions. Accounting for these charge effects within the Percus-Yevick framework leads to similar agreement with the experiment. PMID:23163381
A new fluid scheme for weakly collisional plasmas: 1. General theory
NASA Astrophysics Data System (ADS)
Chiuderi, C.; Pietrini, P.; Torricelli-Ciamponi, G.
2011-04-01
We present a new approach to the study of two-fluid hydrodynamics of weakly collisional plasma systems, such as those frequently encountered in the astrophysical context. Our starting point is the novel procedure developed in past years by Chen, Rao, and Spiegel (CRS) for the fluid description of semicollisional neutral monoatomic gases. The new system of fluid equations that include viscous and conductive effects has been successfully tested. However, the extension of such a procedure to plasmas is not a straightforward one. We have to deal with (at least) two components, with vastly different values of the masses, and the nature of collisions between charged particles is substantially different from the neutral particle case. We perform a preliminary careful examination of the basic requirements of the CRS method and identify the conditions under which an extension of such method is indeed possible. We then derive the system of fluid equations appropriate to the description of a weakly collisional two-component plasma in the new scheme and discuss the differences with respect to the more familiar Navier-Stokes approach. This paper is therefore of a general theoretical nature. However, we also point out that solar wind is a good testing ground for the newly derived system of fluid equations. This application will be the subject of a subsequent paper.
Ramos, J. J.
2010-08-15
A closed theoretical model to describe slow, macroscopic plasma processes in a fusion-relevant collisionality regime is set forward. This formulation is a hybrid one, with fluid conservation equations for particle number, momentum and energy, and drift-kinetic closures. Intended for realistic application to the core of a high-temperature tokamak plasma, the proposed approach is unconventional in that the ion collisionality is ordered lower than in the ion banana regime of neoclassical theory. The present first part of a two-article series concerns the electron system, which is still equivalent to one based on neoclassical electron banana orderings. This system is derived such that it ensures the precise compatibility among the complementary fluid and drift-kinetic equations, and the rigorous treatment of the electric field and the Fokker-Planck-Landau collision operators. As an illustrative application, the special limit of an axisymmetric equilibrium is worked out in detail.
Long-range weight functions in fundamental measure theory of the non-uniform hard-sphere fluid.
Hansen-Goos, Hendrik
2016-06-22
We introduce long-range weight functions to the framework of fundamental measure theory (FMT) of the non-uniform, single-component hard-sphere fluid. While the range of the usual weight functions is equal to the hard-sphere radius R, the modified weight functions have range 3R. Based on the augmented FMT, we calculate the radial distribution function g(r) up to second order in the density within Percus' test particle theory. Consistency of the compressibility and virial routes on this level allows us to determine the free parameter γ of the theory. As a side result, we obtain a value for the fourth virial coefficient B 4 which deviates by only 0.01% from the exact result. The augmented FMT is tested for the dense fluid by comparing results for g(r) calculated via the test particle route to existing results from molecular dynamics simulations. The agreement at large distances (r > 6R) is significantly improved when the FMT with long-range weight functions is used. In order to improve agreement close to contact (r = 2R) we construct a free energy which is based on the accurate Carnahan-Starling equation of state, rather than the Percus-Yevick compressibility equation underlying standard FMT. PMID:27115721
Mirigian, Stephen; Schweizer, Kenneth
2014-01-01
We generalize the force-level nonlinear Langevin equation theory of single particle hopping to include collective effects associated with long range elastic distortion of the liquid. The activated alpha relaxation event is of a mixed spatial character, involving two distinct, but inter-related, local and collective barriers. There are no divergences at volume fractions below jamming or temperatures above zero Kelvin. The ideas are first developed and implemented analytically and numerically in the context of hard sphere fluids. In an intermediate volume fraction crossover regime, the local cage process is dominant in a manner consistent with an apparent Arrhenius behavior. The super-Arrhenius collective barrier is more strongly dependent on volume fraction, dominates the highly viscous regime, and is well described by a nonsingular law below jamming. The increase of the collective barrier is determined by the amplitude of thermal density fluctuations, dynamic shear modulus or transient localization length, and a growing microscopic jump length. Alpha relaxation time calculations are in good agreement with recent experiments and simulations on dense fluids and suspensions of hard spheres. Comparisons of the theory with elastic models and entropy crisis ideas are explored. The present work provides a foundation for constructing a quasi-universal, fit-parameter-free theory for relaxation in thermal molecular liquids over 14 orders of magnitude in time.
Long-range weight functions in fundamental measure theory of the non-uniform hard-sphere fluid
NASA Astrophysics Data System (ADS)
Hansen-Goos, Hendrik
2016-06-01
We introduce long-range weight functions to the framework of fundamental measure theory (FMT) of the non-uniform, single-component hard-sphere fluid. While the range of the usual weight functions is equal to the hard-sphere radius R, the modified weight functions have range 3R. Based on the augmented FMT, we calculate the radial distribution function g(r) up to second order in the density within Percus’ test particle theory. Consistency of the compressibility and virial routes on this level allows us to determine the free parameter γ of the theory. As a side result, we obtain a value for the fourth virial coefficient B 4 which deviates by only 0.01% from the exact result. The augmented FMT is tested for the dense fluid by comparing results for g(r) calculated via the test particle route to existing results from molecular dynamics simulations. The agreement at large distances (r > 6R) is significantly improved when the FMT with long-range weight functions is used. In order to improve agreement close to contact (r = 2R) we construct a free energy which is based on the accurate Carnahan–Starling equation of state, rather than the Percus–Yevick compressibility equation underlying standard FMT.
Equation-of-state spinning fluids in the Einstein-Cartan theory
NASA Technical Reports Server (NTRS)
Ray, John R.; Smalley, Larry L.
1987-01-01
The relativistic fluid equations may be completed in two physically distinct methods. One method assumes the mass, rho, (or particle number) is conserved, while the other method assumes an equation of state of the form P = P(rho). A variational principle for the mass conservation method both with and without an intrinsic spin for the fluid was constructed earlier (Ray and Smalley, 1982 and 1983). A variational principle for the fluid described by an equation of state both with and without spin is formulated. In all cases the variational principle is set in the Einstein-Cartan metric-torsion U4 geometry. The results for general relativity follow as a special case.
[Research on Wang Mengying's theory of nourishing - Yin and protecting - fluid].
Feng, Chonglian
2002-01-01
As a famous physician of Zhejiang and Jiangsu in the late Qing dynasty, Wang Mengying was especially conversant with Wen Bing (Warm Disease). By reading Wang's works and his 16 - volume clinical case records now extant, it can be held that the clinical career of Wang was penetrated with the idea of nourishing - yin and protecting - fluid, which can be summarized into as. plain nourishing, reducing yang to nourish yin, activating Qi and distributing fluid, and protection prior to having been injured. PMID:12015060
A variational principle for compressible fluid mechanics: Discussion of the multi-dimensional theory
NASA Technical Reports Server (NTRS)
Prozan, R. J.
1982-01-01
The variational principle for compressible fluid mechanics previously introduced is extended to two dimensional flow. The analysis is stable, exactly conservative, adaptable to coarse or fine grids, and very fast. Solutions for two dimensional problems are included. The excellent behavior and results lend further credence to the variational concept and its applicability to the numerical analysis of complex flow fields.
Wall-fluid and liquid-gas interfaces of model colloid-polymer mixtures by simulation and theory.
Fortini, Andrea; Dijkstra, Marjolein; Schmidt, Matthias; Wessels, Paul P F
2005-05-01
We perform a study of the interfacial properties of a model suspension of hard sphere colloids with diameter sigma(c) and nonadsorbing ideal polymer coils with diameter sigma(p) . For the mixture in contact with a planar hard wall, we obtain from simulations the wall-fluid interfacial free energy, gamma(wf) , for size ratios q =sigma(p)/sigma(c) =0.6 and 1, using thermodynamic integration, and study the (excess) adsorption of colloids, Gamma(c) , and of polymers, Gamma(p) , at the hard wall. The interfacial tension of the free liquid-gas interface, gamma(lg) , is obtained following three different routes in simulations: (i) from studying the system size dependence of the interfacial width according to the predictions of capillary wave theory, (ii) from the probability distribution of the colloid density at coexistence in the grand canonical ensemble, and (iii) for state points where the colloidal liquid wets the wall completely, from Young's equation relating gamma(lg) to the difference of wall-liquid and wall-gas interfacial tensions, gamma(wl)-gamma(wg) . In addition, we calculate gamma(wf) ,Gamma(c) , and Gamma(p) using density functional theory and a scaled particle theory based on free volume theory. Good agreement is found between the simulation results and those from density functional theory, while the results from scaled particle theory quantitatively deviate but reproduce some essential features. Simulation results for gamma(lg) obtained from the three different routes are all in good agreement. Density functional theory predicts gamma(lg) with good accuracy for high polymer reservoir packing fractions, but yields deviations from the simulation results close to the critical point. PMID:16089531
Towards a non-linear theory for fluid pressure and osmosis in shales
NASA Astrophysics Data System (ADS)
Droghei, Riccardo; Salusti, Ettore
2015-04-01
In exploiting deep hydrocarbon reservoirs, often injections of fluid and/or solute are used. To control and avoid troubles as fluid and gas unexpected diffusions, a reservoir characterization can be obtained also from observations of space and time evolution of micro-earthquake clouds resulting from such injections. This is important since several among the processes caused by fluid injections can modify the deep matrix. Information about the evolution of such micro-seismicity clouds therefore plays a realistic role in the reservoir analyses. To reach a better insight about such processes, and obtain a better system control, we here analyze the initial stress necessary to originate strong non linear transients of combined fluid pressure and solute density (osmosis) in a porous matrix. All this can indeed perturb in a mild (i.e. a linear diffusion) or dramatic non linear way the rock structure, till inducing rock deformations, micro-earthquakes or fractures. I more detail we here assume first a linear Hooke law relating strain, stress, solute density and fluid pressure, and analyze their effect in the porous rock dynamics. Then we analyze its generalization, i.e. the further non linear effect of a stronger external pressure, also in presence of a trend of pressure or solute in the whole region. We moreover characterize the zones where a sudden arrival of such a front can cause micro-earthquakes or fractures. All this allows to reach a novel, more realistic insight about the control of rock evolution in presence of strong pressure fronts. We thus obtain a more efficient reservoir control to avoid large geological perturbations. It is of interest that our results are very similar to those found by Shapiro et al.(2013) with a different approach.
Goddard, B D; Nold, A; Savva, N; Yatsyshin, P; Kalliadasis, S
2013-01-23
Starting from the Kramers equation for the phase-space dynamics of the N-body probability distribution, we derive a dynamical density functional theory (DDFT) for colloidal fluids including the effects of inertia and hydrodynamic interactions (HI). We compare the resulting theory to extensive Langevin dynamics simulations for both hard rod systems and three-dimensional hard sphere systems with radially symmetric external potentials. As well as demonstrating the accuracy of the new DDFT, by comparing with previous DDFTs which neglect inertia, HI, or both, we also scrutinize the significance of including these effects. Close to local equilibrium we derive a continuum equation from the microscopic dynamics which is a generalized Navier-Stokes-like equation with additional non-local terms governing the effects of HI. For the overdamped limit we recover analogues of existing configuration-space DDFTs but with a novel diffusion tensor. PMID:23220969
Review of nonlinear dynamics of the unstable fluid interface: conservation laws and group theory
NASA Astrophysics Data System (ADS)
Abarzhi, Snezhana I.
2008-12-01
In this paper, we briefly overview some theoretical approaches and empirical modeling approaches of the nonlinear Rayleigh-Taylor instabilities, which have been developed over recent decades, summarize the results of the group theory analysis of the nonlinear coherent dynamics in Rayleigh-Taylor and Richtmyer-Meshkov flows, consider the issues of validation and verification of the theories and models, and outline some criteria for the estimate of the fidelity and information capacity of the experimental and numerical data sets.
Fluid-solid transition in simple systems using density functional theory
Bharadwaj, Atul S.; Singh, Yashwant
2015-09-28
A free energy functional for a crystal which contains both the symmetry-conserved and symmetry-broken parts of the direct pair correlation function has been used to investigate the fluid-solid transition in systems interacting via purely repulsive Weeks-Chandler-Anderson Lennard–Jones potential and the full Lennard–Jones potential. The results found for freezing parameters for the fluid-face centred cubic crystal transition are in very good agreement with simulation results. It is shown that although the contribution made by the symmetry broken part to the grand thermodynamic potential at the freezing point is small compared to that of the symmetry conserving part, its role is crucial in stabilizing the crystalline structure and on values of the freezing parameters.
Fluid-solid transition in simple systems using density functional theory
NASA Astrophysics Data System (ADS)
Bharadwaj, Atul S.; Singh, Yashwant
2015-09-01
A free energy functional for a crystal which contains both the symmetry-conserved and symmetry-broken parts of the direct pair correlation function has been used to investigate the fluid-solid transition in systems interacting via purely repulsive Weeks-Chandler-Anderson Lennard-Jones potential and the full Lennard-Jones potential. The results found for freezing parameters for the fluid-face centred cubic crystal transition are in very good agreement with simulation results. It is shown that although the contribution made by the symmetry broken part to the grand thermodynamic potential at the freezing point is small compared to that of the symmetry conserving part, its role is crucial in stabilizing the crystalline structure and on values of the freezing parameters.
Continuum theories for fluid-particle flows: Some aspects of lift forces and turbulence
NASA Technical Reports Server (NTRS)
Mctigue, David F.; Givler, Richard C.; Nunziato, Jace W.
1988-01-01
A general framework is outlined for the modeling of fluid particle flows. The momentum exchange between the constituents embodies both lift and drag forces, constitutive equations for which can be made explicit with reference to known single particle analysis. Relevant results for lift are reviewed, and invariant representations are posed. The fluid and particle velocities and the particle volume fraction are then decomposed into mean and fluctuating parts to characterize turbulent motions, and the equations of motion are averaged. In addition to the Reynolds stresses, further correlations between concentration and velocity fluctuations appear. These can be identified with turbulent transport processes such as eddy diffusion of the particles. When the drag force is dominant, the classical convection dispersion model for turbulent transport of particles is recovered. When other interaction forces enter, particle segregation effects can arise. This is illustrated qualitatively by consideration of turbulent channel flow with lift effects included.
Scalar-fluid theories: cosmological perturbations and large-scale structure
NASA Astrophysics Data System (ADS)
Koivisto, Tomi S.; Saridakis, Emmanuel N.; Tamanini, Nicola
2015-09-01
Recently a new Lagrangian framework was introduced to describe interactions between scalar fields and relativistic perfect fluids. This allows two consistent generalizations of coupled quintessence models: non-vanishing pressures and a new type of derivative interaction. The implications of these to the formation of cosmological large-scale structure are uncovered here at the linear order. The full perturbation equations in the two cases are derived in a unified formalism and their Newtonian, quasi-static limit is studied analytically. Requiring the absence of an effective sound speed term in the coupled dark matter fluid restricts the Lagrangian to be a linear function of the matter number density. This leaves new potentially viable classes of both algebraically and derivatively interacting models wherein the coupling may impact the background expansion dynamics and imprint new signatures into the large-scale structure.
Approximative "one particle" bridge function B(1)(r) for the theory of simple fluids.
Bomont, Jean-Marc; Bretonnet, Jean-Louis
2007-06-01
New properties for the one particle bridge function B(1)(r), which are necessary to the calculation of the excess chemical potential betamue), are derived for the hard sphere fluid. The method, which only requires the knowledge of the bridge function B(2)(r), is based on an investigation of the correlation function dependence on the Kirkwood charging parameter. In this framework, the unavoidable question of topological homotopy is addressed. As far as B(2)(r) is considered as exact, this work provides useful information on B(1)(r) in the well identified dynamical regimes of the hard sphere fluid. Signatures of the transitions between these regimes are identified on the trends of B(1)(r). This approach provides self-consistent results for betamue) that agree very well with simulation data. PMID:17567205
Coupled fluid-structure interaction. Part 1: Theory. Part 2: Application
NASA Technical Reports Server (NTRS)
Felippa, Carlos A.; Ohayon, Roger
1991-01-01
A general three dimensional variational principle is obtained for the motion of an acoustic field enclosed in a rigid or flexible container by the method of canonical decomposition applied to a modified form of the wave equation in the displacement potential. The general principle is specialized to a mixed two-field principle that contains the fluid displacement potential and pressure as independent fields. Semidiscrete finite element equations of motion based on this principle are derived and sample cases are given.
NASA Astrophysics Data System (ADS)
Singh, Ram Chandra; Ram, Jokhan
2011-11-01
The effects of quadrupole moments on the isotropic-nematic (IN) phase transitions are studied using the density-functional theory (DFT) for a Gay-Berne (GB) fluid for a range of length-to-breadth parameters ? in the reduced temperature range ? . The pair-correlation functions of the isotropic phase, which enter into the DFT as input parameters are found by solving the Percus-Yevick integral equation theory. The method used involves an expansion of angle-dependent functions appearing in the integral equations in terms of spherical harmonics and the harmonic coefficients are obtained by an iterative algorithm. All the terms of harmonic coefficients which involve l indices up to less than or equal to 6 are considered. The numerical accuracy of the results depends on the number of spherical harmonic coefficients considered for each orientation-dependent function. As the length-to-breadth ratio of quadrupolar GB molecules is increased, the IN transition is seen to move to lower density (and pressure) at a given temperature. It has been observed that the DFT is good to study the IN transitions in such fluids. The theoretical results have also been compared with the computer simulation results wherever they are available.
Long wavelength gradient drift instability in Hall plasma devices. I. Fluid theory
Frias, Winston; Smolyakov, Andrei I.; Kaganovich, Igor D.; Raitses, Yevgeny
2012-07-15
The problem of long wavelength instabilities in Hall thruster plasmas is revisited. A fluid model of the instabilities driven by the E{sub 0} Multiplication-Sign B drift in plasmas with gradients of density, electron temperature, and magnetic field is proposed. It is shown that full account of compressibility of the electron flow in inhomogeneous magnetic field leads to quantitative modifications of earlier obtained instability criteria and characteristics of unstable modes. Modification of the stability criteria due to finite temperature fluctuations is investigated.
Higher dimensional exact solutions for a charged fluid sphere in general theory of relativity
NASA Astrophysics Data System (ADS)
Khadekar, G. S.; Shobhane, P. D.
2008-06-01
The exact higher dimensional solutions of Einstein-Maxwell field equations for spherically symmetric distribution of charged perfect fluid are obtained by using the method originally used by Hajj-Boutros and Sfeila (Gen. Relativ. Gravit. 18(4):395, 1986) for four-dimensional space-time. The new exact solutions have been generated from those of Khadekar et al. (J. Indian Math. Soc. 68(1 4):33, 2001), Humi and Mansour (Phys. Rev. D 29(6):1076, 1984) and Banerjee and Santos (J. Math. Phys. 22(4):824, 1981) in the frame work of higher dimensional space-time. The various physical properties are also discussed.
Multigrid methods for a semilinear PDE in the theory of pseudoplastic fluids
NASA Technical Reports Server (NTRS)
Henson, Van Emden; Shaker, A. W.
1993-01-01
We show that by certain transformations the boundary layer equations for the class of non-Newtonian fluids named pseudoplastic can be generalized in the form the vector differential operator(u) + p(x)u(exp -lambda) = 0, where x is a member of the set Omega and Omega is a subset of R(exp n), n is greater than or equal to 1 under the classical conditions for steady flow over a semi-infinite flat plate. We provide a survey of the existence, uniqueness, and analyticity of the solutions for this problem. We also establish numerical solutions in one- and two-dimensional regions using multigrid methods.
Reading Educational Reform with Actor Network Theory: Fluid Spaces, Otherings, and Ambivalences
ERIC Educational Resources Information Center
Fenwick, Tara
2011-01-01
In considering two extended examples of educational reform efforts, this discussion traces relations that become visible through analytic approaches associated with actor-network theory (ANT). The strategy here is to present multiple readings of the two examples. The first reading adopts an ANT approach to follow ways that all actors--human and…
Understanding the fluid nature of personhood - the ring theory of personhood.
Radha Krishna, Lalit Kumar; Alsuwaigh, Rayan
2015-03-01
Familial determination, replete with its frequent usurping of patient autonomy, propagation of collusion, and circumnavigation of direct patient involvement in their own care deliberations, continues to impact clinical practice in many Asian nations. Suggestions that underpinning this practice, in Confucian-inspired societies, is the adherence of the populace to the familial centric ideas of personhood espoused by Confucian ethics, provide a novel means of understanding and improving patient-centred care at the end of life. Clinical experience in Confucian-inspired Singapore, however, suggests that personhood is conceived in broader terms. This diverging view inspired a study of local conceptions of personhood and scrutiny of the influence of the family upon it. From the data gathered, a culturally appropriate, clinically relevant and ethically sensitive concept of personhood was proposed: the Ring Theory of Personhood (Ring Theory) that better captures the nuances of local conceptions of personhood. The Ring Theory highlights the fact that, far from being solely dependent upon familial centric ideals, local conceptions of personhood are dynamic, context dependent, evolving ideas delineated by four dimensions. Using the Ring Theory, the nature of familial influences upon the four dimensions of personhood - the Innate, Individual, Relational and Societal - are examined to reveal that, contrary to perceived knowledge, conceptions of personhood within Confucian societies are not the prime reason for the continued presence of this decision-making model but remain present within local thinking and practices as a sociocultural residue and primarily because of inertia in updating ideas. PMID:24547934
NASA Astrophysics Data System (ADS)
Ghobadi, Ahmadreza F.; Elliott, J. Richard
2014-07-01
In this work, a new classical density functional theory is developed for group-contribution equations of state (EOS). Details of implementation are demonstrated for the recently-developed SAFT-γ WCA EOS and selective applications are studied for confined fluids and vapor-liquid interfaces. The acronym WCA (Weeks-Chandler-Andersen) refers to the characterization of the reference part of the third-order thermodynamic perturbation theory applied in formulating the EOS. SAFT-γ refers to the particular form of "statistical associating fluid theory" that is applied to the fused-sphere, heteronuclear, united-atom molecular models of interest. For the monomer term, the modified fundamental measure theory is extended to WCA-spheres. A new chain functional is also introduced for fused and soft heteronuclear chains. The attractive interactions are taken into account by considering the structure of the fluid, thus elevating the theory beyond the mean field approximation. The fluctuations of energy are also included via a non-local third-order perturbation theory. The theory includes resolution of the density profiles of individual groups such as CH2 and CH3 and satisfies stoichiometric constraints for the density profiles. New molecular simulations are conducted to demonstrate the accuracy of each Helmholtz free energy contribution in reproducing the microstructure of inhomogeneous systems at the united-atom level of coarse graining. At each stage, comparisons are made to assess where the present theory stands relative to the current state of the art for studying inhomogeneous fluids. Overall, it is shown that the characteristic features of real molecular fluids are captured both qualitatively and quantitatively. For example, the average pore density deviates ˜2% from simulation data for attractive pentadecane in a 2-nm slit pore. Another example is the surface tension of ethane/heptane mixture, which deviates ˜1% from simulation data while the theory reproduces the excess
Theory and simulation of time-fractional fluid diffusion in porous media
NASA Astrophysics Data System (ADS)
Carcione, José M.; Sanchez-Sesma, Francisco J.; Luzón, Francisco; Perez Gavilán, Juan J.
2013-08-01
We simulate a fluid flow in inhomogeneous anisotropic porous media using a time-fractional diffusion equation and the staggered Fourier pseudospectral method to compute the spatial derivatives. A fractional derivative of the order of 0 < ν < 2 replaces the first-order time derivative in the classical diffusion equation. It implies a time-dependent permeability tensor having a power-law time dependence, which describes memory effects and accounts for anomalous diffusion. We provide a complete analysis of the physics based on plane waves. The concepts of phase, group and energy velocities are analyzed to describe the location of the diffusion front, and the attenuation and quality factors are obtained to quantify the amplitude decay. We also obtain the frequency-domain Green function. The time derivative is computed with the Grünwald-Letnikov summation, which is a finite-difference generalization of the standard finite-difference operator to derivatives of fractional order. The results match the analytical solution obtained from the Green function. An example of the pressure field generated by a fluid injection in a heterogeneous sandstone illustrates the performance of the algorithm for different values of ν. The calculation requires storing the whole pressure field in the computer memory since anomalous diffusion ‘recalls the past’.
Collapse and dispersal of a homogeneous spin fluid in Einstein-Cartan theory
NASA Astrophysics Data System (ADS)
Hashemi, M.; Jalalzadeh, S.; Ziaie, A. H.
2015-02-01
In the present work, we revisit the process of gravitational collapse of a spherically symmetric homogeneous dust fluid which is described by the Oppenheimer-Snyder (OS) model (Oppenheimer and Snyder in Phys Rev D 56:455, 1939). We show that such a scenario would not end in a spacetime singularity when the spin degrees of freedom of fermionic particles within the collapsing cloud are taken into account. To this purpose, we take the matter content of the stellar object as a homogeneous Weyssenhoff fluid. Employing the homogeneous and isotropic FLRW metric for the interior spacetime setup, it is shown that the spin of matter, in the context of a negative pressure, acts against the pull of gravity and decelerates the dynamical evolution of the collapse in its later stages. Our results show a picture of gravitational collapse in which the collapse process halts at a finite radius, whose value depends on the initial configuration. We thus show that the spacetime singularity that occurs in the OS model is replaced by a non-singular bounce beyond which the collapsing cloud re-expands to infinity. Depending on the model parameters, one can find a minimum value for the boundary of the collapsing cloud or correspondingly a threshold value for the mass content below which the horizon formation can be avoided. Our results are supported by a thorough numerical analysis.
NASA Astrophysics Data System (ADS)
Quiroga-Goode, G.; JiméNez-HernáNdez, S.; PéRez-Flores, M. A.; Padilla-HernáNdez, R.
2005-07-01
The attenuation effects predicted by Hickey's poroelastic theory (Hpt) are quantified by means of seismic modeling in an unbounded, homogeneous, isotropic porous model fully saturated with water and with oil. The numerical results are compared to those predicted by Biot poroelastic theory (Bpt). As opposed to Bpt, Hpt accounts for thermomechanical coupling and viscous fluid relaxation and adequately models the transient fluctuations of porosity and mass densities as the wave compresses and dilates the porous medium during propagation. Despite all these theoretical improvements over Bpt, the numerical results show that both theories produce remarkably similar waveforms. Without considering thermal relaxation, Hpt produces less than 1% higher-amplitude attenuation and velocity dispersion than Bpt. The major contrasts correspond to the slow P wave. Thermomechanical coupling affects the fast P wave: seismic amplitudes are 1% smaller and some dispersion for the oil-permeated case can be observed. It produces no effects on the fast S or the slow P wave. Therefore these numerical experiments appear to substantiate what Biot assumed at the outset of his theoretical developments: that the effects of transient oscillations of porosity during wave propagation are negligible in terms of velocity dispersion and amplitude attenuation. Furthermore it is confirmed that in a homogeneous porous medium, the combined dissipation mechanisms mentioned are not adequate to explain the total amount of energy dissipation observed in the field or laboratory.
Jasperse, John R.; Basu, Bamandas; Lund, Eric J.; Bouhram, Mehdi
2006-11-15
A new fluid theory in the guiding-center and gyrotropic approximation derivable from the ensemble-averaged Vlasov-Maxwell equations that included the effect of wave-particle interactions for weakly turbulent, weakly inhomogeneous, nonuniformly magnetized plasma was recently given by Jasperse, Basu, Lund, and Bouhram [Phys. Plasmas 13, 072903 (2006)]. In that theory, the particles are transported in one spatial dimension (the distance s along the magnetic field) but the turbulence is two-dimensional. In this paper, which is intended as a sequel, the above theory is used for quasisteady conditions to find: (1) a new formula for the perpendicular ion-heating rate per unit volume W{sub iperpendicular}(s), where W{sub iperpendicular}(s) decreases for large s by what we call the 'finite ion gyroradius effect'; and (2) a new formula for the perpendicular ion temperature at low altitudes, T{sub iperpendicular}(s). Parametrized calculations for T{sub iperpendicular}(s) are also given.
Scacchi, Alberto; Krüger, Matthias; Brader, Joseph M
2016-06-22
The classical dynamical density functional theory (DDFT) provides an approximate extension of equilibrium DFT to treat nonequilibrium systems subject to Brownian dynamics. However, the method fails when applied to driven systems, such as sheared colloidal dispersions. The breakdown of DDFT can be traced back to an inadequate treatment of the flow-induced distortion of the pair correlation functions. By considering the distortion of the pair correlations to second order in the flow-rate we show how to systematically correct the DDFT for driven systems. As an application of our approach we consider Poiseuille flow. The theory predicts that the particles will accumulate in spatial regions where the local shear rate is small, an effect known as shear-induced migration. We compare these predictions to Brownian dynamics simulations with generally good agreement. PMID:27115521
NASA Astrophysics Data System (ADS)
Scacchi, Alberto; Krüger, Matthias; Brader, Joseph M.
2016-06-01
The classical dynamical density functional theory (DDFT) provides an approximate extension of equilibrium DFT to treat nonequilibrium systems subject to Brownian dynamics. However, the method fails when applied to driven systems, such as sheared colloidal dispersions. The breakdown of DDFT can be traced back to an inadequate treatment of the flow-induced distortion of the pair correlation functions. By considering the distortion of the pair correlations to second order in the flow-rate we show how to systematically correct the DDFT for driven systems. As an application of our approach we consider Poiseuille flow. The theory predicts that the particles will accumulate in spatial regions where the local shear rate is small, an effect known as shear-induced migration. We compare these predictions to Brownian dynamics simulations with generally good agreement.
Selection principles and pattern formation in fluid mechanics and nonlinear shell theory
NASA Technical Reports Server (NTRS)
Sather, Duane P.
1987-01-01
Wave theories of vortex breakdown were studied. A setting which involved dynamical systems and bifurcations of homoclinic and heteroclinic orbits in infinite-dimensional spaces was investigated. The determination of axisymmetric inviscid flows bifurcating from the primary flow lead to the study of a system of ordinary differential equations. The problem of rotating plane Couette flow was solved by means of the structure parameter approach.
Two-Yukawa fluid at a hard wall: Field theory treatment
Kravtsiv, I.; Patsahan, T.; Holovko, M.; Caprio, D. di
2015-05-21
We apply a field-theoretical approach to study the structure and thermodynamics of a two-Yukawa fluid confined by a hard wall. We derive mean field equations allowing for numerical evaluation of the density profile which is compared to analytical estimations. Beyond the mean field approximation, analytical expressions for the free energy, the pressure, and the correlation function are derived. Subsequently, contributions to the density profile and the adsorption coefficient due to Gaussian fluctuations are found. Both the mean field and the fluctuation terms of the density profile are shown to satisfy the contact theorem. We further use the contact theorem to improve the Gaussian approximation for the density profile based on a better approximation for the bulk pressure. The results obtained are compared to computer simulation data.
Ghobadi, Ahmadreza F.; Elliott, J. Richard
2014-07-14
In this work, a new classical density functional theory is developed for group-contribution equations of state (EOS). Details of implementation are demonstrated for the recently-developed SAFT-γ WCA EOS and selective applications are studied for confined fluids and vapor-liquid interfaces. The acronym WCA (Weeks-Chandler-Andersen) refers to the characterization of the reference part of the third-order thermodynamic perturbation theory applied in formulating the EOS. SAFT-γ refers to the particular form of “statistical associating fluid theory” that is applied to the fused-sphere, heteronuclear, united-atom molecular models of interest. For the monomer term, the modified fundamental measure theory is extended to WCA-spheres. A new chain functional is also introduced for fused and soft heteronuclear chains. The attractive interactions are taken into account by considering the structure of the fluid, thus elevating the theory beyond the mean field approximation. The fluctuations of energy are also included via a non-local third-order perturbation theory. The theory includes resolution of the density profiles of individual groups such as CH{sub 2} and CH{sub 3} and satisfies stoichiometric constraints for the density profiles. New molecular simulations are conducted to demonstrate the accuracy of each Helmholtz free energy contribution in reproducing the microstructure of inhomogeneous systems at the united-atom level of coarse graining. At each stage, comparisons are made to assess where the present theory stands relative to the current state of the art for studying inhomogeneous fluids. Overall, it is shown that the characteristic features of real molecular fluids are captured both qualitatively and quantitatively. For example, the average pore density deviates ∼2% from simulation data for attractive pentadecane in a 2-nm slit pore. Another example is the surface tension of ethane/heptane mixture, which deviates ∼1% from simulation data while the theory
NASA Astrophysics Data System (ADS)
Tarigan, Hendra J.
2008-09-01
Backscattered He-Ne laser light from a side illuminated fluid-filled fused silica capillary tube generates a series of fringes when viewed in an imaging plane. The light intensity variation as a function of scattering angle constitutes a waveform, which contains hills and valleys. Geometrical Optics and Wave Theories, simultaneously, are employed to model the waveforms and quantify the index of refraction of fluid in the capillary tube.
Frink, L.J.D.; Salinger, A.G.
2000-04-10
In a previous companion paper, the authors presented the details of the algorithms for performing nonlocal density functional theory calculations in complex two- and three-dimensional geometries. The authors discussed scaling and parallelization, but did not discuss other issues of performance. In this paper, they detail the precision of the methods with respect to changes in the mesh spacing. This is a complex issue because given a Cartesian mesh, changes in mesh spacing will result in changes in surface geometry. The authors discuss these issues using a series of rigid solvated polymer models including square rod polymers, cylindrical polymers, and bead-chain polymers. In comparing the results of the various models, it becomes clear that surface curvature or roughness plays an important role in determining the strength of structural solvation forces between interacting solvated polymers. The results in this paper serve as benchmarks for future applications of these algorithms to complex fluid systems.
Roberts, C.B.; Zhang, J.; Chateauneuf, J.E.; Brennecke, J.F.
1995-06-21
The absolute reactivity of triplet benzophenone ({sup 3}BP) and benzyl free radical (PhCH{sub 2}) toward molecular oxygen (O{sub 2}) in supercritical CO{sub 2} and CHF{sub 3} has been measured by laser flash photolysis (LFP). The transient reactants may be considered to be infinitely dilute solutes reacting with a gaseous cosolvent in a supercritical fluid mixture. Both reactants were found to undergo kinetically controlled reactivity with O{sub 2} and the measured bimolecular rate constants (k{sub hi}) were found to decrease with a decrease in solvent density at reduced pressures between 1.0 and 2.5. These results are consistent with solute reactivity with a `nonattractive` cosolvent. The results are compared with those previously obtained for the reaction of {sup 3}BP with an `attractive` cosolvent, 1,4-cyclohexadiene, in supercritical CO{sub 2} and CHF{sub 3}, in which enhanced {sup 3}BP reactivity was observed due to preferential cosolvent/solute solvation. Integral equation theory has also been applied to model these ternary systems, and the results indicate how the strengths of local solvation forces can influence kinetically controlled reactions in supercritical fluids. 36 refs., 8 figs., 3 tabs.
Theory of the vortex-clustering transition in a confined two-dimensional quantum fluid
NASA Astrophysics Data System (ADS)
Yu, Xiaoquan; Billam, Thomas P.; Nian, Jun; Reeves, Matthew T.; Bradley, Ashton S.
2016-08-01
Clustering of like-sign vortices in a planar bounded domain is known to occur at negative temperature, a phenomenon that Onsager demonstrated to be a consequence of bounded phase space. In a confined superfluid, quantized vortices can support such an ordered phase, provided they evolve as an almost isolated subsystem containing sufficient energy. A detailed theoretical understanding of the statistical mechanics of such states thus requires a microcanonical approach. Here we develop an analytical theory of the vortex clustering transition in a neutral system of quantum vortices confined to a two-dimensional disk geometry, within the microcanonical ensemble. The choice of ensemble is essential for identifying the correct thermodynamic limit of the system, enabling a rigorous description of clustering in the language of critical phenomena. As the system energy increases above a critical value, the system develops global order via the emergence of a macroscopic dipole structure from the homogeneous phase of vortices, spontaneously breaking the Z2 symmetry associated with invariance under vortex circulation exchange, and the rotational SO (2 ) symmetry due to the disk geometry. The dipole structure emerges characterized by the continuous growth of the macroscopic dipole moment which serves as a global order parameter, resembling a continuous phase transition. The critical temperature of the transition, and the critical exponent associated with the dipole moment, are obtained exactly within mean-field theory. The clustering transition is shown to be distinct from the final state reached at high energy, known as supercondensation. The dipole moment develops via two macroscopic vortex clusters and the cluster locations are found analytically, both near the clustering transition and in the supercondensation limit. The microcanonical theory shows excellent agreement with Monte Carlo simulations, and signatures of the transition are apparent even for a modest system of 100
NASA Astrophysics Data System (ADS)
Garagash, D.
2012-12-01
We discuss recently developed solutions for steadily propagating self-healing slip pulses driven by thermal pressurization (TP) of pore fluid [Garagash, 2012] on a fault with a constant sliding friction. These pulses are characterized by initial stage of undrained weakening of the fault (when fluid/heat can not yet escape the frictionally heated shear zone), which gives way to partial restrengthening due to increasing hydrothermal diffusion under conditions of diminished rate of heating, leading to eventual locking of the slip. The rupture speed of these pulses is decreasing function of the thickness (h) of the principal shear zone. We find that "thick" shear zones, h >> hdyna, where hdyna = (μ/τ0) (ρc/fΛ)(4α/cs), can support aseismic TP pulses propagating at a fraction hdyna/h of the shear wave speed cs, while "thin" shear zones, h˜hdyna or thinner, can only harbor seismic slip. (Here μ - shear modulus, τ0 - the nominal fault strength, f - sliding friction, ρc - the heat capacity of the fault gouge, Λ - the fluid thermal pressurization factor, α - hydrothermal diffusivity parameter of the gouge). For plausible range of fault parameters, hdyna is between 10s to 100s of micrometers, suggesting that slow slip transients propagating at 1 to 10 km/day may occur in the form of a TP slip pulse accommodated by a meter-thick shear zone. We verify that this is, indeed, a possibility by contrasting the predictions for aseismic, small-slip TP pulses operating at seismologically-constrained, near-lithostatic pore pressure (effective normal stress ≈ 3 to 10 MPa) with the observations (slip duration at a given fault location ≈ week, propagation speed ≈ 15 km/day, and the inferred total slip ≈ 2 to 3 cm) for along-strike propagation of the North Cascadia slow slip events of '98-99 [Dragert et al., 2001, 2004]. Furthermore, we show that the effect of thermal pressurization on the strength of the subduction interface is comparable to or exceeds that of the rate
Renormalization Group Theory Technique and Subgrid Scale Closure for Fluid and Plasma Turbulence.
NASA Astrophysics Data System (ADS)
Zhou, Ye.
Renormalization group theory is applied to incompressible three-dimension Navier-Stokes turbulence so as to eliminate unresolvable small scales. The renormalized Navier-Stokes equation includes a triple nonlinearity with the eddy viscosity exhibiting a mild cusp behavior, in qualitative agreement with the test-field model results of Kraichnan. For the cusp behavior to arise, not only is the triple nonlinearity necessary but the effects of pressure must be incorporated in the triple term. Renormalization group theory is also applied to a model Alfven wave turbulence equation. In particular, the effect of small unresolvable subgrid scales on the large scales is computed. It is found that the removal of the subgrid scales leads to a renormalized response function. (i) This response function can be calculated analytically via the difference renormalization group technique. Strong absorption can occur around the Alfven frequency for sharply peaked subgrid frequency spectra. (ii) With the epsilon - expansion renormalization group approach, the Lorenzian wavenumber spectrum of Chen and Mahajan can be recovered for finite epsilon , but the nonlinear coupling constant still remains small, fully justifying the neglect of higher order nonlinearities introduced by the renormalization group procedure.
NASA Astrophysics Data System (ADS)
Schertzer, D.; Falgarone, E.
appropriate editorial structure, in particular a large number of editors covering a wide range of methodologies, expertises and schools. At least two of its sections (Scaling and Multifractals, Turbulence and Diffusion) were directly related to the topics of the workshop, in any case contributors were invited to choose their editor freely. 2 Goals of the Workshop The objective of this meeting was to enhance the confrontation between turbulence theories and empirical data from geophysics and astrophysics fluids with very high Reynolds numbers. The importance of these data seems to have often been underestimated for the evaluation of theories of fully developed turbulence, presumably due to the fact that turbulence does not appear as pure as in laboratory experiments. However, they have the great advantage of giving access not only to very high Reynolds numbers (e.g. 1012 for atmospheric data), but also to very large data sets. It was intended to: (i) provide an overview of the diversity of potentially available data, as well as the necessary theoretical and statistical developments for a better use of these data (e.g. treatment of anisotropy, role of processes which induce other nonlinearities such as thermal instability, effect of magnetic field and compressibility ... ), (ii) evaluate the means of discriminating between different theories (e.g. multifractal intermittency models) or to better appreciate the relevance of different notions (e.g. Self-Organized Criticality) or phenomenology (e.g. filaments, structures), (iii) emphasise the different obstacles, such as the ubiquity of catastrophic events, which could be overcome in the various concerned disciplines, thanks to theoretical advances achieved. 3 Outlines of the Workshop During the two days of the workshop, the series of presentations covered many manifestations of turbulence in geophysics, including: oceans, troposphere, stratosphere, very high atmosphere, solar wind, giant planets, interstellar clouds... up to the
Ely, J.F.
1995-02-01
In this report, we highlight the progress made and expected during the three-year period August 1, 1992 through July 31, 1995 on DOE Grant DE-FG02-92ER14294. Since the latter date is several months away, we include some discussion of work in progress and expected results, although we primarily concentrate on work that has been completed. The objectives of this research are four-fold: 1) Fundamental investigation of the equilibrium and nonequilibrium properties of asymmetric fluid mixtures through computer simulation; 2) Development of advanced, highly accurate predictive theories of mixture equilibrium properties; 3) Development and application of selection algorithm methodology and results from fundamental theory to the design of high accuracy mixture equations of state; 4) Application of new theoretical concepts and insights to the development of engineering design models. Significant progress is being been made in all of these areas as is described in the next two sections. In addition, publications, presentations and theses presenting the results of our ongoing DOE sponsored studies are in press or have appeared during the reporting period. These are summarized in the last section. 33 refs., 6 figs., 2 tabs.
Second-order fluid dynamics for the unitary Fermi gas from kinetic theory
NASA Astrophysics Data System (ADS)
Schäfer, Thomas
2014-10-01
We compute second-order transport coefficients of the dilute Fermi gas at unitarity. The calculation is based on kinetic theory and the Boltzmann equation at second order in the Knudsen expansion. The second-order transport coefficients describe the shear stress relaxation time, nonlinear terms in the strain-stress relation, and nonlinear couplings between vorticity and strain. An exact calculation in the dilute limit gives τR=η /P , where τR is the shear stress relaxation time, η is the shear viscosity, and P is pressure. This relation is identical to the result obtained using the Bhatnagar-Gross-Krook approximation to the collision term, but other transport coefficients are sensitive to the exact collision integral.
General model of phospholipid bilayers in fluid phase within the single chain mean field theory
Guo, Yachong; Baulin, Vladimir A.; Pogodin, Sergey
2014-05-07
Coarse-grained model for saturated phospholipids: 1,2-didecanoyl-sn-glycero-3-phosphocholine (DCPC), 1,2-dilauroyl-sn-glycero-3-phosphocholine (DLPC), 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC), 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC), 1,2-distearoyl-sn-glycero-3-phosphocholine (DSPC) and unsaturated phospholipids: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC), 1,2- dioleoyl-sn-glycero-3-phosphocholine (DOPC) is introduced within the single chain mean field theory. A single set of parameters adjusted for DMPC bilayers gives an adequate description of equilibrium and mechanical properties of a range of saturated lipid molecules that differ only in length of their hydrophobic tails and unsaturated (POPC, DOPC) phospholipids which have double bonds in the tails. A double bond is modeled with a fixed angle of 120°, while the rest of the parameters are kept the same as saturated lipids. The thickness of the bilayer and its hydrophobic core, the compressibility, and the equilibrium area per lipid correspond to experimentally measured values for each lipid, changing linearly with the length of the tail. The model for unsaturated phospholipids also fetches main thermodynamical properties of the bilayers. This model is used for an accurate estimation of the free energies of the compressed or stretched bilayers in stacks or multilayers and gives reasonable estimates for free energies. The proposed model may further be used for studies of mixtures of lipids, small molecule inclusions, interactions of bilayers with embedded proteins.
ERIC Educational Resources Information Center
Kvist, Ann Valentin; Gustafsson, Jan-Eric
2008-01-01
According to Cattell's [Cattell, R.B. (1987). "Intelligence: Its structure, growth and action." New York: North-Holland.] Investment theory individual differences in acquisition of knowledge and skills are partly the result of investment of Fluid Intelligence ("Gf") in learning situations demanding insights in complex relations. If this theory…
NASA Astrophysics Data System (ADS)
Schertzer, D.; Falgarone, E.
appropriate editorial structure, in particular a large number of editors covering a wide range of methodologies, expertises and schools. At least two of its sections (Scaling and Multifractals, Turbulence and Diffusion) were directly related to the topics of the workshop, in any case contributors were invited to choose their editor freely. 2 Goals of the Workshop The objective of this meeting was to enhance the confrontation between turbulence theories and empirical data from geophysics and astrophysics fluids with very high Reynolds numbers. The importance of these data seems to have often been underestimated for the evaluation of theories of fully developed turbulence, presumably due to the fact that turbulence does not appear as pure as in laboratory experiments. However, they have the great advantage of giving access not only to very high Reynolds numbers (e.g. 1012 for atmospheric data), but also to very large data sets. It was intended to: (i) provide an overview of the diversity of potentially available data, as well as the necessary theoretical and statistical developments for a better use of these data (e.g. treatment of anisotropy, role of processes which induce other nonlinearities such as thermal instability, effect of magnetic field and compressibility ... ), (ii) evaluate the means of discriminating between different theories (e.g. multifractal intermittency models) or to better appreciate the relevance of different notions (e.g. Self-Organized Criticality) or phenomenology (e.g. filaments, structures), (iii) emphasise the different obstacles, such as the ubiquity of catastrophic events, which could be overcome in the various concerned disciplines, thanks to theoretical advances achieved. 3 Outlines of the Workshop During the two days of the workshop, the series of presentations covered many manifestations of turbulence in geophysics, including: oceans, troposphere, stratosphere, very high atmosphere, solar wind, giant planets, interstellar clouds... up to the
NASA Astrophysics Data System (ADS)
Yang, Kang; Guo, Zhaoli
2016-04-01
In this paper, a lattice Boltzmann equation (LBE) model is proposed for binary fluids based on a quasi-incompressible phase-field model [J. Shen et al., Commun. Comput. Phys. 13, 1045 (2013), 10.4208/cicp.300711.160212a]. Compared with the other incompressible LBE models based on the incompressible phase-field theory, the quasi-incompressible model conserves mass locally. A series of numerical simulations are performed to validate the proposed model, and comparisons with an incompressible LBE model [H. Liang et al., Phys. Rev. E 89, 053320 (2014), 10.1103/PhysRevE.89.053320] are also carried out. It is shown that the proposed model can track the interface accurately. As the stationary droplet and rising bubble problems, the quasi-incompressible LBE gives nearly the same predictions as the incompressible model, but the compressible effect in the present model plays a significant role in the phase separation problem. Therefore, in general cases the present mass-conserving model should be adopted.
NASA Astrophysics Data System (ADS)
Amabili, M.
2003-05-01
The large-amplitude response of perfect and imperfect, simply supported circular cylindrical shells to harmonic excitation in the spectral neighbourhood of some of the lowest natural frequencies is investigated. Donnell's non-linear shallow-shell theory is used and the solution is obtained by the Galerkin method. Several expansions involving 16 or more natural modes of the shell are used. The boundary conditions on the radial displacement and the continuity of circumferential displacement are exactly satisfied. The effect of internal quiescent, incompressible and inviscid fluid is investigated. The non-linear equations of motion are studied by using a code based on the arclength continuation method. A series of accurate experiments on forced vibrations of an empty and water-filled stainless-steel shell have been performed. Several modes have been intensively investigated for different vibration amplitudes. A closed loop control of the force excitation has been used. The actual geometry of the test shell has been measured and the geometric imperfections have been introduced in the theoretical model. Several interesting non-linear phenomena have been experimentally observed and numerically reproduced, such as softening-type non-linearity, different types of travelling wave response in the proximity of resonances, interaction among modes with different numbers of circumferential waves and amplitude-modulated response. For all the modes investigated, the theoretical and experimental results are in strong agreement.
Thermophysical Properties of Fluids and Fluid Mixtures
Sengers, Jan V.; Anisimov, Mikhail A.
2004-05-03
The major goal of the project was to study the effect of critical fluctuations on the thermophysical properties and phase behavior of fluids and fluid mixtures. Long-range fluctuations appear because of the presence of critical phase transitions. A global theory of critical fluctuations was developed and applied to represent thermodynamic properties and transport properties of molecular fluids and fluid mixtures. In the second phase of the project, the theory was extended to deal with critical fluctuations in complex fluids such as polymer solutions and electrolyte solutions. The theoretical predictions have been confirmed by computer simulations and by light-scattering experiments. Fluctuations in fluids in nonequilibrium states have also been investigated.
NASA Astrophysics Data System (ADS)
Lymperiadis, Alexandros; Adjiman, Claire S.; Galindo, Amparo; Jackson, George
2007-12-01
A predictive group-contribution statistical associating fluid theory (SAFT-γ) is developed by extending the molecular-based SAFT-VR equation of state [A. Gil-Villegas et al. J. Chem. Phys. 106, 4168 (1997)] to treat heteronuclear molecules which are formed from fused segments of different types. Our models are thus a heteronuclear generalization of the standard models used within SAFT, comparable to the optimized potentials for the liquid state OPLS models commonly used in molecular simulation; an advantage of our SAFT-γ over simulation is that an algebraic description for the thermodynamic properties of the model molecules can be developed. In our SAFT-γ approach, each functional group in the molecule is modeled as a united-atom spherical (square-well) segment. The different groups are thus characterized by size (diameter), energy (well depth) and range parameters representing the dispersive interaction, and by shape factor parameters (which denote the extent to which each group contributes to the overall molecular properties). For associating groups a number of bonding sites are included on the segment: in this case the site types, the number of sites of each type, and the appropriate association energy and range parameters also have to be specified. A number of chemical families (n-alkanes, branched alkanes, n-alkylbenzenes, mono- and diunsaturated hydrocarbons, and n-alkan-1-ols) are treated in order to assess the quality of the SAFT-γ description of the vapor-liquid equilibria and to estimate the parameters of various functional groups. The group parameters for the functional groups present in these compounds (CH3, CH2, CH3CH, ACH, ACCH2, CH2, CH , and OH) together with the unlike energy parameters between groups of different types are obtained from an optimal description of the pure component phase equilibria. The approach is found to describe accurately the vapor-liquid equilibria with an overall %AAD of 3.60% for the vapor pressure and 0.86% for
Eisenberg, Bob; Hyon, YunKyong; Liu, Chun
2010-01-01
Ionic solutions are mixtures of interacting anions and cations. They hardly resemble dilute gases of uncharged noninteracting point particles described in elementary textbooks. Biological and electrochemical solutions have many components that interact strongly as they flow in concentrated environments near electrodes, ion channels, or active sites of enzymes. Interactions in concentrated environments help determine the characteristic properties of electrodes, enzymes, and ion channels. Flows are driven by a combination of electrical and chemical potentials that depend on the charges, concentrations, and sizes of all ions, not just the same type of ion. We use a variational method EnVarA (energy variational analysis) that combines Hamilton’s least action and Rayleigh’s dissipation principles to create a variational field theory that includes flow, friction, and complex structure with physical boundary conditions. EnVarA optimizes both the action integral functional of classical mechanics and the dissipation functional. These functionals can include entropy and dissipation as well as potential energy. The stationary point of the action is determined with respect to the trajectory of particles. The stationary point of the dissipation is determined with respect to rate functions (such as velocity). Both variations are written in one Eulerian (laboratory) framework. In variational analysis, an “extra layer” of mathematics is used to derive partial differential equations. Energies and dissipations of different components are combined in EnVarA and Euler–Lagrange equations are then derived. These partial differential equations are the unique consequence of the contributions of individual components. The form and parameters of the partial differential equations are determined by algebra without additional physical content or assumptions. The partial differential equations of mixtures automatically combine physical properties of individual (unmixed) components
Eisenberg, Bob; Hyon, Yunkyong; Liu, Chun
2010-09-14
Ionic solutions are mixtures of interacting anions and cations. They hardly resemble dilute gases of uncharged noninteracting point particles described in elementary textbooks. Biological and electrochemical solutions have many components that interact strongly as they flow in concentrated environments near electrodes, ion channels, or active sites of enzymes. Interactions in concentrated environments help determine the characteristic properties of electrodes, enzymes, and ion channels. Flows are driven by a combination of electrical and chemical potentials that depend on the charges, concentrations, and sizes of all ions, not just the same type of ion. We use a variational method EnVarA (energy variational analysis) that combines Hamilton's least action and Rayleigh's dissipation principles to create a variational field theory that includes flow, friction, and complex structure with physical boundary conditions. EnVarA optimizes both the action integral functional of classical mechanics and the dissipation functional. These functionals can include entropy and dissipation as well as potential energy. The stationary point of the action is determined with respect to the trajectory of particles. The stationary point of the dissipation is determined with respect to rate functions (such as velocity). Both variations are written in one Eulerian (laboratory) framework. In variational analysis, an "extra layer" of mathematics is used to derive partial differential equations. Energies and dissipations of different components are combined in EnVarA and Euler-Lagrange equations are then derived. These partial differential equations are the unique consequence of the contributions of individual components. The form and parameters of the partial differential equations are determined by algebra without additional physical content or assumptions. The partial differential equations of mixtures automatically combine physical properties of individual (unmixed) components. If a new
NASA Astrophysics Data System (ADS)
Munera, Hector A.
2015-08-01
The formal analogy between electromagnetism (EM) and gravitation was noted by Maxwell and Faraday, and later on by Heaviside in the 1890s; the analogy was extensively used in the gravito-magnetism of the 20th century. The connection between EM and fluid theory is explicit in Maxwell’s work, and the equivalence of Maxwell equations (ME) to various wave equations is explained in electrodynamics textbooks (say, Jackson’s) additionally, a little-known paper presented by Henri Malet to the Paris Academy of Sciences (1926), demonstrated that the validity of ME concurrently requires the validity of the vector and the scalar homogeneous wave equations.In the 1990s the present author reported in Foundations of Physics Letters the existence of novel solutions for the homogeneous wave equation in spherical coordinates; it turns out that one class of our solutions (the nonharmonic functions of the first-kind, NHFFK) is equivalent to the unified force of nature proposed around 1760 by Boscovich from philosophical considerations, but without a formal mathematical basis. Our finding is significant because it lends a mathematical foundation to Boscovich’s force, which has extremely interesting properties, as quantization in energy and distance —noted by J. J. Thomson before Bohr’s quantum theory.Associated with spherical surfaces in gravitational equilibrium, the family of even NHFFKs described here predict Titius-Body structures at different scales, as the solar system and the moons of Mars, Jupiter, Uranus, Saturn, and Neptune. Each calculated radius is compared to an average distance of moons/planets: the correlation and the R2 coefficients are quite high. The same NHFFK also predict the existence of ring structures, as those observed in Saturn, and in asteroids belts in our solar system. Newtonian gravity appears as the limit at very large distances from the center of force. The family of odd NHFFK exhibits a non-zero limit as distance tends to infinity, feature that
Butler, William E; Atai, Nadia; Carter, Bob; Hochberg, Fred
2014-01-01
The Richard Floor Biorepository supports collaborative studies of extracellular vesicles (EVs) found in human fluids and tissue specimens. The current emphasis is on biomarkers for central nervous system neoplasms but its structure may serve as a template for collaborative EV translational studies in other fields. The informatic system provides specimen inventory tracking with bar codes assigned to specimens and containers and projects, is hosted on globalized cloud computing resources, and embeds a suite of shared documents, calendars, and video-conferencing features. Clinical data are recorded in relation to molecular EV attributes and may be tagged with terms drawn from a network of externally maintained ontologies thus offering expansion of the system as the field matures. We fashioned the graphical user interface (GUI) around a web-based data visualization package. This system is now in an early stage of deployment, mainly focused on specimen tracking and clinical, laboratory, and imaging data capture in support of studies to optimize detection and analysis of brain tumour-specific mutations. It currently includes 4,392 specimens drawn from 611 subjects, the majority with brain tumours. As EV science evolves, we plan biorepository changes which may reflect multi-institutional collaborations, proteomic interfaces, additional biofluids, changes in operating procedures and kits for specimen handling, novel procedures for detection of tumour-specific EVs, and for RNA extraction and changes in the taxonomy of EVs. We have used an ontology-driven data model and web-based architecture with a graph theory-driven GUI to accommodate and stimulate the semantic web of EV science. PMID:25317275
NASA Technical Reports Server (NTRS)
Krzywoblocki, M. Z. V.
1974-01-01
The application of the elements of quantum (wave) mechanics to some special problems in the field of macroscopic fluid dynamics is discussed. Emphasis is placed on the flow of a viscous, incompressible fluid around a circular cylinder. The following subjects are considered: (1) the flow of a nonviscous fluid around a circular cylinder, (2) the restrictions imposed the stream function by the number of dimensions of space, and (3) the flow past three dimensional bodies in a viscous fluid, particularly past a circular cylinder in the symmetrical case.
Marshall, Bennett D. Haghmoradi, Amin; Chapman, Walter G.
2014-04-28
In this paper we develop a thermodynamic perturbation theory for two site associating fluids which exhibit bond cooperativity (system energy is non-pairwise additive). We include both steric hindrance and ring formation such that the equation of state is bond angle dependent. Here, the bond angle is the angle separating the centers of the two association sites. As a test, new Monte Carlo simulations are performed, and the theory is found to accurately predict the internal energy as well as the distribution of associated clusters as a function of bond angle.
NASA Technical Reports Server (NTRS)
Martin, E. Dale
1989-01-01
The paper introduces a new theory of N-dimensional complex variables and analytic functions which, for N greater than 2, is both a direct generalization and a close analog of the theory of ordinary complex variables. The algebra in the present theory is a commutative ring, not a field. Functions of a three-dimensional variable were defined and the definition of the derivative then led to analytic functions.
Liu, Chang; Dodin, Ilya Y.
2015-08-15
The nonlinear frequency shift is derived in a transparent asymptotic form for intense Langmuir waves in general collisionless plasma. The formula describes both fluid and kinetic effects simultaneously. The fluid nonlinearity is expressed, for the first time, through the plasma dielectric function, and the kinetic nonlinearity accounts for both smooth distributions and trapped-particle beams. Various known limiting scalings are reproduced as special cases. The calculation avoids differential equations and can be extended straightforwardly to other nonlinear plasma waves.
NASA Astrophysics Data System (ADS)
Jamali, Safa; Boromand, Arman; Khani, Shaghayegh; Wagner, Jacob; Yamanoi, Mikio; Maia, Joao
2015-04-01
In this work, a generalized relation between the fluid compressibility, the Flory-Huggins interaction parameter (χ), and the simulation parameters in multi-body dissipative particle dynamics (MDPD) is established. This required revisiting the MDPD equation of state previously reported in the literature and developing general relationships between the parameters used in the MDPD model. We derive a relationship to the Flory-Huggins χ parameter for incompressible fluids similar to the work previously done in dissipative particle dynamics by Groot and Warren. The accuracy of this relationship is evaluated using phase separation in small molecules and the solubility of polymers in dilute solvent solutions via monitoring the scaling of the radius of gyration (Rg) for different solvent qualities. Finally, the dynamics of the MDPD fluid is studied with respect to the diffusion coefficient and the zero shear viscosity.
NASA Technical Reports Server (NTRS)
Hardin, G. R.; Sani, R. L.; Henry, D.; Roux, B.
1990-01-01
The buoyancy-driven instability of a monocomponent or binary fluid completely contained in a vertical circular cylinder is investigated, including the influence of the Soret effect for the binary mixture. The Boussinesq approximation is used, and the resulting linear stability problem is solved using a Galerkin technique. The analysis considers fluid mixtures ranging from gases to liquid metals. The flow structure is found to depend strongly on both the cylinder aspect ratio and the magnitude of the Soret effect. The predicted stability limits are shown to agree closely with experimental observations.
... up in the body. This is called fluid overload (volume overload). This can lead to edema (excess fluid in ... Water imbalance; Fluid imbalance - dehydration; Fluid buildup; Fluid overload; Volume overload; Loss of fluids; Edema - fluid imbalance; ...
Krommes, J.A.
1985-11-01
The author critiques the model of tokamak edge turbulence by P.W. Terry and P.H. Diamond (Phys. Fluids 28, 1419, 1985). The critique includes a discussion of the physical basis, consistency and quantitative accuracy of the Terry-Diamond model. 19 refs. (WRF)
Diemer, K.L.
1992-01-01
Lattice gas automata models for hydrodynamics offer a method for simulating fluids in between the standard molecular dynamic models and finite difference schemes. The algorithm is especially suited to low Mach number flow around complex boundaries and can be implemented in a fully parallelizable, memory efficient manner using only boolean operations. The simplest lattice gas automata is reviewed. The modification of the standard Chapmann-Enskog expansion lattice gas case is reviewed. In the long wavelength and long time limit, the incompressible Navier-Stokes equation is derived. Analytic calculations of shear viscosity [eta], mean free path [lambda], and a reduced Reynolds number R are presented for a number of 2D and 3D lattice gas models. Comparisons of lattice gas results with analytical predictions and other numerical methods are reviewed. This is followed by a discussion of the zero velocity limit used in deriving the above analytic results. Lattice gas hydrodynamic models for flows through porous media in two and three dimensions are described. The computational method easily handles arbitrary boundaries and a large range of Reynolds numbers. Darcy's law is confirmed for Poiseuille flow and for complicated boundary flows. Lattice gas simulation results for permeability for one geometry are compared with experimental results and found to agree to within 10%. Lattice gas hydrodynamic models for two dimensional binary fluids are described. The scaling of the correlation function during late stage growth is examined. The domain growth kinetics during this period is also explored and compared with the work of Furukawa. A local lattice gas model for binary fluids with an adjustable parameter [lambda] which allows degree of miscibility is introduced. For [lambda] < [lambda][sub c] the fluids are immiscible while for [lambda] > [lambda][sub c] the fluids are miscible. Theoretical and numerical studies on the diffusive properties of this lattice gas are presented.
Cattes, Stefanie M; Gubbins, Keith E; Schoen, Martin
2016-05-21
In this work, we employ classical density functional theory (DFT) to investigate for the first time equilibrium properties of a Heisenberg fluid confined to nanoscopic slit pores of variable width. Within DFT pair correlations are treated at modified mean-field level. We consider three types of walls: hard ones, where the fluid-wall potential becomes infinite upon molecular contact but vanishes otherwise, and hard walls with superimposed short-range attraction with and without explicit orientation dependence. To model the distance dependence of the attractions, we employ a Yukawa potential. The orientation dependence is realized through anchoring of molecules at the substrates, i.e., an energetic discrimination of specific molecular orientations. If the walls are hard or attractive without specific anchoring, the results are "quasi-bulk"-like in that they can be linked to a confinement-induced reduction of the bulk mean field. In these cases, the precise nature of the walls is completely irrelevant at coexistence. Only for specific anchoring nontrivial features arise, because then the fluid-wall interaction potential affects the orientation distribution function in a nontrivial way and thus appears explicitly in the Euler-Lagrange equations to be solved for minima of the grand potential of coexisting phases. PMID:27208962
NASA Technical Reports Server (NTRS)
Hesse, Michael; Birn, Joachim; Schindler, Karl
1990-01-01
A self-consistent two-fluid theory that includes the magnetic field and shear patterns is developed to model stationary electrostatic structures with field-aligned potential drops. Shear flow is also included in the theory since this seems to be a prominent feature of the structures of interest. In addition, Ohmic dissipation, a Hall term, and pressure gradients in a generalized Ohm's law, modified for cases without quasi-neutrality, are included. In the analytic theory, the electrostatic force is balanced by field-aligned pressure gradients (i.e., thermal effects in the direction of the magnetic field) and by pressure gradients and magnetic stresses in the perpendicular direction. Within this theory, simple examples of applications are presented to demonstrate the kind of solutions resulting from the model. The results show how the effects of charge separation and shear in the magnetic field and the velocity can be combined to form self-consistent structures such as are found to exist above the aurora, suggested also in association with solar flares.
NASA Astrophysics Data System (ADS)
Runchal, A. K.; Sagar, B.; Baca, R. G.; Kline, N. W.
1985-09-01
Postclosure performance assessment of the proposed high-level nuclear waste repository in flood basalts at Hanford requires that the processes of fluid flow, heat transfer, and mass transport be numerically modeled at appropriate space and time scales. A suite of computer models has been developed to meet this objective. The theory of one of these models, named PORFLO, is described in this report. Also presented are a discussion of the numerical techniques in the PORFLO computer code and a few computational test cases. Three two-dimensional equations, one each for fluid flow, heat transfer, and mass transport, are numerically solved in PORFLO. The governing equations are derived from the principle of conservation of mass, momentum, and energy in a stationary control volume that is assumed to contain a heterogeneous, anisotropic porous medium. Broad discrete features can be accommodated by specifying zones with distinct properties, or these can be included by defining an equivalent porous medium. The governing equations are parabolic differential equations that are coupled through time-varying parameters. Computational tests of the model are done by comparisons of simulation results with analytic solutions, with results from other independently developed numerical models, and with available laboratory and/or field data. In this report, in addition to the theory of the model, results from three test cases are discussed. A users' manual for the computer code resulting from this model has been prepared and is available as a separate document.
NASA Astrophysics Data System (ADS)
Ebato, Yuki; Miyata, Tatsuhiko
2016-05-01
Ornstein-Zernike (OZ) integral equation theory is known to overestimate the excess internal energy, Uex, pressure through the virial route, Pv, and excess chemical potential, μex, for one-component Lennard-Jones (LJ) fluids under hypernetted chain (HNC) and Kovalenko-Hirata (KH) approximatons. As one of the bridge correction methods to improve the precision of these thermodynamic quantities, it was shown in our previous paper that the method to apparently adjust σ parameter in the LJ potential is effective [T. Miyata and Y. Ebato, J. Molec. Liquids. 217, 75 (2016)]. In our previous paper, we evaluated the actual variation in the σ parameter by using a fitting procedure to molecular dynamics (MD) results. In this article, we propose an alternative method to determine the actual variation in the σ parameter. The proposed method utilizes a condition that the virial and compressibility pressures coincide with each other. This method can correct OZ theory without a fitting procedure to MD results, and possesses characteristics of keeping a form of HNC and/or KH closure. We calculate the radial distribution function, pressure, excess internal energy, and excess chemical potential for one-component LJ fluids to check the performance of our proposed bridge function. We discuss the precision of these thermodynamic quantities by comparing with MD results. In addition, we also calculate a corrected gas-liquid coexistence curve based on a corrected KH-type closure and compare it with MD results.
NASA Technical Reports Server (NTRS)
Tzvi, G. C.
1986-01-01
A technique to deduce the virtual temperature from the combined use of the equations of fluid dynamics, observed wind and observed radiances is described. The wind information could come from ground-based sensitivity very high frequency (VHF) Doppler radars and/or from space-borne Doppler lidars. The radiometers are also assumed to be either space-borne and/or ground-based. From traditional radiometric techniques the vertical structure of the temperature can be estimated only crudely. While it has been known for quite some time that the virtual temperature could be deduced from wind information only, such techniques had to assume the infallibility of certain diagnostic relations. The proposed technique is an extension of the Gal-Chen technique. It is assumed that due to modeling uncertainties the equations of fluid dynamics are satisfied only in the least square sense. The retrieved temperature, however, is constrained to reproduce the observed radiances. It is shown that the combined use of the three sources of information (wind, radiances and fluid dynamical equations) can result in a unique determination of the vertical temperature structure with spatial and temporal resolution comparable to that of the observed wind.
NASA Astrophysics Data System (ADS)
Sulak, M.; Dolejs, D.
2012-04-01
Magmatic activity and prograde devolatilization of subducting or underplating lithologies release large quantities of aqueous fluids that act as mass and heat transfer agents in the planetary interiors. Understanding of mineral-melt-fluid interactions is essential for evaluating the effects of fluid-mediated mass transport in subduction zones, collisional orogens as well as in igneous provinces. The thermodynamic properties of aqueous species were frequently described by the Helgeson-Kirkham-Flowers equation of state [1] but its utility is limited by inavailability of the solvent dielectric properties at high pressures and temperatures, and by decoupling of species-solvent mechanical and electrostatic interactions that cannot be separated within the Born theory. Systematic description of the hydration process in a Born-Haber cycle leads to the following thermochemical contributions: (i) thermodynamic properties of an unhydrated species, (ii) the pressure-volume work required to create a cavity within the solvent to accommodate the species, described by the scaled particle theory, (iii) entropic contribution related to changes in the solute's and the solvent's kinetic degrees of freedom, and (iv) contribution from the solute-solvent molecular interactions and corresponding rearrangement of the solvent molecules to form the hydration shell. Application of the spatial correlation functions [2, 3] results in apparent Gibbs energy of aqueous species, ΔaGi = a + bT + cTlnT + dP + eTlnρ + fTρlnρ, where athrough f represent constants related to standard thermodynamic properties of aqueous species (ΔfH, S, V, cP) and to solvent volumetric properties at 298.15 K and 1 bar (ρ, α, β etc.). In phase equilibrium calculations, the number of required parameters often reduces to four (c = f = 0) while noting that H2O density as the only solvent-related property is accurately known to extreme temperatures and pressures. The equation of state parameters were calibrated for 30
NASA Astrophysics Data System (ADS)
Kolaei, Amir; Rakheja, Subhash; Richard, Marc J.
2014-01-01
An analytical model is developed to study the transient lateral sloshing in horizontal cylindrical containers assuming inviscid, incompressible and irrotational flows. The model is derived by implementing the linearized free-surface boundary condition and bipolar coordinate transformation, resulting in a truncated system of linear ordinary differential equations, which is numerically solved to determine the fluid velocity potentials followed by the hydrodynamic forces and moment. The model results are compared with those obtained from the multimodal solution. The free-surface elevation and hydrodynamic coefficients are also compared with the reported experimental and analytical data as well as numerical simulations to establish validity of the model. The capability of the model for predicting non-resonant slosh is also evaluated using the critical free-surface amplitude. The model validity is further illustrated by comparing the transient liquid slosh responses of a partially filled tank subject to steady lateral acceleration characterizing a vehicle turning maneuver with those obtained from fully nonlinear CFD simulations and pendulum models. It is shown that the linear slosh model yields more accurate prediction of dynamic slosh than the pendulum models and it is significantly more computationally efficient than the nonlinear CFD model. The slosh model is subsequently applied to roll plane model of a suspended tank vehicle to study the effect of dynamic liquid slosh on steady-turning roll stability limit of the vehicle under constant and variable axle load conditions. The results suggest that the roll moment arising from the dynamic fluid slosh yields considerably lower roll stability limit of the partly-filled tank vehicle compared to that predicted from the widely reported quasi-static fluid slosh model.
NASA Astrophysics Data System (ADS)
Cal, Filipe S.; Dias, Gonçalo A. S.; Nazarov, Serguei A.; Videman, Juha H.
2015-04-01
We derive a linear system of equations governing the interaction of water waves with partially or totally submerged freely floating structures in a two-layer fluid. We establish conditions for the stability of equilibrium and, by considering time-harmonic motions, rewrite the problem as a spectral boundary-value problem consisting of a differential equation and an algebraic system, coupled through boundary conditions. We give also a suitable variational formulation for the problem and provide examples of configurations where the problem admits only the trivial solution.
Dahms, Rainer N.
2014-12-31
The fidelity of Gradient Theory simulations depends on the accuracy of saturation properties and influence parameters, and require equations of state (EoS) which exhibit a fundamentally consistent behavior in the two-phase regime. Widely applied multi-parameter EoS, however, are generally invalid inside this region. Hence, they may not be fully suitable for application in concert with Gradient Theory despite their ability to accurately predict saturation properties. The commonly assumed temperature-dependence of pure component influence parameters usually restricts their validity to subcritical temperature regimes. This may distort predictions for general multi-component interfaces where temperatures often exceed the critical temperature of vapor phase components. Then, the calculation of influence parameters is not well defined. In this paper, one of the first studies is presented in which Gradient Theory is combined with a next-generation Helmholtz energy EoS which facilitates fundamentally consistent calculations over the entire two-phase regime. Illustrated on pentafluoroethane as an example, reference simulations using this method are performed. They demonstrate the significance of such high-accuracy and fundamentally consistent calculations for the computation of interfacial properties. These reference simulations are compared to corresponding results from cubic PR EoS, widely-applied in combination with Gradient Theory, and mBWR EoS. The analysis reveals that neither of those two methods succeeds to consistently capture the qualitative distribution of obtained key thermodynamic properties in Gradient Theory. Furthermore, a generalized expression of the pure component influence parameter is presented. This development is informed by its fundamental definition based on the direct correlation function of the homogeneous fluid and by presented high-fidelity simulations of interfacial density profiles. As a result, the new model preserves the accuracy of previous
Dahms, Rainer N.
2014-12-31
The fidelity of Gradient Theory simulations depends on the accuracy of saturation properties and influence parameters, and require equations of state (EoS) which exhibit a fundamentally consistent behavior in the two-phase regime. Widely applied multi-parameter EoS, however, are generally invalid inside this region. Hence, they may not be fully suitable for application in concert with Gradient Theory despite their ability to accurately predict saturation properties. The commonly assumed temperature-dependence of pure component influence parameters usually restricts their validity to subcritical temperature regimes. This may distort predictions for general multi-component interfaces where temperatures often exceed the critical temperature of vapor phasemore » components. Then, the calculation of influence parameters is not well defined. In this paper, one of the first studies is presented in which Gradient Theory is combined with a next-generation Helmholtz energy EoS which facilitates fundamentally consistent calculations over the entire two-phase regime. Illustrated on pentafluoroethane as an example, reference simulations using this method are performed. They demonstrate the significance of such high-accuracy and fundamentally consistent calculations for the computation of interfacial properties. These reference simulations are compared to corresponding results from cubic PR EoS, widely-applied in combination with Gradient Theory, and mBWR EoS. The analysis reveals that neither of those two methods succeeds to consistently capture the qualitative distribution of obtained key thermodynamic properties in Gradient Theory. Furthermore, a generalized expression of the pure component influence parameter is presented. This development is informed by its fundamental definition based on the direct correlation function of the homogeneous fluid and by presented high-fidelity simulations of interfacial density profiles. As a result, the new model preserves the accuracy of
NASA Technical Reports Server (NTRS)
Borgia, Andrea; Spera, Frank J.
1990-01-01
This work discusses the propagation of errors for the recovery of the shear rate from wide-gap concentric cylinder viscometric measurements of non-Newtonian fluids. A least-square regression of stress on angular velocity data to a system of arbitrary functions is used to propagate the errors for the series solution to the viscometric flow developed by Krieger and Elrod (1953) and Pawlowski (1953) ('power-law' approximation) and for the first term of the series developed by Krieger (1968). A numerical experiment shows that, for measurements affected by significant errors, the first term of the Krieger-Elrod-Pawlowski series ('infinite radius' approximation) and the power-law approximation may recover the shear rate with equal accuracy as the full Krieger-Elrod-Pawlowski solution. An experiment on a clay slurry indicates that the clay has a larger yield stress at rest than during shearing, and that, for the range of shear rates investigated, a four-parameter constitutive equation approximates reasonably well its rheology. The error analysis presented is useful for studying the rheology of fluids such as particle suspensions, slurries, foams, and magma.
NASA Technical Reports Server (NTRS)
Baskharone, E. A.; Hensel, S. J.
1991-01-01
The vibrational characteristics of a rotor that is in contact with a fluid in an annular clearance gap are investigated. The disturbance under consideration involves the axis of rotation, and includes a virtual lateral eccentricity, together with a whirling motion around the housing centerline. The fluid reaction components arise from infinitesimally small deformations with varied magnitudes which are experienced by an assembly of finite elements in the rotor-to-housing gap. A perturbation model is presented in which the perturbation equations emerge from the flow-governing equations in their discrete finite-element form. It is concluded that restrictions on the rotor-to-housing gap geometry, or the manner in which the rotor virtual eccentricity occurs are practically nonexisting. This model is used to compute the rotordynamic coefficients of an annular seal. The rotordynamic behavior of a hydraulic seal with a clearance gap depth/length ratio of 0.01 is analyzed under a cylindrical type of rotor whirl and several running speeds.
NASA Technical Reports Server (NTRS)
Ferrari, C
1936-01-01
The report studies the problem of the transport of vorticity or of momentum in light of the Taylor and Prandtl theories which are briefly reviewed. It also show how the formulas of Prandtl could be brought into agreement with experimental results in those cases where they agree with the principle of statistic similitude of Karman, and particularly in the problem of the distribution of velocity and temperature in the wake of a heated cylindrical obstacle.
NASA Technical Reports Server (NTRS)
Hicks, Bruce L; Montgomery, Donald; Wasserman, Robert H
1947-01-01
Steady, diabatic (nonadiabatic), frictional, variable-area flow of a compressible fluid is treated in differential form on the basis of the one-dimensional approximation. The basic equations are first stated in terms of pressure, temperature, density, and velocity of the fluid. Considerable simplification and unification of the equations are then achieved by choosing the square of the local Mach number as one of the variables to describe the flow. The transformed system of equations thus obtained is first examined with regard to the existence of a solution. It is shown that, in general, a solution exists whose calculation requires knowledge only of the variation with position of any three of the dependent variables of the system. The direction of change of the flow variables can be obtained directly from the transformed equations without integration. As examples of this application of the equations, the direction of change of the flow variables is determined for two special flows. In the particular case when the local Mach number m = 1, a special condition must be satisfied by the flow if a solution is to exist. This condition restricts the joint rate of variation of heating, friction, and area at m = 1. Further analysis indicates that when a solution exists at this point it is not necessarily unique. Finally it is shown that the physical phenomenon of choking, which is known to occur in certain simple flow situations, is related to restrictions imposed on the variables by the form of the transformed equations. The phenomenon of choking is thus given a more general significance in that the transformed equations apply to a more general type of flow than has hitherto been treated. (author)
NASA Astrophysics Data System (ADS)
Gray, William G.; Miller, Cass T.
2009-05-01
This work is the fifth in a series of papers on the thermodynamically constrained averaging theory (TCAT) approach for modeling flow and transport phenomena in multiscale porous medium systems. The general TCAT framework and the mathematical foundation presented in previous works are used to develop models that describe species transport and single-fluid-phase flow through a porous medium system in varying physical regimes. Classical irreversible thermodynamics formulations for species in fluids, solids, and interfaces are developed. Two different approaches are presented, one that makes use of a momentum equation for each entity along with constitutive relations for species diffusion and dispersion, and a second approach that makes use of a momentum equation for each species in an entity. The alternative models are developed by relying upon different approaches to constrain an entropy inequality using mass, momentum, and energy conservation equations. The resultant constrained entropy inequality is simplified and used to guide the development of closed models. Specific instances of dilute and non-dilute systems are examined and compared to alternative formulation approaches.
NASA Technical Reports Server (NTRS)
Chung, P. M.
1976-01-01
The solution of the two nonequilibrium-degree kinetic equation was first determined for the effective length scale and turbulence energy for a spatially homogeneous turbulence field with two characteristic length scales, where the source for one family of eddies exists. This solution was applied to the evaluation of the eddy diffusivity in the combustion chamber of an internal combustion engine. The result was compared with another existing solution. This was carried out to demonstrate the feasibility of obtaining an effective length-scale equation within the context of the kinetic theory. A formulation and partial solution of the compressible plane shear layer are also presented.
NASA Astrophysics Data System (ADS)
Gray, William G.; Miller, Cass T.
2006-11-01
This work is the third in a series of papers on the thermodynamically constrained averaging theory (TCAT) approach to modeling flow and transport phenomena in multiscale porous medium systems. Building upon the general TCAT framework and the mathematical foundation presented in previous works in this series, we demonstrate the TCAT approach for the case of single-fluid-phase flow. The formulated model is based upon conservation equations for mass, momentum, and energy and a general entropy inequality constraint, which is developed to guide model closure. A specific example of a closed model is derived under limiting assumptions using a linearization approach and these results are compared and contrasted with the traditional single-phase-flow model. Potential extensions to this work are discussed. Specific advancements in this work beyond previous averaging theory approaches to single-phase flow include use of macroscale thermodynamics that is averaged from the microscale, the use of derived equilibrium conditions to guide a flux-force pair approach to simplification, use of a general Lagrange multiplier approach to connect conservation equation constraints to the entropy inequality, and a focus on producing complete, closed models that are solvable.
Mukhopadhyay, Sumit; Tsang, Yvonne W.
2008-08-01
Flowing fluid temperature logging (FFTL) has been recently proposed as a method to locate flowing fractures. We argue that FFTL, backed up by data from high-precision distributed temperature sensors, can be a useful tool in locating flowing fractures and in estimating the transport properties of unsaturated fractured rocks. We have developed the theoretical background needed to analyze data from FFTL. In this paper, we present a simplified conceptualization of FFTL in unsaturated fractured rock, and develop a semianalytical solution for spatial and temporal variations of pressure and temperature inside a borehole in response to an applied perturbation (pumping of air from the borehole). We compare the semi-analytical solution with predictions from the TOUGH2 numerical simulator. Based on the semi-analytical solution, we propose a method to estimate the permeability of the fracture continuum surrounding the borehole. Using this proposed method, we estimated the effective fracture continuum permeability of the unsaturated rock hosting the Drift Scale Test (DST) at Yucca Mountain, Nevada. Our estimate compares well with previous independent estimates for fracture permeability of the DST host rock. The conceptual model of FFTL presented in this paper is based on the assumptions of single-phase flow, convection-only heat transfer, and negligible change in system state of the rock formation. In a sequel paper [Mukhopadhyay et al., 2008], we extend the conceptual model to evaluate some of these assumptions. We also perform inverse modeling of FFTL data to estimate, in addition to permeability, other transport parameters (such as porosity and thermal conductivity) of unsaturated fractured rocks.
NASA Astrophysics Data System (ADS)
Mukhopadhyay, Sumit; Tsang, Yvonne W.
2008-10-01
Flowing fluid temperature logging (FFTL) has recently been proposed as a method to locate flowing fractures. We argue that FFTL, backed up by data from high-precision distributed temperature sensors, can be a useful tool in locating flowing fractures and in estimating the transport properties of unsaturated fractured rocks. We have developed the theoretical background needed to analyze data from FFTL. In this article, we present a simplified conceptualization of FFTL in unsaturated fractured rock and develop a semi-analytical solution for spatial and temporal variations of pressure and temperature inside a borehole in response to an applied perturbation (pumping of air from the borehole). We compare the semi-analytical solution with predictions from the TOUGH2 numerical simulator. On the basis of the semi-analytical solution, we propose a method to estimate the permeability of the fracture continuum surrounding the borehole. Using this proposed method, we estimated the effective fracture continuum permeability of the unsaturated rock hosting the Drift Scale Test (DST) at Yucca Mountain, Nevada. Our estimate compares well with previous independent estimates for fracture permeability of the DST host rock. The conceptual model of FFTL presented in this article is based on the assumptions of single-phase flow, convection-only heat transfer, and negligible change in system state of the rock formation. In a sequel article, we extend the conceptual model to evaluate some of these assumptions. In that paper, we also perform inverse modeling of FFTL data to estimate, in addition to permeability, other transport parameters (such as porosity and thermal conductivity) of unsaturated fractured rocks.
Nichols, B.D.; Mueller, C.; Necker, G.A.; Travis, J.R.; Spore, J.W.; Lam, K.L.; Royl, P.; Redlinger, R.; Wilson, T.L.
1998-10-01
Los Alamos National Laboratory (LANL) and Forschungszentrum Karlsruhe (FzK) are developing GASFLOW, a three-dimensional (3D) fluid dynamics field code as a best-estimate tool to characterize local phenomena within a flow field. Examples of 3D phenomena include circulation patterns; flow stratification; hydrogen distribution mixing and stratification; combustion and flame propagation; effects of noncondensable gas distribution on local condensation and evaporation; and aerosol entrainment, transport, and deposition. An analysis with GASFLOW will result in a prediction of the gas composition and discrete particle distribution in space and time throughout the facility and the resulting pressure and temperature loadings on the walls and internal structures with or without combustion. A major application of GASFLOW is for predicting the transport, mixing, and combustion of hydrogen and other gases in nuclear reactor containments and other facilities. It has been applied to situations involving transporting and distributing combustible gas mixtures. It has been used to study gas dynamic behavior (1) in low-speed, buoyancy-driven flows, as well as sonic flows or diffusion dominated flows; and (2) during chemically reacting flows, including deflagrations. The effects of controlling such mixtures by safety systems can be analyzed. The code version described in this manual is designated GASFLOW 2.1, which combines previous versions of the United States Nuclear Regulatory Commission code HMS (for Hydrogen Mixing Studies) and the Department of Energy and FzK versions of GASFLOW. The code was written in standard Fortran 90. This manual comprises three volumes. Volume I describes the governing physical equations and computational model. Volume II describes how to use the code to set up a model geometry, specify gas species and material properties, define initial and boundary conditions, and specify different outputs, especially graphical displays. Sample problems are included
Salerno, K. Michael; Frischknecht, Amalie L.; Stevens, Mark J.
2016-04-08
Here, negatively charged nanoparticles (NPs) in 1:1, 1:2, and 1:3 electrolyte solutions are studied in a primitive ion model using molecular dynamics (MD) simulations and classical density functional theory (DFT). We determine the conditions for attractive interactions between the like-charged NPs. Ion density profiles and NP–NP interaction free energies are compared between the two methods and are found to be in qualitative agreement. The NP interaction free energy is purely repulsive for monovalent counterions, but can be attractive for divalent and trivalent counterions. Using DFT, the NP interaction free energy for different NP diameters and charges is calculated. The depthmore » and location of the minimum in the interaction depend strongly on the NPs’ charge. For certain parameters, the depth of the attractive well can reach 8–10 kBT, indicating that kinetic arrest and aggregation of the NPs due to electrostatic interactions is possible. Rich behavior arises from the geometric constraints of counterion packing at the NP surface. Layering of counterions around the NPs is observed and, as secondary counterion layers form the minimum of the NP–NP interaction free energy shifts to larger separation, and the depth of the free energy minimum varies dramatically. We find that attractive interactions occur with and without NP overcharging.« less
NASA Astrophysics Data System (ADS)
Härtel, Andreas; Samin, Sela; van Roij, René
2016-06-01
The ongoing scientific interest in the properties and structure of electric double layers (EDLs) stems from their pivotal role in (super)capacitive energy storage, energy harvesting, and water treatment technologies. Classical density functional theory (DFT) is a promising framework for the study of the in- and out-of-plane structural properties of double layers. Supported by molecular dynamics simulations, we demonstrate the adequate performance of DFT for analyzing charge layering in the EDL perpendicular to the electrodes. We discuss charge storage and capacitance of the EDL and the impact of screening due to dielectric solvents. We further calculate, for the first time, the in-plane structure of the EDL within the framework of DFT. While our out-of-plane results already hint at structural in-plane transitions inside the EDL, which have been observed recently in simulations and experiments, our DFT approach performs poorly in predicting in-plane structure in comparison to simulations. However, our findings isolate fundamental issues in the theoretical description of the EDL within the primitive model and point towards limitations in the performance of DFT in describing the out-of-plane structure of the EDL at high concentrations and potentials.
Härtel, Andreas; Samin, Sela; van Roij, René
2016-06-22
The ongoing scientific interest in the properties and structure of electric double layers (EDLs) stems from their pivotal role in (super)capacitive energy storage, energy harvesting, and water treatment technologies. Classical density functional theory (DFT) is a promising framework for the study of the in- and out-of-plane structural properties of double layers. Supported by molecular dynamics simulations, we demonstrate the adequate performance of DFT for analyzing charge layering in the EDL perpendicular to the electrodes. We discuss charge storage and capacitance of the EDL and the impact of screening due to dielectric solvents. We further calculate, for the first time, the in-plane structure of the EDL within the framework of DFT. While our out-of-plane results already hint at structural in-plane transitions inside the EDL, which have been observed recently in simulations and experiments, our DFT approach performs poorly in predicting in-plane structure in comparison to simulations. However, our findings isolate fundamental issues in the theoretical description of the EDL within the primitive model and point towards limitations in the performance of DFT in describing the out-of-plane structure of the EDL at high concentrations and potentials. PMID:27116552
Salerno, K Michael; Frischknecht, Amalie L; Stevens, Mark J
2016-07-01
Negatively charged nanoparticles (NPs) in 1:1, 1:2, and 1:3 electrolyte solutions are studied in a primitive ion model using molecular dynamics (MD) simulations and classical density functional theory (DFT). We determine the conditions for attractive interactions between the like-charged NPs. Ion density profiles and NP-NP interaction free energies are compared between the two methods and are found to be in qualitative agreement. The NP interaction free energy is purely repulsive for monovalent counterions, but can be attractive for divalent and trivalent counterions. Using DFT, the NP interaction free energy for different NP diameters and charges is calculated. The depth and location of the minimum in the interaction depend strongly on the NPs' charge. For certain parameters, the depth of the attractive well can reach 8-10 kBT, indicating that kinetic arrest and aggregation of the NPs due to electrostatic interactions is possible. Rich behavior arises from the geometric constraints of counterion packing at the NP surface. Layering of counterions around the NPs is observed and, as secondary counterion layers form the minimum of the NP-NP interaction free energy shifts to larger separation, and the depth of the free energy minimum varies dramatically. We find that attractive interactions occur with and without NP overcharging. PMID:27057763
Ottesen, J T
2003-04-01
An elastic rubber tube is connected with a stiffer rubber tube forming two halves of a torus and filled with water. Compressing one of the rubber tubes symmetrically and periodic at a point of asymmetry creates a remarkable unidirectional mean flow in the system. The size and the direction of the mean flow depend on the frequency of compression, the elasticity of the tubes, the compression ratio, and the type of compression with respect to time in a complicated manner. The system is modelled using a one-dimensional theory derived by averaging the Navier-Stokes equations ignoring higher order terms in a certain small quantity. The one-dimensional model is analysed partly analytically and partly numerically. A series of experiments on a physical realisation of the system are described. The theoretical findings and experimental results are compared; They show a remarkable agreement between the experiments and the predictions of the model. Frequencies at which the mean flow change direction are predicted numerically as well as analytically and the two results are compared. PMID:12673509
ERIC Educational Resources Information Center
Bird, R. Byron
1980-01-01
Problems in polymer fluid dynamics are described, including development of constitutive equations, rheometry, kinetic theory, flow visualization, heat transfer studies, flows with phase change, two-phase flow, polymer unit operations, and drag reduction. (JN)
ERIC Educational Resources Information Center
Collyer, A. A.
1973-01-01
Discusses theories underlying Newtonian and non-Newtonian fluids by explaining flow curves exhibited by plastic, shear-thining, and shear-thickening fluids and Bingham plastic materials. Indicates that the exact mechanism governing shear-thickening behaviors is a problem of further study. (CC)
Fluid mechanics in fluids at rest.
Brenner, Howard
2012-07-01
Using readily available experimental thermophoretic particle-velocity data it is shown, contrary to current teachings, that for the case of compressible flows independent dye- and particle-tracer velocity measurements of the local fluid velocity at a point in a flowing fluid do not generally result in the same fluid velocity measure. Rather, tracer-velocity equality holds only for incompressible flows. For compressible fluids, each type of tracer is shown to monitor a fundamentally different fluid velocity, with (i) a dye (or any other such molecular-tagging scheme) measuring the fluid's mass velocity v appearing in the continuity equation and (ii) a small, physicochemically and thermally inert, macroscopic (i.e., non-Brownian), solid particle measuring the fluid's volume velocity v(v). The term "compressibility" as used here includes not only pressure effects on density, but also temperature effects thereon. (For example, owing to a liquid's generally nonzero isobaric coefficient of thermal expansion, nonisothermal liquid flows are to be regarded as compressible despite the general perception of liquids as being incompressible.) Recognition of the fact that two independent fluid velocities, mass- and volume-based, are formally required to model continuum fluid behavior impacts on the foundations of contemporary (monovelocity) fluid mechanics. Included therein are the Navier-Stokes-Fourier equations, which are now seen to apply only to incompressible fluids (a fact well-known, empirically, to experimental gas kineticists). The findings of a difference in tracer velocities heralds the introduction into fluid mechanics of a general bipartite theory of fluid mechanics, bivelocity hydrodynamics [Brenner, Int. J. Eng. Sci. 54, 67 (2012)], differing from conventional hydrodynamics in situations entailing compressible flows and reducing to conventional hydrodynamics when the flow is incompressible, while being applicable to both liquids and gases. PMID:23005525
Frolov, Andrey I
2015-05-12
Accurate calculation of solvation free energies (SFEs) is a fundamental problem of theoretical chemistry. In this work we perform a careful validation of the theory of solutions in energy representation (ER method) developed by Matubayasi et al. [J. Chem. Phys. 2000, 113, 6070-6081] for SFE calculations in supercritical solvents. This method can be seen as a bridge between the molecular simulations and the classical (not quantum) density functional theory (DFT) formulated in energy representation. We performed extensive calculations of SFEs of organic molecules of different chemical natures in pure supercritical CO2 (sc-CO2) and in sc-CO2 with addition of 6 mol % of ethanol, acetone, and n-hexane as cosolvents. We show that the ER method reproduces SFE data calculated by a method free of theoretical approximations (the Bennett's acceptance ratio) with the mean absolute error of only 0.05 kcal/mol. However, the ER method requires by an order less computational resources. Also, we show that the quality of ER calculations should be carefully monitored since the lack of sampling can result into a considerable bias in predictions. The present calculations reproduce the trends in the cosolvent-induced solubility enhancement factors observed in experimental data. Thus, we think that molecular simulations coupled with the ER method can be used for quick calculations of the effect of variation of temperature, pressure, and cosolvent concentration on SFE and hence solubility of bioactive compounds in supercritical fluids. This should dramatically reduce the burden of experimental work on optimizing solvency of supercritical solvents. PMID:26574423
NASA Astrophysics Data System (ADS)
Chan, Ho Yin; Lubchenko, Vassiliy
2015-09-01
We set up the problem of finding the transition state for phase nucleation in multi-component fluid mixtures, within the Landau-Ginzburg density functional. We establish an expression for the coordinate-dependent local pressure that applies to mixtures, arbitrary geometries, and certain non-equilibrium configurations. The expression allows one to explicitly evaluate the pressure in spherical geometry, à la van der Waals. Pascal's law is recovered within the Landau-Ginzburg density functional theory, formally analogously to how conservation of energy is recovered in the Lagrangian formulation of mechanics. We establish proper boundary conditions for certain singular functional forms of the bulk free energy density that allow one to obtain droplet solutions with thick walls in essentially closed form. The hydrodynamic modes responsible for mixing near the interface are explicitly identified in the treatment; the composition at the interface is found to depend only weakly on the droplet size. Next we develop a Landau-Ginzburg treatment of the effects of amphiphiles on the surface tension; the amphiphilic action is seen as a violation of Pascal's law. We explicitly obtain the binding potential for the detergent at the interface and the dependence of the down-renormalization of the surface tension on the activity of the detergent. Finally, we argue that the renormalization of the activation barrier for escape from long-lived structures in glassy liquids can be viewed as an action of uniformly seeded, randomly oriented amphiphilic molecules on the interface separating two dissimilar aperiodic structures. This renormalization is also considered as a "wetting" of the interface. The resulting conclusions are consistent with the random first order transition theory.
Chan, Ho Yin; Lubchenko, Vassiliy
2015-09-28
We set up the problem of finding the transition state for phase nucleation in multi-component fluid mixtures, within the Landau-Ginzburg density functional. We establish an expression for the coordinate-dependent local pressure that applies to mixtures, arbitrary geometries, and certain non-equilibrium configurations. The expression allows one to explicitly evaluate the pressure in spherical geometry, à la van der Waals. Pascal's law is recovered within the Landau-Ginzburg density functional theory, formally analogously to how conservation of energy is recovered in the Lagrangian formulation of mechanics. We establish proper boundary conditions for certain singular functional forms of the bulk free energy density that allow one to obtain droplet solutions with thick walls in essentially closed form. The hydrodynamic modes responsible for mixing near the interface are explicitly identified in the treatment; the composition at the interface is found to depend only weakly on the droplet size. Next we develop a Landau-Ginzburg treatment of the effects of amphiphiles on the surface tension; the amphiphilic action is seen as a violation of Pascal's law. We explicitly obtain the binding potential for the detergent at the interface and the dependence of the down-renormalization of the surface tension on the activity of the detergent. Finally, we argue that the renormalization of the activation barrier for escape from long-lived structures in glassy liquids can be viewed as an action of uniformly seeded, randomly oriented amphiphilic molecules on the interface separating two dissimilar aperiodic structures. This renormalization is also considered as a "wetting" of the interface. The resulting conclusions are consistent with the random first order transition theory. PMID:26429019
Relativistic fluid dynamics. Proceedings.
NASA Astrophysics Data System (ADS)
Anile, A. M.; Choquet-Bruhat, Y.
Contents: 1. Covariant theory of conductivity in ideal fluid or solid media (B. Carter). 2. Hamiltonian techniques for relativistic fluid dynamics and stability theory (D. D. Holm). 3. Covariant fluid mechanics and thermodynamics: an introduction (W. Israel). 4. Relativistic plasmas (H. Weitzner). 5. An improved relativistic warm plasma model (A. M. Anile, S. Pennisi). 6. Relativistic extended thermodynamics II (I. Müller). 7. Relativistic extended thermodynamics: general assumptions and mathematical procedure (T. Ruggeri). 8. Relativistic hydrodynamics and heavy ion reactions (D. Strottman). 9. Some problems in relativistic hydrodynamics (C. G. van Weert).
NASA Astrophysics Data System (ADS)
Lu, Jianbo; Xu, Yanfeng; Wu, Yabo
2015-10-01
Observations indicate that most of the universal matter is invisible and the gravitational constant G( t) maybe depends on time. A theory of the variational G (VG) is explored in this paper, naturally producing the useful dark components in the universe. We utilize the following observational data: lookback time data, model-independent gamma ray bursts, growth function of matter linear perturbations, type Ia supernovae data with systematic errors, CMB, and BAO, to restrict the unified model (UM) of dark components in VG theory. Using the best-fit values of the parameters with the covariance matrix, constraints on the variation of G are ( G/G0) _{z=3.5}˜eq 1.0015^{+0.0071}_{-0.0075} and ( dot{G}/G) _{today}˜eq -0.7252^{+2.3645}_{-2.3645}× 10^{-13} year^{-1}, with small uncertainties around the constants. The limit on the equation of state of dark matter is w_{0dm}=0.0072^{+0.0170}_{-0.0170}, assuming w_{0de}=-1 in the unified model, and the dark energy is w_{0de}=-0.9986^{+0.0011}_{-0.0011}, assuming w_{0dm}=0 a priori. The restrictions on the UM parameters are Bs=0.7442^{+0.0137+0.0262}_{-0.0132-0.0292} and α =0.0002^{+0.0206+0.0441}_{-0.0209-0.0422} with 1σ and 2σ confidence level. In addition, the effects of a cosmic string fluid on the unified model in VG theory are investigated. In this case it is found that the Λ CDM (Ω s=0, β =0, and α =0) is included in this VG-UM model at 1σ confidence level, and larger errors are given: Ω s=-0.0106^{+0.0312+0.0582}_{-0.0305-0.0509} (dimensionless energy density of cosmic string), ( G/G0) _{z=3.5}˜eq 1.0008^{+0.0620}_{-0.0584}, and ( dot{G}/G) _{today}˜eq -0.3496^{+26.3135}_{-26.3135}× 10^{-13} year^{-1}.