General model of phospholipid bilayers in fluid phase within the single chain mean field theory
Energy Technology Data Exchange (ETDEWEB)
Guo, Yachong; Baulin, Vladimir A. [Departament d’Enginyeria Química, Universitat Rovira i Virgili, Av. dels Paisos Catalans 26, 43007 Tarragona (Spain); Pogodin, Sergey [Institute of Chemical Research of Catalonia, ICIQ, Av. Paisos Catalans 16, 43007 Tarragona (Spain)
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.
Infrared spectroscopy of fluid lipid bilayers.
Hull, Marshall C; Cambrea, Lee R; Hovis, Jennifer S
2005-09-15
Infrared spectroscopy is a powerful technique for examining lipid bilayers; however, it says little about the fluidity of the bilayer-a key physical aspect. It is shown here that it is possible to both acquire spectroscopic data of supported lipid bilayer samples and make measurements of the membrane fluidity. Attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FT-IR) is used to obtain the spectroscopic information and fluorescence recovery after photobleaching (FRAP) is used to determine the fluidity of the samples. In the infrared spectra of lipid bilayers composed of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, the following major peaks were observed; nu(as)(CH3) 2954 cm(-1), nu(s)(CH3) 2870 cm(-1), nu(as)(CH2) 2924 cm(-1), nu(s)(CH2) 2852 cm(-1), nu(C=O) 1734 cm(-1), delta(CH2) 1463-1473 cm(-1), nu(as)(PO2-) 1226 cm(-1), nu(s)(PO2-) 1084 cm(-1), and nu(as)(N+(CH3)3) 973 cm(-1). The diffusion coefficient of the same lipid bilayer was measured to be 3.5 +/- 0.5 micom(2)/s with visual recovery also noted through use of epifluorescence microscopy. FRAP and visual data confirm the formation of a uniform, mobile supported lipid bilayer. The combination of ATR-FT-IR and FRAP provides complementary data giving a more complete picture of fully hydrated model membrane systems.
Synthesizing and characterization of bilayer ferro fluid
International Nuclear Information System (INIS)
Akhavan, M.; Ghominezhad, M.
1997-01-01
Adsorption role of the sodium dodecyl sulfate (SDS) as the second layer surfactant in a double layer surfactant ferro fluid is investigated. Preparation of the solid phase is based on the growth of the magnetic oxide by dehydration of the salt solution of FeCl sub 2 and FeCl sub 3 in an identical molar ratio. The particle size was determined through the magnetic measurements by VSM to be about 8-10 nm. The data show that in a certain thermal interval, a local maxima appears in the magnetic oxide concentration which is a function of the stirring time and the SDS concentration. Increasing temperature, causes surface oxidation which decreases the magnetization, similar to what happens in the monolayer ferro fluids. In addition, in the double layer systems, the solubility of the layers into each other varies. This has a more profound effect on the saturation magnetization. (author)
Interaction of elaiophylin with model bilayer membrane
Genova, J.; Dencheva-Zarkova, M.
2017-01-01
Elaiophylin is a new macrodiolide antibiotic, which is produced by the Streptomyces strains [1]. It displays biological activities against Gram-positive bacteria and fungi. The mode of action of this antibiotic has been attributed to an alteration of the membrane permeability. When this antibiotic is inserted into the bilayer membranes destabilization of the membrane and formation of ion-penetrable channels is observed. The macrodiolide antibiotic forms stable cation selective ion channels in synthetic lipid bilayer membranes. The aim of this work was to study the interactions of Elaiophylin with model bilayer membranes and to get information on the mechanical properties of lipid bilayers in presence of this antibiotic. Patch-clamp technique [2] were used in the study
Energy Technology Data Exchange (ETDEWEB)
White, S.H. [Univ. of California, Irvine, CA (United States); Wiener, M.C. [Univ. of California, San Francisco, CA (United States)
1994-12-31
Experimentally-determined structural models of fluid lipid bilayers are essential for verifying molecular dynamics simulations of bilayers and for understanding the structural consequences of peptide interactions. The extreme thermal motion of bilayers precludes the possibility of atomic-level structural models. Defining {open_quote}the structure{close_quote} of a bilayer as the time-averaged transbilayer distribution of the water and the principal lipid structural groups such as the carbonyls and double-bonds (quasimolecular fragments), one can represent the bilayer structure as a sum of Gaussian functions referred to collectively as the quasimolecular structure. One method of determining the structure is by neutron diffraction combined with exhaustive specific deuteration. This method is impractical because of the expense of the chemical syntheses and the limited amount of neutron beam time currently available. We have therefore developed the composition space refinement method for combining X-ray and minimal neutron diffraction data to arrive at remarkably detailed and accurate structures of fluid bilayers. The composition space representation of the bilayer describes the probability of occupancy per unit length across the width of the bilayer of each quasimolecular component and permits the joint refinement of X-ray and neutron lamellar diffraction data by means of a single quasimolecular structure that is fitted simultaneously to both data sets. Scaling of each component by the appropriate neutron or X-ray scattering length maps the composition-space profile to the appropriate scattering length space for comparison to experimental data. The difficulty with the method is that fluid bilayer structures are generally only marginally determined by the experimental data. This means that the space of possible solutions must be extensively explored in conjunction with a thorough analysis of errors.
International Nuclear Information System (INIS)
White, S.H.; Wiener, M.C.
1994-01-01
Experimentally-determined structural models of fluid lipid bilayers are essential for verifying molecular dynamics simulations of bilayers and for understanding the structural consequences of peptide interactions. The extreme thermal motion of bilayers precludes the possibility of atomic-level structural models. Defining open-quote the structure close-quote of a bilayer as the time-averaged transbilayer distribution of the water and the principal lipid structural groups such as the carbonyls and double-bonds (quasimolecular fragments), one can represent the bilayer structure as a sum of Gaussian functions referred to collectively as the quasimolecular structure. One method of determining the structure is by neutron diffraction combined with exhaustive specific deuteration. This method is impractical because of the expense of the chemical syntheses and the limited amount of neutron beam time currently available. We have therefore developed the composition space refinement method for combining X-ray and minimal neutron diffraction data to arrive at remarkably detailed and accurate structures of fluid bilayers. The composition space representation of the bilayer describes the probability of occupancy per unit length across the width of the bilayer of each quasimolecular component and permits the joint refinement of X-ray and neutron lamellar diffraction data by means of a single quasimolecular structure that is fitted simultaneously to both data sets. Scaling of each component by the appropriate neutron or X-ray scattering length maps the composition-space profile to the appropriate scattering length space for comparison to experimental data. The difficulty with the method is that fluid bilayer structures are generally only marginally determined by the experimental data. This means that the space of possible solutions must be extensively explored in conjunction with a thorough analysis of errors
Molecular dynamics modelling of EGCG clusters on ceramide bilayers
Energy Technology Data Exchange (ETDEWEB)
Yeo, Jingjie; Cheng, Yuan; Li, Weifeng; Zhang, Yong-Wei [Institute of High Performance Computing, A*STAR, 138632 (Singapore)
2015-12-31
A novel method of atomistic modelling and characterization of both pure ceramide and mixed lipid bilayers is being developed, using only the General Amber ForceField. Lipid bilayers modelled as pure ceramides adopt hexagonal packing after equilibration, and the area per lipid and bilayer thickness are consistent with previously reported theoretical results. Mixed lipid bilayers are modelled as a combination of ceramides, cholesterol, and free fatty acids. This model is shown to be stable after equilibration. Green tea extract, also known as epigallocatechin-3-gallate, is introduced as a spherical cluster on the surface of the mixed lipid bilayer. It is demonstrated that the cluster is able to bind to the bilayers as a cluster without diffusing into the surrounding water.
Morigaki, Kenichi; Mizutani, Kazuyuki; Saito, Makoto; Okazaki, Takashi; Nakajima, Yoshihiro; Tatsu, Yoshiro; Imaishi, Hiromasa
2013-02-26
We describe a stable and functional model biological membrane based on a polymerized lipid bilayer with a chemically modified surface. A polymerized lipid bilayer was formed from a mixture of two diacetylene-containing phospholipids, 1,2-bis(10,12-tricosadiynoyl)-sn-glycero-3-phosphocholine (DiynePC) and 1,2-bis(10,12-tricosadiynoyl)-sn-glycero-3-phosphoethanolamine (DiynePE). DiynePC formed a stable bilayer structure, whereas the ethanolamine headgroup of DiynePE enabled functional molecules to be grafted onto the membrane surface. Copolymerization of DiynePC and DiynePE resulted in a robust bilayer. Functionalization of the polymeric bilayer provided a route to a robust and biomimetic surface that can be linked with biomolecules, cells, and three-dimensional (3D) microstructures. Biotin and peptides were grafted onto the polymeric bilayer for attaching streptavidin and cultured mammalian cells by molecular recognition, respectively. Nonspecific adsorption of proteins and cells on polymeric bilayers was minimum. DiynePE was also used to attach a microstructure made of an elastomer (polydimethylsiloxan: PDMS) onto the membrane, forming a confined aqueous solution between the two surfaces. The microcompartment enabled us to assay the activity of a membrane-bound enzyme (cyochrome P450). Natural (fluid) lipid bilayers were incorporated together with membrane-bound proteins by lithographically polymerizing DiynePC/DiynePE bilayers. The hybrid membrane of functionalized polymeric bilayers and fluid bilayers offers a novel platform for a wide range of biomedical applications including biosensor, bioassay, cell culture, and cell-based assay.
Modeling constrained sintering of bi-layered tubular structures
DEFF Research Database (Denmark)
Tadesse Molla, Tesfaye; Kothanda Ramachandran, Dhavanesan; Ni, De Wei
2015-01-01
Constrained sintering of tubular bi-layered structures is being used in the development of various technologies. Densification mismatch between the layers making the tubular bi-layer can generate stresses, which may create processing defects. An analytical model is presented to describe the densi...... and thermo-mechanical analysis. Results from the analytical model are found to agree well with finite element simulations as well as measurements from sintering experiment....
International Nuclear Information System (INIS)
Kucerka, Norbert; Nieh, Mu-Ping; Katsaras, John
2011-01-01
The structural parameters of fluid phase bilayers composed of phosphatidylcholines with fully saturated, mixed, and branched fatty acid chains, at several temperatures, have been determined by simultaneously analyzing small-angle neutron and X-ray scattering data. Bilayer parameters, such as area per lipid and overall bilayer thickness have been obtained in conjunction with intrabilayer structural parameters (e.g. hydrocarbon region thickness). The results have allowed us to assess the effect of temperature and hydrocarbon chain composition on bilayer structure. For example, we found that for all lipids there is, not surprisingly, an increase in fatty acid chain trans-gauche isomerization with increasing temperature. Moreover, this increase in trans-gauche isomerization scales with fatty acid chain length in mixed chain lipids. However, in the case of lipids with saturated fatty acid chains, trans-gauche isomerization is increasingly tempered by attractive chain-chain van der Waals interactions with increasing chain length. Finally, our results confirm a strong dependence of lipid chain dynamics as a function of double bond position along fatty acid chains.
Separating attoliter-sized compartments using fluid pore-spanning lipid bilayers.
Lazzara, Thomas D; Carnarius, Christian; Kocun, Marta; Janshoff, Andreas; Steinem, Claudia
2011-09-27
Anodic aluminum oxide (AAO) is a porous material having aligned cylindrical compartments with 55-60 nm diameter pores, and being several micrometers deep. A protocol was developed to generate pore-spanning fluid lipid bilayers separating the attoliter-sized compartments of the nanoporous material from the bulk solution, while preserving the optical transparency of the AAO. The AAO was selectively functionalized by silane chemistry to spread giant unilamellar vesicles (GUVs) resulting in large continuous membrane patches covering the pores. Formation of fluid single lipid bilayers through GUV rupture could be readily observed by fluorescence microscopy and further supported by conservation of membrane surface area, before and after GUV rupture. Fluorescence recovery after photobleaching gave low immobile fractions (5-15%) and lipid diffusion coefficients similar to those found for bilayers on silica. The entrapment of molecules within the porous underlying cylindrical compartments, as well as the exclusion of macromolecules from the nanopores, demonstrate the barrier function of the pore-spanning membranes and could be investigated in three-dimensions using confocal laser scanning fluorescence imaging. © 2011 American Chemical Society
Model for the structure of the lipid bilayer
International Nuclear Information System (INIS)
Pastor, R.W.; Venable, R.M.; Karplus, M.
1991-01-01
A detailed model for the structure and dynamics of the interior of the lipid bilayer in the liquid crystal phase is presented. The model includes two classes of motion: (i) the internal dynamics of the chains, determined from Brownian dynamics simulations with a continuous version of the Marcelja mean-field potential, and (ii) noncollective reorientation (axial rotation and wobble) of the entire molecule, introduced by a cone model. The basic unit of the model is a single lipid chain with field parameters adjusted to fit the 2H order parameters and the frequency-dependent 13C NMR T1 relaxation times of dipalmitoyl phosphatidylcholine bilayers. The chain configurations obtained from the trajectory are used to construct a representation of the bilayer. The resulting lipid assembly is consistent with NMR, neutron diffraction, surface area, and density data. It indicates that a high degree of chain disorder and entanglement exists in biological membranes
Fluid lipid bilayers: Intermonolayer coupling and its thermodynamic manifestations
DEFF Research Database (Denmark)
Hansen, Per Lyngs; Miao, Ling; Ipsen, John Hjorth
1998-01-01
of a phenomenological model that describes the necessary types of degrees of freedom and their interplay, which reflects different modes of intermonolayer coupling. Furthermore, we investigate! based on the phenomenological model, the manifestations of the intermonolayer coupling both in the lateral ordering processes...
Calculations of the electrostatic potential adjacent to model phospholipid bilayers.
Peitzsch, R M; Eisenberg, M; Sharp, K A; McLaughlin, S
1995-03-01
We used the nonlinear Poisson-Boltzmann equation to calculate electrostatic potentials in the aqueous phase adjacent to model phospholipid bilayers containing mixtures of zwitterionic lipids (phosphatidylcholine) and acidic lipids (phosphatidylserine or phosphatidylglycerol). The aqueous phase (relative permittivity, epsilon r = 80) contains 0.1 M monovalent salt. When the bilayers contain equipotential surfaces are discrete domes centered over the negatively charged lipids and are approximately twice the value calculated using Debye-Hückel theory. When the bilayers contain > 25% acidic lipid, the -25 mV equipotential profiles are essentially flat and agree well with the values calculated using Gouy-Chapman theory. When the bilayers contain 100% acidic lipid, all of the equipotential surfaces are flat and agree with Gouy-Chapman predictions (including the -100 mV surface, which is located only 1 A from the outermost atoms). Even our model bilayers are not simple systems: the charge on each lipid is distributed over several atoms, these partial charges are non-coplanar, there is a 2 A ion-exclusion region (epsilon r = 80) adjacent to the polar headgroups, and the molecular surface is rough. We investigated the effect of these four factors using smooth (or bumpy) epsilon r = 2 slabs with embedded point charges: these factors had only minor effects on the potential in the aqueous phase.
Device model investigation of bilayer organic light emitting diodes
International Nuclear Information System (INIS)
Crone, B. K.; Davids, P. S.; Campbell, I. H.; Smith, D. L.
2000-01-01
Organic materials that have desirable luminescence properties, such as a favorable emission spectrum and high luminescence efficiency, are not necessarily suitable for single layer organic light-emitting diodes (LEDs) because the material may have unequal carrier mobilities or contact limited injection properties. As a result, single layer LEDs made from such organic materials are inefficient. In this article, we present device model calculations of single layer and bilayer organic LED characteristics that demonstrate the improvements in device performance that can occur in bilayer devices. We first consider an organic material where the mobilities of the electrons and holes are significantly different. The role of the bilayer structure in this case is to move the recombination away from the electrode that injects the low mobility carrier. We then consider an organic material with equal electron and hole mobilities but where it is not possible to make a good contact for one carrier type, say electrons. The role of a bilayer structure in this case is to prevent the holes from traversing the device without recombining. In both cases, single layer device limitations can be overcome by employing a two organic layer structure. The results are discussed using the calculated spatial variation of the carrier densities, electric field, and recombination rate density in the structures. (c) 2000 American Institute of Physics
Modeling and simulation of thermally actuated bilayer plates
Bartels, Sören; Bonito, Andrea; Muliana, Anastasia H.; Nochetto, Ricardo H.
2018-02-01
We present a mathematical model of polymer bilayers that undergo large bending deformations when actuated by non-mechanical stimuli such as thermal effects. The simple model captures a large class of nonlinear bending effects and can be discretized with standard plate elements. We devise a fully practical iterative scheme and apply it to the simulation of folding of several practically useful compliant structures comprising of thin elastic layers.
Discrete particle modeling and micromechanical characterization of bilayer tablet compaction.
Yohannes, B; Gonzalez, M; Abebe, A; Sprockel, O; Nikfar, F; Kiang, S; Cuitiño, A M
2017-08-30
A mechanistic particle scale model is proposed for bilayer tablet compaction. Making bilayer tablets involves the application of first layer compaction pressure on the first layer powder and a second layer compaction pressure on entire powder bed. The bonding formed between the first layer and the second layer particles is crucial for the mechanical strength of the bilayer tablet. The bonding and the contact forces between particles of the first layer and second layer are affected by the deformation and rearrangement of particles due to the compaction pressures. Our model takes into consideration the elastic and plastic deformations of the first layer particles due to the first layer compaction pressure, in addition to the mechanical and physical properties of the particles. Using this model, bilayer tablets with layers of the same material and different materials, which are commonly used pharmaceutical powders, are tested. The simulations show that the strength of the layer interface becomes weaker than the strength of the two layers as the first layer compaction pressure is increased. The reduction of strength at the layer interface is related to reduction of the first layer surface roughness. The reduced roughness decreases the available bonding area and hence reduces the mechanical strength at the interface. In addition, the simulations show that at higher first layer compaction pressure the bonding area is significantly less than the total contact area at the layer interface. At the interface itself, there is a non-monotonic relationship between the bonding area and first layer force. The bonding area at the interface first increases and then decreases as the first layer pressure is increased. These results are in agreement with findings of previous experimental studies. Copyright © 2017 Elsevier B.V. All rights reserved.
COUPLED CHEMOTAXIS FLUID MODEL
LORZ, ALEXANDER
2010-01-01
We consider a model system for the collective behavior of oxygen-driven swimming bacteria in an aquatic fluid. In certain parameter regimes, such suspensions of bacteria feature large-scale convection patterns as a result of the hydrodynamic
Permeability of a Fluid Lipid Bilayer to Short-Chain Alcohols from First Principles.
Comer, Jeffrey; Schulten, Klaus; Chipot, Christophe
2017-06-13
Computational prediction of membrane permeability to small molecules requires accurate description of both the thermodynamics and kinetics underlying translocation across the lipid bilayer. In this contribution, well-converged, microsecond-long free-energy calculations are combined with a recently developed subdiffusive kinetics framework to describe the membrane permeation of a homologous series of short-tail alcohols, from methanol to 1-butanol, with unprecedented fidelity to the underlying molecular models. While the free-energy profiles exhibit barriers for passage through the center of the bilayer in all cases, the height of these barriers decreases with the length of the aliphatic chain of the alcohol, in quantitative agreement with experimentally determined differential solvation free energies in water and oil. A unique aspect of the subdiffusive model employed herein, which was developed in a previous article, is the determination of a position-dependent fractional order which quantifies the degree to which the motion of the alcohol deviates from classical diffusion along the thickness of the membrane. In the aqueous medium far from the bilayer, this quantity approaches 1.0, the asymptotic limit for purely classical diffusion, whereas it dips below 0.75 near the center of the membrane irrespective of the permeant. Remarkably, the fractional diffusivity near the center of membrane, where its influence on the permeability is the greatest, is similar among the four permeants despite the large difference in molecular weight and lipophilicity between methanol and 1-butanol. The relative permeabilities, which are estimated from the free-energy and fractional diffusivity profiles, are therefore determined predominantly by differences in the former rather than the latter. The predicted relative permeabilities are highly correlated with existing experimental results, albeit they do not agree quantitatively with them. On the other hand, quite unexpectedly, the
Anti-ferromagnetic Heisenberg model on bilayer honeycomb
International Nuclear Information System (INIS)
Shoja, M.; Shahbazi, F.
2012-01-01
Recent experiment on spin-3/2 bilayer honeycomb lattice antiferromagnet Bi 3 Mn 4 O 12 (NO 3 ) shows a spin liquid behavior down to very low temperatures. This behavior can be ascribed to the frustration effect due to competitions between first and second nearest neighbour's antiferromagnet interaction. Motivated by the experiment, we study J 1 -J 2 Antiferromagnet Heisenberg model, using Mean field Theory. This calculation shows highly degenerate ground state. We also calculate the effect of second nearest neighbor through z direction and show these neighbors also increase frustration in these systems. Because of these degenerate ground state in these systems, spins can't find any ground state to be freeze in low temperatures. This behavior shows a novel spin liquid state down to very low temperatures.
DEFF Research Database (Denmark)
Venturoli, M.; Smit, B.; Sperotto, Maria Maddalena
2005-01-01
membranes. Here we present a mesoscopic model for lipid bilayers with embedded proteins, which we have studied with the help of the dissipative particle dynamics simulation technique. Because hydrophobic matching is believed to be one of the main physical mechanisms regulating lipid-protein interactions......-induced protein tilt, with the hydrophobic mismatch ( positive and negative) between the protein hydrophobic length and the pure lipid bilayer hydrophobic thickness. The protein-induced bilayer perturbation was quantified in terms of a coherence length, xi(P), of the lipid bilayer hydrophobic thickness pro. le...... for positive values of mismatch; a dependence on the protein size appears as well. In the case of large model proteins experiencing extreme mismatch conditions, in the region next to the so-called lipid annulus, there appears an undershooting ( or overshooting) region where the bilayer hydrophobic thickness...
Brinkman, Daniel; Fellner, Klemens J.; Markowich, Peter A.; Wolfram, Marie Therese
2013-01-01
We present and discuss a mathematical model for the operation of bilayer organic photovoltaic devices. Our model couples drift-diffusion-recombination equations for the charge carriers (specifically, electrons and holes) with a reaction
COUPLED CHEMOTAXIS FLUID MODEL
LORZ, ALEXANDER
2010-06-01
We consider a model system for the collective behavior of oxygen-driven swimming bacteria in an aquatic fluid. In certain parameter regimes, such suspensions of bacteria feature large-scale convection patterns as a result of the hydrodynamic interaction between bacteria. The presented model consist of a parabolicparabolic chemotaxis system for the oxygen concentration and the bacteria density coupled to an incompressible Stokes equation for the fluid driven by a gravitational force of the heavier bacteria. We show local existence of weak solutions in a bounded domain in d, d = 2, 3 with no-flux boundary condition and in 2 in the case of inhomogeneous Dirichlet conditions for the oxygen. © 2010 World Scientific Publishing Company.
Zhou, Jihan; Liang, Dehai; Contera, Sonia
2015-10-01
Penetration and partition of C60 to the lipid bilayer core are both relevant to C60 toxicity, and useful to realise C60 biomedical potential. A key aspect is the effect of C60 on bilayer mechanical properties. Here, we present an experimental study on the mechanical effect of the incorporation of C60 into the hydrophobic core of fluid and gel phase zwitterionic phosphatidylcholine (PC) lipid bilayers. We demonstrate its incorporation inside the hydrophobic lipid core and the effect on the packing of the lipids and the vesicle size using a combination of infrared (IR) spectroscopy, atomic force microscopy (AFM) and laser light scattering. Using AFM we measured the Young's modulus of elasticity (E) of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC), 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) and 1,2-distearoyl-sn-glycero-3-phosphocholine (DSPC) in the absence (presence) of intra-membranous C60 at 24.5 °C. E of fluid phase supported bilayers is not altered by C60, but E increases with incorporation of C60 in gel phase bilayers. The increase is higher for longer hydrocarbon chains: 1.6 times for DPPC and 2 times for DSPC. However the mechanical resistance of gel phase bilayers of curved bilayered structures decreases with the incorporation of C60. Our combined results indicate that C60 causes a decrease in gel phase lipid mobility, i.e. an increase in membrane viscosity.
Bilayer Graphene Application on NO2 Sensor Modelling
Directory of Open Access Journals (Sweden)
Elnaz Akbari
2014-01-01
Full Text Available Graphene is one of the carbon allotropes which is a single atom thin layer with sp2 hybridized and two-dimensional (2D honeycomb structure of carbon. As an outstanding material exhibiting unique mechanical, electrical, and chemical characteristics including high strength, high conductivity, and high surface area, graphene has earned a remarkable position in today’s experimental and theoretical studies as well as industrial applications. One such application incorporates the idea of using graphene to achieve accuracy and higher speed in detection devices utilized in cases where gas sensing is required. Although there are plenty of experimental studies in this field, the lack of analytical models is felt deeply. To start with modelling, the field effect transistor- (FET- based structure has been chosen to serve as the platform and bilayer graphene density of state variation effect by NO2 injection has been discussed. The chemical reaction between graphene and gas creates new carriers in graphene which cause density changes and eventually cause changes in the carrier velocity. In the presence of NO2 gas, electrons are donated to the FET channel which is employed as a sensing mechanism. In order to evaluate the accuracy of the proposed models, the results obtained are compared with the existing experimental data and acceptable agreement is reported.
Small-angle neutron scattering from multilamellar lipid bilayers: Theory, model, and experiment
DEFF Research Database (Denmark)
Lemmich, Jesper; Mortensen, Kell; Ipsen, John Hjorth
1996-01-01
Small-angle neutron scattering data obtained from fully hydrated, multilamellar phospholipid bilayers with deuterated acyl chains of different length are presented and analyzed within a paracrystalline theory and a geometric model that permit the bilayer structure to be determined under conditions...... of temperature for the lamellar repeat distance, the hydrophobic bilayer thickness, as well as the thickness of the aqueous and polar head group region. In addition to these geometric parameters the analysis permits determination of molecular cross-sectional area, number of interlamellar water molecules, as well...
Richards, Mark J; Daniel, Susan
2017-02-07
The supported lipid bilayer has been portrayed as a useful model of the cell membrane compatible with many biophysical tools and techniques that demonstrate its appeal in learning about the basic features of the plasma membrane. However, some of its potential has yet to be realized, particularly in the area of bilayer patterning and phase/composition heterogeneity. In this work, we generate contiguous bilayer patterns as a model system that captures the general features of membrane domains and lipid rafts. Micropatterned polymer templates of two types are investigated for generating patterned bilayer formation: polymer blotting and polymer lift-off stenciling. While these approaches have been used previously to create bilayer arrays by corralling bilayers patches with various types of boundaries impenetrable to bilayer diffusion, unique to the methods presented here, there are no physical barriers to diffusion. In this work, interfaces between contiguous lipid phases define the pattern shapes, with continuity between them allowing transfer of membrane-bound biomolecules between the phases. We examine effectors of membrane domain stability including temperature and cholesterol content to investigate domain dynamics. Contiguous patterning of supported bilayers as a model of lipid rafts expands the application of the SLB to an area with current appeal and brings with it a useful toolset for characterization and analysis. These combined tools should be helpful to researchers investigating lipid raft dynamics and function and biomolecule partitioning studies. Additionally, this patterning technique may be useful for applications such as bioseparations that exploit differences in lipid phase partitioning or creation of membranes that bind species like viruses preferentially at lipid phase boundaries, to name a few.
Finite element modeling of camber evolution during sintering of bi-layers
DEFF Research Database (Denmark)
Tadesse Molla, Tesfaye; Ni, De Wei; Bulatova, Regina
2014-01-01
The need for understanding the mechanisms and optimization of shape distortions during sintering of bilayers is necessary while producing structures with functionally graded architectures. A finite element model based on the continuum theory of sintering was developed to understand the camber...... developments during sintering of bilayers composed of La0.85Sr0.15MnO3 and Ce0.9Gd0.1O1.95 tapes. Free shrinkage kinetics of both tapes were used to estimate the parameters necessary for the finite element models. Systematic investigations of the factors affecting the kinetics of distortions such as gravity...... and friction as well as the initial geometric parameters of the bilayers were made using optical dilatometry experiments and the model. The developed models were able to capture the observed behaviors of the bilayers’ distortions during sintering. Finally, we present the importance of understanding and hence...
Andoh, Yoshimichi; Aoki, Noriyuki; Okazaki, Susumu
2016-02-28
Molecular dynamics (MD) calculations of lipid bilayers modeling the plasma membranes of normal mouse hepatocytes and hepatomas in water have been performed under physiological isothermal-isobaric conditions (310.15 K and 1 atm). The changes in the membrane properties induced by hepatic canceration were investigated and were compared with previous MD calculations included in our previous study of the changes in membrane properties induced by murine thymic canceration. The calculated model membranes for normal hepatocytes and hepatomas comprised 23 and 24 kinds of lipids, respectively. These included phosphatidylcholine, phosphatidylethanolamine, phosphatidylserine, phosphatidylinositol, sphingomyelin, lysophospholipids, and cholesterol. We referred to previously published experimental values for the mole fraction of the lipids adopted in the present calculations. The calculated structural and dynamic properties of the membranes such as lateral structure, order parameters, lateral self-diffusion constants, and rotational correlation times all showed that hepatic canceration causes plasma membranes to become more ordered laterally and less fluid. Interestingly, this finding contrasts with the less ordered structure and increased fluidity of plasma membranes induced by thymic canceration observed in our previous MD study.
Mesoscopic model for binary fluids
Echeverria, C.; Tucci, K.; Alvarez-Llamoza, O.; Orozco-Guillén, E. E.; Morales, M.; Cosenza, M. G.
2017-10-01
We propose a model for studying binary fluids based on the mesoscopic molecular simulation technique known as multiparticle collision, where the space and state variables are continuous, and time is discrete. We include a repulsion rule to simulate segregation processes that does not require calculation of the interaction forces between particles, so binary fluids can be described on a mesoscopic scale. The model is conceptually simple and computationally efficient; it maintains Galilean invariance and conserves the mass and energy in the system at the micro- and macro-scale, whereas momentum is conserved globally. For a wide range of temperatures and densities, the model yields results in good agreement with the known properties of binary fluids, such as the density profile, interface width, phase separation, and phase growth. We also apply the model to the study of binary fluids in crowded environments with consistent results.
A simple analytical thermo-mechanical model for liquid crystal elastomer bilayer structures
Directory of Open Access Journals (Sweden)
Yun Cui
2018-02-01
Full Text Available The bilayer structure consisting of thermal-responsive liquid crystal elastomers (LCEs and other polymer materials with stretchable heaters has attracted much attention in applications of soft actuators and soft robots due to its ability to generate large deformations when subjected to heat stimuli. A simple analytical thermo-mechanical model, accounting for the non-uniform feature of the temperature/strain distribution along the thickness direction, is established for this type of bilayer structure. The analytical predictions of the temperature and bending curvature radius agree well with finite element analysis and experiments. The influences of the LCE thickness and the heat generation power on the bending deformation of the bilayer structure are fully investigated. It is shown that a thinner LCE layer and a higher heat generation power could yield more bending deformation. These results may help the design of soft actuators and soft robots involving thermal responsive LCEs.
Improved Modeling Approaches for Constrained Sintering of Bi-Layered Porous Structures
DEFF Research Database (Denmark)
Tadesse Molla, Tesfaye; Frandsen, Henrik Lund; Esposito, Vincenzo
2012-01-01
Shape instabilities during constrained sintering experiment of bi-layer porous and dense cerium gadolinium oxide (CGO) structures have been analyzed. An analytical and a numerical model based on the continuum theory of sintering has been implemented to describe the evolution of bow and densificat...
Stability of monolayers and bilayers in a copolymer-homopolymer blend model
Gennip, van Y.; Peletier, M.A.
2007-01-01
We study the stability of layered structures in a variational model for diblock copolymer- homopolymer blends. The main step consists of calculating the first and second derivative of a sharp-interface Ohta-Kawasaki energy for straight mono- and bilayers. By developing the interface perturbations in
A model of lipid rearrangements during pore formation in the DPPC lipid bilayer.
Wrona, Artur; Kubica, Krystian
2017-07-10
The molecular bases of pore formation in the lipid bilayer remain unclear, as do the exact characteristics of their sizes and distributions. To understand this process, numerous studies have been performed on model lipid membranes including cell-sized giant unilamellar vesicles (GUV). The effect of an electric field on DPPC GUV depends on the lipid membrane state: in the liquid crystalline phase the created pores have a cylinder-like shape, whereas in the gel phase a crack has been observed. The aim of the study was to investigate the geometry of pores created in a lipid bilayer in gel and liquid crystalline phases in reference to literature experimental data. A mathematical model of the pore in a DPPC lipid bilayer developed based on the law of conservation of mass and the assumption of constant volume of lipid molecules, independent of their conformation, allows for analysis of pore shape and accompanying molecular rearrangements. The membrane area occupied by the pore of a cylinder-like shape is greater than the membrane area occupied by lipid molecules creating the pore structure (before pore appearance). Creation of such pores requires more space, which can be achieved by conformational changes of lipid chains toward a more compact state. This process is impossible for a membrane in the most compact, gel phase. We show that the geometry of the pores formed in the lipid bilayer in the gel phase must be different from the cylinder shape formed in the lipid bilayer in a liquid crystalline state, confirming experimental studies. Furthermore, we characterize the occurrence of the 'buffer' zone surrounding pores in the liquid crystalline phase as a mechanism of separation of neighbouring pores.
Computational modelling in fluid mechanics
International Nuclear Information System (INIS)
Hauguel, A.
1985-01-01
The modelling of the greatest part of environmental or industrial flow problems gives very similar types of equations. The considerable increase in computing capacity over the last ten years consequently allowed numerical models of growing complexity to be processed. The varied group of computer codes presented are now a complementary tool of experimental facilities to achieve studies in the field of fluid mechanics. Several codes applied in the nuclear field (reactors, cooling towers, exchangers, plumes...) are presented among others [fr
SANS study of the unilamellar DMPC vesicles. The fluctuation model of lipid bilayer
International Nuclear Information System (INIS)
Kiselev, M.A.; Zemlyanaya, E.V.; Vinod, A.
2003-01-01
On the basis of the separated form-factors model, parameters of the polydispersed unilamellar DMPC vesicle population are analyzed. The neutron scattering length density across the membrane is simulated on the basis of fluctuated model of lipid bilayer. The hydration of vesicle is described by sigmoid distribution function of the water molecules. The results of fitting of the experimental data obtained at the small angle spectrometer SANS-I, PSI (Switzerland) are: average vesicle radius 272±0.4 Armstrong, polydispersity of the radius 27 %, membrane thickness 50.6± Armstrong, thickness of hydrocarbon chain region 21.4±2.8 Armstrong, number of water molecules located per lipid molecule 13±1, and DMPC surface area 59±2 Armstrong 2 . The calculated water distribution function across the bilayer directly explains why lipid membrane is easy penetrated by water molecules
Molecular modeling of proteinlike inclusions in lipid bilayers: lipid-mediated interactions.
Kik, Richard A; Leermakers, Frans A M; Kleijn, J Mieke
2010-02-01
We investigated the insertion of transmembrane structures in a lipid bilayer and their interactions using self-consistent field theory. The lipids are coarse-grained on a united-atom level and consist of a phosphatidylcholinelike headgroup and two hydrophobic tails. The inclusions, acting as simple models for proteins that span biological membranes, are rigid rods (radius R ) with a hydrophobic surface and hydrophilic end caps. The insertion free energy Omega of an individual rod is strongly regulated by the affinity between its hydrophobic surface and the lipid tails. This affinity also controls the best match of the hydrophobic length of the rod with that of the bilayer. The line tension tau(=Omega/2piR) is practically independent of R . The perturbations in the bilayer as a function of distance from the inclusion, have the shape of a damped oscillation. The wavelength and decay length are related to the elastic properties of the bilayer and do not depend on R . These results are used to analyze how the lipid matrix affects the interaction between transmembrane objects, for computational reasons considering the limit of R-->infinity . Contributions on different length scales can be distinguished: (i) a long-range elastic interaction, which is an exponentially decaying oscillation; (ii) an exponentially decaying repulsion on an intermediate length scale, resulting from the loss of conformational entropy of the lipid tails; and (iii) a short-range interaction due to the finite compressibility of the lipid tails, which manifests either as a depletion attraction if there is no affinity between the tails and the inclusions' surface or, otherwise, as an oscillatory structural force.
Complex fluids modeling and algorithms
Saramito, Pierre
2016-01-01
This book presents a comprehensive overview of the modeling of complex fluids, including many common substances, such as toothpaste, hair gel, mayonnaise, liquid foam, cement and blood, which cannot be described by Navier-Stokes equations. It also offers an up-to-date mathematical and numerical analysis of the corresponding equations, as well as several practical numerical algorithms and software solutions for the approximation of the solutions. It discusses industrial (molten plastics, forming process), geophysical (mud flows, volcanic lava, glaciers and snow avalanches), and biological (blood flows, tissues) modeling applications. This book is a valuable resource for undergraduate students and researchers in applied mathematics, mechanical engineering and physics.
Modeling Kinetics of Distortion in Porous Bi-layered Structures
DEFF Research Database (Denmark)
Tadesse Molla, Tesfaye; Frandsen, Henrik Lund; Bjørk, Rasmus
2013-01-01
because of different sintering rates of the materials resulting in undesired distortions of the component. An analytical model based on the continuum theory of sintering has been developed to describe the kinetics of densification and distortion in the sintering processes. A new approach is used...... to extract the material parameters controlling shape distortion through optimizing the model to experimental data of free shrinkage strains. The significant influence of weight of the sample (gravity) on the kinetics of distortion is taken in to consideration. The modeling predictions indicate good agreement...
Kitt, Jay P; Bryce, David A; Minteer, Shelley D; Harris, Joel M
2018-06-05
The phospholipid-water partition coefficient is a commonly measured parameter that correlates with drug efficacy, small-molecule toxicity, and accumulation of molecules in biological systems in the environment. Despite the utility of this parameter, methods for measuring phospholipid-water partition coefficients are limited. This is due to the difficulty of making quantitative measurements in vesicle membranes or supported phospholipid bilayers, both of which are small-volume phases that challenge the sensitivity of many analytical techniques. In this work, we employ in situ confocal Raman microscopy to probe the partitioning of a model membrane-active compound, 2-(4-isobutylphenyl) propionic acid or ibuprofen, into both hybrid- and supported-phospholipid bilayers deposited on the pore walls of individual chromatographic particles. The large surface-area-to-volume ratio of chromatographic silica allows interrogation of a significant lipid bilayer area within a very small volume. The local phospholipid concentration within a confocal probe volume inside the particle can be as high as 0.5 M, which overcomes the sensitivity limitations of making measurements in the limited membrane areas of single vesicles or planar supported bilayers. Quantitative determination of ibuprofen partitioning is achieved by using the phospholipid acyl-chains of the within-particle bilayer as an internal standard. This approach is tested for measurements of pH-dependent partitioning of ibuprofen into both hybrid-lipid and supported-lipid bilayers within silica particles, and the results are compared with octanol-water partitioning and with partitioning into individual optically trapped phospholipid vesicle membranes. Additionally, the impact of ibuprofen partitioning on bilayer structure is evaluated for both within-particle model membranes and compared with the structural impacts of partitioning into vesicle lipid bilayers.
Energy Technology Data Exchange (ETDEWEB)
Honerkamp, Carsten [Institute for Theoretical Solid State Physics, RWTH Aachen University (Germany); JARA - Fundamentals of Future Information Technology, Aachen (Germany)
2017-11-15
We investigate the impact of electron self-energy corrections on potential antiferromagnetic ordering instabilities in mono- and bilayer graphene, modeled by a Hubbard-type lattice model with onsite interactions among the electrons, using a self-consistent random phase approximation (RPA). In qualitative agreement with earlier studies we find that the electronic interactions cause non-Fermi liquid behavior at low energies. In self-consistent RPA, the transition scales for antiferromagnetic ordering are renormalized significantly by these self-energy effects, both for interaction-driven and temperature-driven cases. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Standardization of Thermo-Fluid Modeling in Modelica.Fluid
Energy Technology Data Exchange (ETDEWEB)
Franke, Rudiger; Casella, Francesco; Sielemann, Michael; Proelss, Katrin; Otter, Martin; Wetter, Michael
2009-09-01
This article discusses the Modelica.Fluid library that has been included in the Modelica Standard Library 3.1. Modelica.Fluid provides interfaces and basic components for the device-oriented modeling of onedimensional thermo-fluid flow in networks containing vessels, pipes, fluid machines, valves and fittings. A unique feature of Modelica.Fluid is that the component equations and the media models as well as pressure loss and heat transfer correlations are decoupled from each other. All components are implemented such that they can be used for media from the Modelica.Media library. This means that an incompressible or compressible medium, a single or a multiple substance medium with one or more phases might be used with one and the same model as long as the modeling assumptions made hold. Furthermore, trace substances are supported. Modeling assumptions can be configured globally in an outer System object. This covers in particular the initialization, uni- or bi-directional flow, and dynamic or steady-state formulation of mass, energy, and momentum balance. All assumptions can be locally refined for every component. While Modelica.Fluid contains a reasonable set of component models, the goal of the library is not to provide a comprehensive set of models, but rather to provide interfaces and best practices for the treatment of issues such as connector design and implementation of energy, mass and momentum balances. Applications from various domains are presented.
International Nuclear Information System (INIS)
Chandra, V.K.; Chandra, B.P.; Tiwari, M.; Baghel, R.N.; Ramrakhiani, M.
2012-01-01
expressions are derived for the transient EL intensity I, time t m and intensity I m corresponding to the peak of EL overshoot, total EL intensity I t and decay of the intensity of EL overshoot. In fact, the decay prior to the onset of EL overshoot is the decay of number of electrons moving in the electron transporting states. The ratio I m /I s decreases with increasing value of the applied pulse voltage because I m increases linearly with the amplitude of applied voltage pulse and I s increases nonlinearly and rapidly with the increasing amplitude of applied voltage pulse. The lifetime τ t of electrons at the interface decreases with increasing temperature whereby the dependence of τ t on temperature follows Arrhenius plot. This fact indicates that the detrapping involves thermally-assisted tunneling of electrons. Using the EL overshoot in bilayer OLEDs, the lifetime of the charge carriers at the interface, recombination time of charge carriers, decay time of the EL prior to onset of overshoot, and the time delay between the voltage pulse and onset time of the EL overshoot can be determined. The intense EL overshoot of nanosecond or shorter time duration may be useful in digital communication, and moreover, the EL overshoot gives important information about the processes involving injection, transport and recombination of charge carriers. The criteria for appearance of EL overshoot in bilayer OLEDs are explored. A good agreement is found between the theoretical and experimental results. - Highlights: ► Modeling is done for transient electroluminescence overshoot in bilayer OLEDs. ► Overshoot in spin-coated bilayer OLEDs is caused by the presence of an interfacial layer. ► Expressions are derived for the transient EL intensity and decay of EL in OLEDs. ► A good agreement is found between the theoretical and experimental results.
Meneses-Juárez, Efrain; Rivas-Silva, Juan Francisco; González-Melchor, Minerva
2018-05-01
The water confined within a surfactant bilayer is studied using different water models via molecular dynamics simulations. We considered four representative rigid models of water: the SPC/E and the TIP4P/2005, which are commonly used in numerical calculations and the more recent TIP4Q and SPC/ε models, developed to reproduce the dielectric behaviour of pure water. The static dielectric constant of the confined water was analyzed as a function of the temperature for the four models. In all cases it decreases as the temperature increases. Additionally, the static dielectric constant of the bilayer-water system was estimated through its expression in terms of the fluctuations in the total dipole moment, usually applied for isotropic systems. The estimated dielectric was compared with the available experimental data. We found that the TIP4Q and the SPC/ε produce closer values to the experimental data than the other models, particularly at room temperature. It was found that the probability of finding the sodium ion close to the head of the surfactant decreases as the temperature increases, thus the head of the surfactant is more exposed to the interaction with water when the temperature is higher.
Huzil, J. Torin; Sivaloganathan, Siv; Kohandel, Mohammad; Foldvari, Marianna
2011-11-01
The advancement of dermal and transdermal drug delivery requires the development of delivery systems that are suitable for large protein and nucleic acid-based therapeutic agents. However, a complete mechanistic understanding of the physical barrier properties associated with the epidermis, specifically the membrane structures within the stratum corneum, has yet to be developed. Here, we describe the assembly and computational modeling of stratum corneum lipid bilayers constructed from varying ratios of their constituent lipids (ceramide, free fatty acids and cholesterol) to determine if there is a difference in the physical properties of stratum corneum compositions.
Threshold voltage roll-off modelling of bilayer graphene field-effect transistors
International Nuclear Information System (INIS)
Saeidmanesh, M; Ismail, Razali; Khaledian, M; Karimi, H; Akbari, E
2013-01-01
An analytical model is presented for threshold voltage roll-off of double gate bilayer graphene field-effect transistors. To this end, threshold voltage models of short- and long-channel states have been developed. In the short-channel case, front and back gate potential distributions have been modelled and used. In addition, the tunnelling probability is modelled and its effect is taken into consideration in the potential distribution model. To evaluate the accuracy of the potential model, FlexPDE software is employed with proper boundary conditions and a good agreement is observed. Using the proposed models, the effect of several structural parameters on the threshold voltage and its roll-off are studied at room temperature. (paper)
Bischel, Lauren L; Coneski, Peter N; Lundin, Jeffrey G; Wu, Peter K; Giller, Carl B; Wynne, James; Ringeisen, Brad R; Pirlo, Russell K
2016-04-01
Gaining a greater understanding of the blood-brain barrier (BBB) is critical for improvement in drug delivery, understanding pathologies that compromise the BBB, and developing therapies to protect the BBB. In vitro human tissue models are valuable tools for studying these issues. The standard in vitro BBB models use commercially available cell culture inserts to generate bilayer co-cultures of astrocytes and endothelial cells (EC). Electrospinning can be used to produce customized cell culture substrates with optimized material composition and mechanical properties with advantages over off-the-shelf materials. Electrospun gelatin is an ideal cell culture substrate because it is a natural polymer that can aid cell attachment and be modified and degraded by cells. Here, we have developed a method to produce cell culture inserts with electrospun gelatin "biopaper" membranes. The electrospun fiber diameter and cross-linking method were optimized for the growth of primary human endothelial cell and primary human astrocyte bilayer co-cultures to model human BBB tissue. BBB co-cultures on biopaper were characterized via cell morphology, trans-endothelial electrical resistance (TEER), and permeability to FITC-labeled dextran and compared to BBB co-cultures on standard cell culture inserts. Over longer culture periods (up to 21 days), cultures on the optimized electrospun gelatin biopapers were found to have improved TEER, decreased permeability, and permitted a smaller separation between co-cultured cells when compared to standard PET inserts. © 2016 Wiley Periodicals, Inc.
Linking lipid architecture to bilayer structure and mechanics using self-consistent field modelling
Energy Technology Data Exchange (ETDEWEB)
Pera, H.; Kleijn, J. M.; Leermakers, F. A. M., E-mail: Frans.leermakers@wur.nl [Laboratory of Physical Chemistry and Colloid Science, Wageningen University, Dreijenplein 6, 6307 HB Wageningen (Netherlands)
2014-02-14
To understand how lipid architecture determines the lipid bilayer structure and its mechanics, we implement a molecularly detailed model that uses the self-consistent field theory. This numerical model accurately predicts parameters such as Helfrichs mean and Gaussian bending modulus k{sub c} and k{sup ¯} and the preferred monolayer curvature J{sub 0}{sup m}, and also delivers structural membrane properties like the core thickness, and head group position and orientation. We studied how these mechanical parameters vary with system variations, such as lipid tail length, membrane composition, and those parameters that control the lipid tail and head group solvent quality. For the membrane composition, negatively charged phosphatidylglycerol (PG) or zwitterionic, phosphatidylcholine (PC), and -ethanolamine (PE) lipids were used. In line with experimental findings, we find that the values of k{sub c} and the area compression modulus k{sub A} are always positive. They respond similarly to parameters that affect the core thickness, but differently to parameters that affect the head group properties. We found that the trends for k{sup ¯} and J{sub 0}{sup m} can be rationalised by the concept of Israelachivili's surfactant packing parameter, and that both k{sup ¯} and J{sub 0}{sup m} change sign with relevant parameter changes. Although typically k{sup ¯}<0, membranes can form stable cubic phases when the Gaussian bending modulus becomes positive, which occurs with membranes composed of PC lipids with long tails. Similarly, negative monolayer curvatures appear when a small head group such as PE is combined with long lipid tails, which hints towards the stability of inverse hexagonal phases at the cost of the bilayer topology. To prevent the destabilisation of bilayers, PG lipids can be mixed into these PC or PE lipid membranes. Progressive loading of bilayers with PG lipids lead to highly charged membranes, resulting in J{sub 0}{sup m}≫0, especially at low ionic
Brinkman, Daniel
2013-05-01
We present and discuss a mathematical model for the operation of bilayer organic photovoltaic devices. Our model couples drift-diffusion-recombination equations for the charge carriers (specifically, electrons and holes) with a reaction-diffusion equation for the excitons/polaron pairs and Poisson\\'s equation for the self-consistent electrostatic potential. The material difference (i.e. the HOMO/LUMO gap) of the two organic substrates forming the bilayer device is included as a work-function potential. Firstly, we perform an asymptotic analysis of the scaled one-dimensional stationary state system: (i) with focus on the dynamics on the interface and (ii) with the goal of simplifying the bulk dynamics away from the interface. Secondly, we present a two-dimensional hybrid discontinuous Galerkin finite element numerical scheme which is very well suited to resolve: (i) the material changes, (ii) the resulting strong variation over the interface, and (iii) the necessary upwinding in the discretization of drift-diffusion equations. Finally, we compare the numerical results with the approximating asymptotics. © 2013 World Scientific Publishing Company.
Mesoscale Models of Fluid Dynamics
Boghosian, Bruce M.; Hadjiconstantinou, Nicolas G.
During the last half century, enormous progress has been made in the field of computational materials modeling, to the extent that in many cases computational approaches are used in a predictive fashion. Despite this progress, modeling of general hydrodynamic behavior remains a challenging task. One of the main challenges stems from the fact that hydrodynamics manifests itself over a very wide range of length and time scales. On one end of the spectrum, one finds the fluid's "internal" scale characteristic of its molecular structure (in the absence of quantum effects, which we omit in this chapter). On the other end, the "outer" scale is set by the characteristic sizes of the problem's domain. The resulting scale separation or lack thereof as well as the existence of intermediate scales are key to determining the optimal approach. Successful treatments require a judicious choice of the level of description which is a delicate balancing act between the conflicting requirements of fidelity and manageable computational cost: a coarse description typically requires models for underlying processes occuring at smaller length and time scales; on the other hand, a fine-scale model will incur a significantly larger computational cost.
Modelling of magneto-acoustic resonance in ferrite-piezoelectric bilayers
Energy Technology Data Exchange (ETDEWEB)
Bichurin, M I; Petrov, V M; Averkin, S V; Filippov, A V [Institute for Electronic Information Systems, Novgorod State University, Veliky Novgorod 173003 (Russian Federation); Liverts, E [Department of Physics, Ben-Gurion University of the Negev, Beersheva 84105 (Israel); Mandal, S; Srinivasan, G [Physics Department, Oakland University, Rochester, MI 48309 (United States)
2009-11-07
A model is discussed for magnetoelectric (ME) effects in a single-crystal ferrite-piezoelectric bilayer on a substrate. The specific focus is on coupling at magneto-acoustic resonance (MAR) at the coincidence of ferromagnetic resonance in the ferrite and thickness modes of the electromechanical resonance in the piezoelectric. The clamping effect of the substrate has been considered in determining the ME voltage coefficient and applied to a model system of a bilayer of lead zirconate titanate (PZT) and yttrium iron garnet (YIG) on a gadolinium gallium garnet substrate. The theory predicts a giant ME effect at MAR due to interaction and transfer of energy between elastic modes and the uniform precession spin-wave mode. It is shown that the ME coupling strength decreases with increasing substrate thickness. Estimates for YIG-PZT for nominal film parameters predict MAR at 5 GHz and ME coefficients on the order of 5-70 V cm{sup -1} Oe{sup -1}. The phenomenon is of importance for the realization of multifunctional ME sensors and transducers operating at microwave frequencies.
Kuć, Marta; Cieślik-Boczula, Katarzyna; Rospenk, Maria
2018-06-01
The influence of cholesterol on the structure of the model lipid bilayers treated with inhalation anesthetics (enflurane, isoflurane, sevoflurane and halothane) was investigated employing near-infrared (NIR) spectroscopy combined with the Principal Component Analysis (PCA). The conformational changes occurring in the hydrophobic area of the lipid bilayers were analyzed using the first overtones of symmetric (2νs) and antisymmetric (2νas) stretching vibrations of the CH2 groups of lipid aliphatic chains. The temperature values of chain-melting phase transition (Tm) of anesthetic-mixed dipalmitoylphosphatidylcholine (DPPC)/cholesterol and dipalmitoylphosphatidylglycerol (DPPG)/cholesterol membranes, which were obtained from the PCA analysis, were compared with cholesterol-free DPPC and DPPG bilayers mixed with inhalation anesthetics.
International Nuclear Information System (INIS)
Richter, Andrew; Dergunov, Sergey; Ganus, Bill; Thomas, Zachary; Pingali, Sai Venkatesh; Urban, Volker S.; Liu, Yun; Porcar, Lionel; Pinkhassik, Eugene
2011-01-01
Hydrophobic monomers partially phase separate from saturated lipids when loaded into lipid bilayers in amounts exceeding a 1:1 monomer/lipid molar ratio. This conclusion is based on the agreement between two independent methods of examining the structure of monomer-loaded bilayers. Complete phase separation of monomers from lipids would result in an increase in bilayer thickness and a slight increase in the diameter of liposomes. A homogeneous distribution of monomers within the bilayer would not change the bilayer thickness and would lead to an increase in the liposome diameter. The increase in bilayer thickness, measured by the combination of small-angle neutron scattering (SANS) and small-angle X-ray scattering (SAXS), was approximately half of what was predicted for complete phase separation. The increase in liposome diameter, measured by dynamic light scattering (DLS), was intermediate between values predicted for a homogeneous distribution and complete phase separation. Combined SANS, SAXS, and DLS data suggest that at a 1.2 monomer/lipid ratio approximately half of the monomers are located in an interstitial layer sandwiched between lipid sheets. These results expand our understanding of using self-assembled bilayers as scaffolds for the directed covalent assembly of organic nanomaterials. In particular, the partial phase separation of monomers from lipids corroborates the successful creation of nanothin polymer materials with uniform imprinted nanopores. Pore-forming templates do not need to span the lipid bilayer to create a pore in the bilayer-templated films.
Martins, Danubia Batista; Nasário, Fábio Domingues; Silva-Gonçalves, Laiz Costa; de Oliveira Tiera, Vera Aparecida; Arcisio-Miranda, Manoel; Tiera, Marcio José; Dos Santos Cabrera, Marcia Perez
2018-02-01
The antimicrobial activity of chitosan and derivatives to human and plant pathogens represents a high-valued prospective market. Presently, two low molecular weight derivatives, endowed with hydrophobic and cationic character at different ratios were synthesized and characterized. They exhibit antimicrobial activity and increased performance in relation to the intermediate and starting compounds. However, just the derivative with higher cationic character showed cytotoxicity towards human cervical carcinoma cells. Considering cell membranes as targets, the mode of action was investigated through the interaction with model lipid vesicles mimicking bacterial, tumoral and erythrocyte membranes. Intense lytic activity and binding are demonstrated for both derivatives in anionic bilayers. The less charged compound exhibits slightly improved selectivity towards bacterial model membranes, suggesting that balancing its hydrophobic/hydrophilic character may improve efficiency. Observing the aggregation of vesicles, we hypothesize that the "charge cluster mechanism", ascribed to some antimicrobial peptides, could be applied to these chitosan derivatives. Copyright © 2017 Elsevier Ltd. All rights reserved.
Directory of Open Access Journals (Sweden)
Chen Chong
2011-01-01
Full Text Available Abstract The photocurrent in bilayer polymer photovoltaic cells is dominated by the exciton dissociation efficiency at donor/acceptor interface. An analytical model is developed for the photocurrent-voltage characteristics of the bilayer polymer/TiO2 photovoltaic cells. The model gives an analytical expression for the exciton dissociation efficiency at the interface, and explains the dependence of the photocurrent of the devices on the internal electric field, the polymer and TiO2 layer thicknesses. Bilayer polymer/TiO2 cells consisting of poly[2-methoxy-5-(2-ethylhexyloxy-1,4-phenylenevinylene] (MEH-PPV and TiO2, with different thicknesses of the polymer and TiO2 films, were prepared for experimental purposes. The experimental results for the prepared bilayer MEH-PPV/TiO2 cells under different conditions are satisfactorily fitted to the model. Results show that increasing TiO2 or the polymer layer in thickness will reduce the exciton dissociation efficiency in the device and further the photocurrent. It is found that the photocurrent is determined by the competition between the exciton dissociation and charge recombination at the donor/acceptor interface, and the increase in photocurrent under a higher incident light intensity is due to the increased exciton density rather than the increase in the exciton dissociation efficiency.
Energy Technology Data Exchange (ETDEWEB)
Mustafa, Ghulam, E-mail: Ghulam.Mustafa@h-its.org, E-mail: rebecca.wade@h-its.org; Nandekar, Prajwal P.; Yu, Xiaofeng [Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS), Schloß-Wolfsbrunnenweg 35, 69118 Heidelberg (Germany); Wade, Rebecca C., E-mail: Ghulam.Mustafa@h-its.org, E-mail: rebecca.wade@h-its.org [Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS), Schloß-Wolfsbrunnenweg 35, 69118 Heidelberg (Germany); Zentrum für Molekulare Biologie der Universität Heidelberg, DKFZ-ZMBH Alliance, INF 282, 69120 Heidelberg (Germany); Interdisciplinary Center for Scientific Computing (IWR), Heidelberg University, INF 368, 69120 Heidelberg (Germany)
2015-12-28
An important step in the simulation of a membrane protein in a phospholipid bilayer is the correct immersion of the protein in the bilayer. Crystal structures are determined without the bilayer. Particularly for proteins with monotopic domains, it can be unclear how deeply and in which orientation the protein is being inserted in the membrane. We have previously developed a procedure combining coarse-grain (CG) with all-atom (AA) molecular dynamics (MD) simulations to insert and simulate a cytochrome P450 (CYP) possessing an N-terminal transmembrane helix connected by a flexible linker region to a globular domain that dips into the membrane. The CG simulations provide a computationally efficient means to explore different orientations and conformations of the CYP in the membrane. Converged configurations obtained in the CG simulations are then refined in AA simulations. Here, we tested different variants of the MARTINI CG model, differing in the water model, the treatment of long-range non-bonded interactions, and the implementation (GROMACS 4.5.5 vs 5.0.4), for this purpose. We examined the behavior of the models for simulating a 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) bilayer in water and for the immersion of CYP3A4 in a POPC bilayer, and compared the CG-MD results with the previously reported experimental and simulation results. We also tested the methodology on a set of four other CYPs. Finally, we propose an optimized protocol for modeling such protein-membrane systems that provides the most plausible configurations and is computationally efficient; this incorporates the standard non-polar water model and the GROMACS 5.0.4 implementation with a reaction field treatment of long-range interactions.
International Nuclear Information System (INIS)
Mustafa, Ghulam; Nandekar, Prajwal P.; Yu, Xiaofeng; Wade, Rebecca C.
2015-01-01
An important step in the simulation of a membrane protein in a phospholipid bilayer is the correct immersion of the protein in the bilayer. Crystal structures are determined without the bilayer. Particularly for proteins with monotopic domains, it can be unclear how deeply and in which orientation the protein is being inserted in the membrane. We have previously developed a procedure combining coarse-grain (CG) with all-atom (AA) molecular dynamics (MD) simulations to insert and simulate a cytochrome P450 (CYP) possessing an N-terminal transmembrane helix connected by a flexible linker region to a globular domain that dips into the membrane. The CG simulations provide a computationally efficient means to explore different orientations and conformations of the CYP in the membrane. Converged configurations obtained in the CG simulations are then refined in AA simulations. Here, we tested different variants of the MARTINI CG model, differing in the water model, the treatment of long-range non-bonded interactions, and the implementation (GROMACS 4.5.5 vs 5.0.4), for this purpose. We examined the behavior of the models for simulating a 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) bilayer in water and for the immersion of CYP3A4 in a POPC bilayer, and compared the CG-MD results with the previously reported experimental and simulation results. We also tested the methodology on a set of four other CYPs. Finally, we propose an optimized protocol for modeling such protein-membrane systems that provides the most plausible configurations and is computationally efficient; this incorporates the standard non-polar water model and the GROMACS 5.0.4 implementation with a reaction field treatment of long-range interactions
Energy Technology Data Exchange (ETDEWEB)
Chandra, V.K. [Department of Electrical and Electronics Engineering, Chhatrapati Shivaji Institute of Technology, Shivaji Nagar, Kolihapuri, Durg 491001 (C.G.) (India); Chandra, B.P., E-mail: bpchandra4@yahoo.co.in [Department of Applied Physics, Ashoka Institute of Technology and Management, Rajnandgaon 491441 (C.G.) (India); Tiwari, M. [Department of Postgraduate Studies and Research in Physics and Electronics, Rani Durgavati University, Jabalpur 482001 (M.P.) (India); Baghel, R.N. [School of Studies in Physics and Astrophysics, Pt. Ravishankar Shukla University, Raipur 492010 (C.G.) (India); Ramrakhiani, M. [Department of Postgraduate Studies and Research in Physics and Electronics, Rani Durgavati University, Jabalpur 482001 (M.P.) (India)
2012-06-15
expressions are derived for the transient EL intensity I, time t{sub m} and intensity I{sub m} corresponding to the peak of EL overshoot, total EL intensity I{sub t} and decay of the intensity of EL overshoot. In fact, the decay prior to the onset of EL overshoot is the decay of number of electrons moving in the electron transporting states. The ratio I{sub m}/I{sub s} decreases with increasing value of the applied pulse voltage because I{sub m} increases linearly with the amplitude of applied voltage pulse and I{sub s} increases nonlinearly and rapidly with the increasing amplitude of applied voltage pulse. The lifetime {tau}{sub t} of electrons at the interface decreases with increasing temperature whereby the dependence of {tau}{sub t} on temperature follows Arrhenius plot. This fact indicates that the detrapping involves thermally-assisted tunneling of electrons. Using the EL overshoot in bilayer OLEDs, the lifetime of the charge carriers at the interface, recombination time of charge carriers, decay time of the EL prior to onset of overshoot, and the time delay between the voltage pulse and onset time of the EL overshoot can be determined. The intense EL overshoot of nanosecond or shorter time duration may be useful in digital communication, and moreover, the EL overshoot gives important information about the processes involving injection, transport and recombination of charge carriers. The criteria for appearance of EL overshoot in bilayer OLEDs are explored. A good agreement is found between the theoretical and experimental results. - Highlights: Black-Right-Pointing-Pointer Modeling is done for transient electroluminescence overshoot in bilayer OLEDs. Black-Right-Pointing-Pointer Overshoot in spin-coated bilayer OLEDs is caused by the presence of an interfacial layer. Black-Right-Pointing-Pointer Expressions are derived for the transient EL intensity and decay of EL in OLEDs. Black-Right-Pointing-Pointer A good agreement is found between the theoretical and
Advances in fluid modeling and turbulence measurements
International Nuclear Information System (INIS)
Wada, Akira; Ninokata, Hisashi; Tanaka, Nobukazu
2002-01-01
The context of this book consists of four fields: Environmental Fluid Mechanics; Industrial Fluid Mechanics; Fundamentals of Fluid Mechanics; and Turbulence Measurements. Environmental Fluid Mechanics includes free surface flows in channels, rivers, seas, and estuaries. It also discusses wind engineering issues, ocean circulation model and dispersion problems in atmospheric, water and ground water environments. In Industrial Fluid Mechanics, fluid phenomena in energy exchanges, modeling of turbulent two- or multi-phase flows, swirling flows, flows in combustors, variable density flows and reacting flows, flows in turbo-machines, pumps and piping systems, and fluid-structure interaction are discussed. In Fundamentals of Fluid Mechanics, progress in modeling turbulent flows and heat/mass transfers, computational fluid dynamics/numerical techniques, parallel computing algorithms, applications of chaos/fractal theory in turbulence are reported. In Turbulence Measurements, experimental studies of turbulent flows, experimental and post-processing techniques, quantitative and qualitative flow visualization techniques are discussed. Separate abstracts were presented for 15 of the papers in this issue. The remaining 89 were considered outside the subject scope of INIS. (J.P.N.)
Hamiltonian closures in fluid models for plasmas
Tassi, Emanuele
2017-11-01
This article reviews recent activity on the Hamiltonian formulation of fluid models for plasmas in the non-dissipative limit, with emphasis on the relations between the fluid closures adopted for the different models and the Hamiltonian structures. The review focuses on results obtained during the last decade, but a few classical results are also described, in order to illustrate connections with the most recent developments. With the hope of making the review accessible not only to specialists in the field, an introduction to the mathematical tools applied in the Hamiltonian formalism for continuum models is provided. Subsequently, we review the Hamiltonian formulation of models based on the magnetohydrodynamics description, including those based on the adiabatic and double adiabatic closure. It is shown how Dirac's theory of constrained Hamiltonian systems can be applied to impose the incompressibility closure on a magnetohydrodynamic model and how an extended version of barotropic magnetohydrodynamics, accounting for two-fluid effects, is amenable to a Hamiltonian formulation. Hamiltonian reduced fluid models, valid in the presence of a strong magnetic field, are also reviewed. In particular, reduced magnetohydrodynamics and models assuming cold ions and different closures for the electron fluid are discussed. Hamiltonian models relaxing the cold-ion assumption are then introduced. These include models where finite Larmor radius effects are added by means of the gyromap technique, and gyrofluid models. Numerical simulations of Hamiltonian reduced fluid models investigating the phenomenon of magnetic reconnection are illustrated. The last part of the review concerns recent results based on the derivation of closures preserving a Hamiltonian structure, based on the Hamiltonian structure of parent kinetic models. Identification of such closures for fluid models derived from kinetic systems based on the Vlasov and drift-kinetic equations are presented, and
Geometrical approach to fluid models
International Nuclear Information System (INIS)
Kuvshinov, B.N.; Schep, T.J.
1997-01-01
Differential geometry based upon the Cartan calculus of differential forms is applied to investigate invariant properties of equations that describe the motion of continuous media. The main feature of this approach is that physical quantities are treated as geometrical objects. The geometrical notion of invariance is introduced in terms of Lie derivatives and a general procedure for the construction of local and integral fluid invariants is presented. The solutions of the equations for invariant fields can be written in terms of Lagrange variables. A generalization of the Hamiltonian formalism for finite-dimensional systems to continuous media is proposed. Analogously to finite-dimensional systems, Hamiltonian fluids are introduced as systems that annihilate an exact two-form. It is shown that Euler and ideal, charged fluids satisfy this local definition of a Hamiltonian structure. A new class of scalar invariants of Hamiltonian fluids is constructed that generalizes the invariants that are related with gauge transformations and with symmetries (Noether). copyright 1997 American Institute of Physics
Fluid Methods for Modeling Large, Heterogeneous Networks
National Research Council Canada - National Science Library
Towsley, Don; Gong, Weibo; Hollot, Kris; Liu, Yong; Misra, Vishal
2005-01-01
.... The resulting fluid models were used to develop novel active queue management mechanisms resulting in more stable TCP performance and novel rate controllers for the purpose of providing minimum rate...
Theoretical models for supercritical fluid extraction.
Huang, Zhen; Shi, Xiao-Han; Jiang, Wei-Juan
2012-08-10
For the proper design of supercritical fluid extraction processes, it is essential to have a sound knowledge of the mass transfer mechanism of the extraction process and the appropriate mathematical representation. In this paper, the advances and applications of kinetic models for describing supercritical fluid extraction from various solid matrices have been presented. The theoretical models overviewed here include the hot ball diffusion, broken and intact cell, shrinking core and some relatively simple models. Mathematical representations of these models have been in detail interpreted as well as their assumptions, parameter identifications and application examples. Extraction process of the analyte solute from the solid matrix by means of supercritical fluid includes the dissolution of the analyte from the solid, the analyte diffusion in the matrix and its transport to the bulk supercritical fluid. Mechanisms involved in a mass transfer model are discussed in terms of external mass transfer resistance, internal mass transfer resistance, solute-solid interactions and axial dispersion. The correlations of the external mass transfer coefficient and axial dispersion coefficient with certain dimensionless numbers are also discussed. Among these models, the broken and intact cell model seems to be the most relevant mathematical model as it is able to provide realistic description of the plant material structure for better understanding the mass-transfer kinetics and thus it has been widely employed for modeling supercritical fluid extraction of natural matters. Copyright © 2012 Elsevier B.V. All rights reserved.
Linking lipid architecture to bilayer structure and mechanics using self-consistent field modelling
International Nuclear Information System (INIS)
Pera, H.; Kleijn, J. M.; Leermakers, F. A. M.
2014-01-01
To understand how lipid architecture determines the lipid bilayer structure and its mechanics, we implement a molecularly detailed model that uses the self-consistent field theory. This numerical model accurately predicts parameters such as Helfrichs mean and Gaussian bending modulus k c and k ¯ and the preferred monolayer curvature J 0 m , and also delivers structural membrane properties like the core thickness, and head group position and orientation. We studied how these mechanical parameters vary with system variations, such as lipid tail length, membrane composition, and those parameters that control the lipid tail and head group solvent quality. For the membrane composition, negatively charged phosphatidylglycerol (PG) or zwitterionic, phosphatidylcholine (PC), and -ethanolamine (PE) lipids were used. In line with experimental findings, we find that the values of k c and the area compression modulus k A are always positive. They respond similarly to parameters that affect the core thickness, but differently to parameters that affect the head group properties. We found that the trends for k ¯ and J 0 m can be rationalised by the concept of Israelachivili's surfactant packing parameter, and that both k ¯ and J 0 m change sign with relevant parameter changes. Although typically k ¯ 0 m ≫0, especially at low ionic strengths. We anticipate that these changes lead to unstable membranes as these become vulnerable to pore formation or disintegration into lipid disks
Subterahertz Longitudinal Phonon Modes Propagating in a Lipid Bilayer Immersed in an Aqueous Medium
Zakhvataev, V. E.
2018-04-01
The properties of subterahertz longitudinal acoustic phonon modes in the hydrophobic region of a lipid bilayer immersed in a compressible viscous aqueous medium are investigated theoretically. An approximate expression is obtained for the Mandelstam-Brillouin components of the dynamic structure factor of a bilayer. The analysis is based on a generalized hydrodynamic model of the "two-dimensional lipid bilayer + three-dimensional fluid medium" system, as well as on known sharp estimates for the frequencies and lifetimes of long-wavelength longitudinal acoustic phonons in a free hydrated lipid bilayer and in water, obtained from inelastic X-ray scattering experiments and molecular dynamics simulations. It is shown that, for characteristic values of the parameters of the membrane system, subterahertz longitudinal phonon-like excitations in the hydrophobic part of the bilayer are underdamped. In this case, the contribution of the viscous flow of the aqueous medium to the damping of a longitudinal membrane mode is small compared with the contribution of the lipid bilayer. Quantitative estimates of the damping ratio agree well with the experimental results for the vibration mode of the enzyme lysozyme in aqueous solution [1]. It is also shown that a coupling between longitudinal phonon modes of the bilayer and relaxation processes in its fluid environment gives rise to an additional peak in the scattering spectrum, which corresponds to a non-propagating mode.
A microsphere suspension model of metamaterial fluids
Directory of Open Access Journals (Sweden)
Qian Duan
2017-05-01
Full Text Available Drawing an analogy to the liquid phase of natural materials, we theoretically propose a microsphere suspension model to realize a metamaterial fluid with artificial electromagnetic indexes. By immersing high-ε, micrometer-sized dielectric spheres in a low-ε insulating oil, the structured fluid exhibits liquid-like properties from dispersing phase as well as the isotropic negative electromagnetic parameters caused by Mie resonances from dispersed microspheres. The work presented here will benefit the development of structured fluids toward metamaterials.
Kandelman, A.; Nelson, D. J.
1977-01-01
Simplified mathematical model simulates large hydraulic systems on either analog or digital computers. Models of pumps, servoactuators, reservoirs, accumulators, and valves are connected generating systems containing six hundred elements.
Interfacial Fluid Mechanics A Mathematical Modeling Approach
Ajaev, Vladimir S
2012-01-01
Interfacial Fluid Mechanics: A Mathematical Modeling Approach provides an introduction to mathematical models of viscous flow used in rapidly developing fields of microfluidics and microscale heat transfer. The basic physical effects are first introduced in the context of simple configurations and their relative importance in typical microscale applications is discussed. Then,several configurations of importance to microfluidics, most notably thin films/droplets on substrates and confined bubbles, are discussed in detail. Topics from current research on electrokinetic phenomena, liquid flow near structured solid surfaces, evaporation/condensation, and surfactant phenomena are discussed in the later chapters. This book also: Discusses mathematical models in the context of actual applications such as electrowetting Includes unique material on fluid flow near structured surfaces and phase change phenomena Shows readers how to solve modeling problems related to microscale multiphase flows Interfacial Fluid Me...
Development of a Model Foamy Viscous Fluid
Directory of Open Access Journals (Sweden)
Vial C.
2013-08-01
Full Text Available The objective is to develop a model viscous foamy fluid, i.e. below the very wet limit, the rheological and stability properties of which can be tuned. First, the method used for the preparation of foamy fluids is detailed, including process and formulation. Then, experimental results highlight that stable foamy fluids with a monomodal bubble size distribution can be prepared with a void fraction between 25% and 50% (v/v. Their viscoelastic properties under flow and low-strain oscillatory conditions are shown to result from the interplay between the formulation of the continuous phase, void fraction and bubble size. Their apparent viscosity can be described using the Cross equation and zero-shear Newtonian viscosity may be predicted by a Mooney equation up to a void fraction about 40%. The Cox-Merz and the Laun’s rules apply when the capillary number Ca is lower than 0.1. The upper limit of the zero-shear plateau region decreases when void fraction increases or bubble size decreases. In the shear-thinning region, shear stress varies with Ca1/2, as in wet foams with immobile surfaces. Finally, foamy fluids can be sheared up to Ca about 0.1 without impairing their microstructure. Their stability at rest achieves several hours and increases with void fraction due to compact packing constraints. These constitute, therefore, versatile model fluids to investigate the behaviour of foamy fluids below the very wet limit in process conditions.
Two-fluid hydrodynamic model for semiconductors
DEFF Research Database (Denmark)
Maack, Johan Rosenkrantz; Mortensen, N. Asger; Wubs, Martijn
2018-01-01
The hydrodynamic Drude model (HDM) has been successful in describing the optical properties of metallic nanostructures, but for semiconductors where several different kinds of charge carriers are present an extended theory is required. We present a two-fluid hydrodynamic model for semiconductors...
Vlasov fluid model with electron pressure
International Nuclear Information System (INIS)
Gerwin, R.
1975-11-01
The Vlasov-ion, fluid-electron model of Freidberg for studying the linear stability of hot-ion pinch configurations is here extended to include electron pressure. Within the framework of an adiabatic electron-gas picture, it is shown that this model is still amenable to the numerical methods described by Lewis and Freidberg
Tunneling Plasmonics in Bilayer Graphene.
Fei, Z; Iwinski, E G; Ni, G X; Zhang, L M; Bao, W; Rodin, A S; Lee, Y; Wagner, M; Liu, M K; Dai, S; Goldflam, M D; Thiemens, M; Keilmann, F; Lau, C N; Castro-Neto, A H; Fogler, M M; Basov, D N
2015-08-12
We report experimental signatures of plasmonic effects due to electron tunneling between adjacent graphene layers. At subnanometer separation, such layers can form either a strongly coupled bilayer graphene with a Bernal stacking or a weakly coupled double-layer graphene with a random stacking order. Effects due to interlayer tunneling dominate in the former case but are negligible in the latter. We found through infrared nanoimaging that bilayer graphene supports plasmons with a higher degree of confinement compared to single- and double-layer graphene, a direct consequence of interlayer tunneling. Moreover, we were able to shut off plasmons in bilayer graphene through gating within a wide voltage range. Theoretical modeling indicates that such a plasmon-off region is directly linked to a gapped insulating state of bilayer graphene, yet another implication of interlayer tunneling. Our work uncovers essential plasmonic properties in bilayer graphene and suggests a possibility to achieve novel plasmonic functionalities in graphene few-layers.
Fluid and hybrid models for streamers
Bonaventura, Zdeněk
2016-09-01
Streamers are contracted ionizing waves with self-generated field enhancement that propagate into a low-ionized medium exposed to high electric field leaving filamentary trails of plasma behind. The widely used model to study streamer dynamics is based on drift-diffusion equations for electrons and ions, assuming local field approximation, coupled with Poisson's equation. For problems where presence of energetic electrons become important a fluid approach needs to be extended by a particle model, accompanied also with Monte Carlo Collision technique, that takes care of motion of these electrons. A combined fluid-particle approach is used to study an influence of surface emission processes on a fast-pulsed dielectric barrier discharge in air at atmospheric pressure. It is found that fluid-only model predicts substantially faster reignition dynamics compared to coupled fluid-particle model. Furthermore, a hybrid model can be created in which the population of electrons is divided in the energy space into two distinct groups: (1) low energy `bulk' electrons that are treated with fluid model, and (2) high energy `beam' electrons, followed as particles. The hybrid model is then capable not only to deal with streamer discharges in laboratory conditions, but also allows us to study electron acceleration in streamer zone of lighting leaders. There, the production of fast electrons from streamers is investigated, since these (runaway) electrons act as seeds for the relativistic runaway electron avalanche (RREA) mechanism, important for high-energy atmospheric physics phenomena. Results suggest that high energy electrons effect the streamer propagation, namely the velocity, the peak electric field, and thus also the production rate of runaway electrons. This work has been supported by the Czech Science Foundation research project 15-04023S.
Off-lattice model for the phase behavior of lipid-cholesterol bilayers
DEFF Research Database (Denmark)
Nielsen, Morten; Miao, Ling; Ipsen, John Hjorth
1999-01-01
and previous approximate theories have suggested that cholesterol incorporated into lipid bilayers has different microscopic effects on lipid-chain packing and conformations and that cholesterol thereby leads to decoupling of the two ordering processes, manifested by a special equilibrium phase, "liquid...
3-D modelling of a bilayer heterojunction organic solar cell based on ...
African Journals Online (AJOL)
The thin film multilayer stacking theory is applied to the bilayer heterojunction organic solar cell, with the optical matrix of the Abeles theory leading to new expression of generation rate and density of exciton photogenerated in the organic photoactive layer of CuPc/C60. The excitons density is investigated considering the ...
Study of Charged particles transport across model and real phospholipid bilayers
Czech Academy of Sciences Publication Activity Database
Navrátil, Tomáš; Šestáková, Ivana; Jaklová Dytrtová, Jana; Jakl, M.; Mareček, Vladimír
2010-01-01
Roč. 6, č. 3 (2010), s. 208-219 ISSN 1790-5079 R&D Projects: GA AV ČR IAA400400806 Institutional research plan: CEZ:AV0Z40400503; CEZ:AV0Z40550506 Keywords : phospholipid bilayers * voltammetry * environment Subject RIV: CF - Physical ; Theoretical Chemistry http://www.worldses.org/journals/environment/index.html
Spontaneous adsorption of coiled-coil model peptides K and E to a mixed lipid bilayer.
Pluhackova, Kristyna; Wassenaar, Tsjerk A; Kirsch, Sonja; Böckmann, Rainer A
2015-03-26
A molecular description of the lipid-protein interactions underlying the adsorption of proteins to membranes is crucial for understanding, for example, the specificity of adsorption or the binding strength of a protein to a bilayer, or for characterizing protein-induced changes of membrane properties. In this paper, we extend an automated in silico assay (DAFT) for binding studies and apply it to characterize the adsorption of the model fusion peptides E and K to a mixed phospholipid/cholesterol membrane using coarse-grained molecular dynamics simulations. In addition, we couple the coarse-grained protocol to reverse transformation to atomistic resolution, thereby allowing to study molecular interactions with high detail. The experimentally observed differential binding of the peptides E and K to membranes, as well as the increased binding affinity of helical over unstructered peptides, could be well reproduced using the polarizable Martini coarse-grained (CG) force field. Binding to neutral membranes is shown to be dominated by initial binding of the positively charged N-terminus to the phospholipid headgroup region, followed by membrane surface-aligned insertion of the peptide at the interface between the hydrophobic core of the membrane and its polar headgroup region. Both coarse-grained and atomistic simulations confirm a before hypothesized snorkeling of lysine side chains for the membrane-bound state of the peptide K. Cholesterol was found to be enriched in peptide vicinity, which is probably of importance for the mechanism of membrane fusion. The applied sequential multiscale method, using coarse-grained simulations for the slow adsorption process of peptides to membranes followed by backward transformation to atomistic detail and subsequent atomistic simulations of the preformed peptide-lipid complexes, is shown to be a versatile approach to study the interactions of peptides or proteins with biomembranes.
Landau fluid models of collisionless magnetohydrodynamics
International Nuclear Information System (INIS)
Snyder, P.B.; Hammett, G.W.; Dorland, W.
1997-01-01
A closed set of fluid moment equations including models of kinetic Landau damping is developed which describes the evolution of collisionless plasmas in the magnetohydrodynamic parameter regime. The model is fully electromagnetic and describes the dynamics of both compressional and shear Alfven waves, as well as ion acoustic waves. The model allows for separate parallel and perpendicular pressures p parallel and p perpendicular , and, unlike previous models such as Chew-Goldberger-Low theory, correctly predicts the instability threshold for the mirror instability. Both a simple 3 + 1 moment model and a more accurate 4 + 2 moment model are developed, and both could be useful for numerical simulations of astrophysical and fusion plasmas
Hasatsri, Sukhontha; Angspatt, Apichai
2015-01-01
We developed the novel silk fibroin-based bilayered wound dressing for the treatment of partial thickness wounds. And it showed relevant characteristics and accelerated the healing of full-thickness wounds in a rat model. This study is the clinical evaluation of the bilayered wound dressing to confirm its safety and efficacy for the treatment of split-thickness skin donor sites. The safety test was performed using a patch model and no evidence of marked and severe cutaneous reactions was found. The efficacy test of the bilayered wound dressing was conducted on 23 patients with 30 split-thickness skin graft donor sites to evaluate healing time, pain score, skin barrier function, and systemic reaction in comparison to Bactigras. We found that the healing time of donor site wounds treated with the bilayered wound dressing (11 ± 6 days) was significantly faster than those treated with Bactigras (14 ± 6 days) (p = 10−6). The wound sites treated with the bilayered wound dressing showed significantly less pain and more rapid skin functional barrier recovery than those treated with Bactigras (p = 10−5). Therefore, these results confirmed the clinical safety and efficacy of the bilayered wound dressing for the treatment of split-thickness skin graft donor sites. PMID:26221170
AFDM: An Advanced Fluid-Dynamics Model
International Nuclear Information System (INIS)
Wilhelm, D.
1990-09-01
This volume describes the Advanced Fluid-Dynamics Model (AFDM) for topologies, flow regimes, and interfacial areas. The objective of these models is to provide values for the interfacial areas between all components existing in a computational cell. The interfacial areas are then used to evaluate the mass, energy, and momentum transfer between the components. A new approach has been undertaken in the development of a model to convect the interfacial areas of the discontinuous velocity fields in the three-velocity-field environment of AFDM. These interfacial areas are called convectible surface areas. The continuous and discontinuous components are chosen using volume fraction and levitation criteria. This establishes so-called topologies for which the convectible surface areas can be determined. These areas are functions of space and time. Solid particulates that are limited to being discontinuous within the bulk fluid are assumed to have a constant size. The convectible surface areas are subdivided to model contacts between two discontinuous components or discontinuous components and the structure. The models have been written for the flow inside of large pools. Therefore, the structure is tracked only as a boundary to the fluid volume without having a direct influence on velocity or volume fraction distribution by means of flow regimes or boundary layer models. 17 refs., 7 tabs., 18 figs
Corrugation of Phase-Separated Lipid Bilayers Supported by Nanoporous Silica Xerogel Surfaces
Energy Technology Data Exchange (ETDEWEB)
Goksu, E I; Nellis, B A; Lin, W; Satcher Jr., J H; Groves, J T; Risbud, S H; Longo, M L
2008-10-30
Lipid bilayers supported by substrates with nanometer-scale surface corrugations holds interest in understanding both nanoparticle-membrane interactions and the challenges of constructing models of cell membranes on surfaces with desirable properties, e.g. porosity. Here, we successfully form a two-phase (gel-fluid) lipid bilayer supported by nanoporous silica xerogel. Surface topology, diffusion, and lipid density in comparison to mica-supported lipid bilayers were characterized by AFM, FRAP, FCS, and quantitative fluorescence microscopy, respectively. We found that the two-phase lipid bilayer follows the xerogel surface contours. The corrugation imparted on the lipid bilayer results in a lipid density that is twice that on a flat mica surface. In direct agreement with the doubling of actual bilayer area in a projected area, we find that the lateral diffusion coefficient (D) of lipids on xerogel ({approx}1.7 {micro}m{sup 2}/s) is predictably lower than on mica ({approx}4.1 {micro}m{sup 2}/s) by both FRAP and FCS techniques. Furthermore, the gel-phase domains on xerogel compared to mica were larger and less numerous. Overall, our results suggest the presence of a relatively defect-free continuous two-phase bilayer that penetrates approximately midway into the first layer of {approx}50 nm xerogel beads.
Tracer technology modeling the flow of fluids
Levenspiel, Octave
2012-01-01
A vessel’s behavior as a heat exchanger, absorber, reactor, or other process unit is dependent upon how fluid flows through the vessel. In early engineering, the designer would assume either plug flow or mixed flow of the fluid through the vessel. However, these assumptions were oftentimes inaccurate, sometimes being off by a volume factor of 100 or more. The result of this unreliable figure produced ineffective products in multiple reaction systems. Written by a pioneering researcher in the field of chemical engineering, the tracer method was introduced to provide more accurate flow data. First, the tracer method measured the actual flow of fluid through a vessel. Second, it developed a suitable model to represent the flow in question. Such models are used to follow the flow of fluid in chemical reactors and other process units, like in rivers and streams, or solid and porous structures. In medicine, the tracer method is used to study the flow of chemicals—harmful and harmless—in the...
Slaved diffusion in phospholipid bilayers
Zhang, Liangfang; Granick, Steve
2005-01-01
The translational diffusion of phospholipids in supported fluid bilayers splits into two populations when polyelectrolytes adsorb at incomplete surface coverage. Spatially resolved measurements using fluorescence correlation spectroscopy show that a slow mode, whose magnitude scales inversely with the degree of polymerization of the adsorbate, coexists with a fast mode characteristic of naked lipid diffusion. Inner and outer leaflets of the bilayer are affected nearly equally. Mobility may vary from spot to spot on the membrane surface, despite the lipid composition being the same. This work offers a mechanism to explain how nanosized domains with reduced mobility arise in lipid membranes. PMID:15967988
Effect of Ceramide Tail Length on the Structure of Model Stratum Corneum Lipid Bilayers.
Moore, Timothy C; Hartkamp, Remco; Iacovella, Christopher R; Bunge, Annette L; McCabe, Clare
2018-01-09
Lipid bilayers composed of non-hydroxy sphingosine ceramide (CER NS), cholesterol (CHOL), and free fatty acids (FFAs), which are components of the human skin barrier, are studied via molecular dynamics simulations. Since mixtures of these lipids exist in dense gel phases with little molecular mobility at physiological conditions, care must be taken to ensure that the simulations become decorrelated from the initial conditions. Thus, we propose and validate an equilibration protocol based on simulated tempering, in which the simulation takes a random walk through temperature space, allowing the system to break out of metastable configurations and hence become decorrelated from its initial configuration. After validating the equilibration protocol, which we refer to as random-walk molecular dynamics, the effects of the lipid composition and ceramide tail length on bilayer properties are studied. Systems containing pure CER NS, CER NS + CHOL, and CER NS + CHOL + FFA, with the CER NS fatty acid tail length varied within each CER NS-CHOL-FFA composition, are simulated. The bilayer thickness is found to depend on the structure of the center of the bilayer, which arises as a result of the tail-length asymmetry between the lipids studied. The hydrogen bonding between the lipid headgroups and with water is found to change with the overall lipid composition, but is mostly independent of the CER fatty acid tail length. Subtle differences in the lateral packing of the lipid tails are also found as a function of CER tail length. Overall, these results provide insight into the experimentally observed trend of altered barrier properties in skin systems where there are more CERs with shorter tails present. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.
Computational fluid dynamic modelling of cavitation
Deshpande, Manish; Feng, Jinzhang; Merkle, Charles L.
1993-01-01
Models in sheet cavitation in cryogenic fluids are developed for use in Euler and Navier-Stokes codes. The models are based upon earlier potential-flow models but enable the cavity inception point, length, and shape to be determined as part of the computation. In the present paper, numerical solutions are compared with experimental measurements for both pressure distribution and cavity length. Comparisons between models are also presented. The CFD model provides a relatively simple modification to an existing code to enable cavitation performance predictions to be included. The analysis also has the added ability of incorporating thermodynamic effects of cryogenic fluids into the analysis. Extensions of the current two-dimensional steady state analysis to three-dimensions and/or time-dependent flows are, in principle, straightforward although geometrical issues become more complicated. Linearized models, however offer promise of providing effective cavitation modeling in three-dimensions. This analysis presents good potential for improved understanding of many phenomena associated with cavity flows.
Immiscible multicomponent lattice Boltzmann model for fluids with ...
Indian Academy of Sciences (India)
College of Mechanical Engineering, Tongji University, 4800# Cao'an Road, ... was developed from a discretized fluid model known as the lattice gas automata ... of two immiscible fluids, several lattice Boltzmann (LB) models have been ...
Computational fluid dynamics modelling in cardiovascular medicine.
Morris, Paul D; Narracott, Andrew; von Tengg-Kobligk, Hendrik; Silva Soto, Daniel Alejandro; Hsiao, Sarah; Lungu, Angela; Evans, Paul; Bressloff, Neil W; Lawford, Patricia V; Hose, D Rodney; Gunn, Julian P
2016-01-01
This paper reviews the methods, benefits and challenges associated with the adoption and translation of computational fluid dynamics (CFD) modelling within cardiovascular medicine. CFD, a specialist area of mathematics and a branch of fluid mechanics, is used routinely in a diverse range of safety-critical engineering systems, which increasingly is being applied to the cardiovascular system. By facilitating rapid, economical, low-risk prototyping, CFD modelling has already revolutionised research and development of devices such as stents, valve prostheses, and ventricular assist devices. Combined with cardiovascular imaging, CFD simulation enables detailed characterisation of complex physiological pressure and flow fields and the computation of metrics which cannot be directly measured, for example, wall shear stress. CFD models are now being translated into clinical tools for physicians to use across the spectrum of coronary, valvular, congenital, myocardial and peripheral vascular diseases. CFD modelling is apposite for minimally-invasive patient assessment. Patient-specific (incorporating data unique to the individual) and multi-scale (combining models of different length- and time-scales) modelling enables individualised risk prediction and virtual treatment planning. This represents a significant departure from traditional dependence upon registry-based, population-averaged data. Model integration is progressively moving towards 'digital patient' or 'virtual physiological human' representations. When combined with population-scale numerical models, these models have the potential to reduce the cost, time and risk associated with clinical trials. The adoption of CFD modelling signals a new era in cardiovascular medicine. While potentially highly beneficial, a number of academic and commercial groups are addressing the associated methodological, regulatory, education- and service-related challenges. Published by the BMJ Publishing Group Limited. For permission
Numerical Modeling of Fluid-Structure Interaction with Rheologically Complex Fluids
Chen, Xingyuan
2014-01-01
In the present work the interaction between rheologically complex fluids and elastic solids is studied by means of numerical modeling. The investigated complex fluids are non-Newtonian viscoelastic fluids. The fluid-structure interaction (FSI) of this kind is frequently encountered in injection molding, food processing, pharmaceutical engineering and biomedicine. The investigation via experiments is costly, difficult or in some cases, even impossible. Therefore, research is increasingly aided...
Investigating models for associating fluids using spectroscopy
DEFF Research Database (Denmark)
von Solms, Nicolas; Michelsen, Michael Locht; Passos, Claudia Pereira
2005-01-01
on the way the parameters were obtained. The selection of appropriate association schemes is also investigated using spectroscopic data. For pure water a four-site scheme is shown to be the most appropriate scheme. In the case of pure alcohols, a three-site scheme is best for methanol; two- or three......Two equations of state (PC-SAFT and CPA) are used to predict the monomer fraction of pure associating fluids. The models each require five pure-component parameters usually obtained by fitting to experimental liquid density and vapor pressure data. Here we also incorporate monomer fractions...
Direct modeling for computational fluid dynamics
Xu, Kun
2015-06-01
All fluid dynamic equations are valid under their modeling scales, such as the particle mean free path and mean collision time scale of the Boltzmann equation and the hydrodynamic scale of the Navier-Stokes (NS) equations. The current computational fluid dynamics (CFD) focuses on the numerical solution of partial differential equations (PDEs), and its aim is to get the accurate solution of these governing equations. Under such a CFD practice, it is hard to develop a unified scheme that covers flow physics from kinetic to hydrodynamic scales continuously because there is no such governing equation which could make a smooth transition from the Boltzmann to the NS modeling. The study of fluid dynamics needs to go beyond the traditional numerical partial differential equations. The emerging engineering applications, such as air-vehicle design for near-space flight and flow and heat transfer in micro-devices, do require further expansion of the concept of gas dynamics to a larger domain of physical reality, rather than the traditional distinguishable governing equations. At the current stage, the non-equilibrium flow physics has not yet been well explored or clearly understood due to the lack of appropriate tools. Unfortunately, under the current numerical PDE approach, it is hard to develop such a meaningful tool due to the absence of valid PDEs. In order to construct multiscale and multiphysics simulation methods similar to the modeling process of constructing the Boltzmann or the NS governing equations, the development of a numerical algorithm should be based on the first principle of physical modeling. In this paper, instead of following the traditional numerical PDE path, we introduce direct modeling as a principle for CFD algorithm development. Since all computations are conducted in a discretized space with limited cell resolution, the flow physics to be modeled has to be done in the mesh size and time step scales. Here, the CFD is more or less a direct
Electrorheological fluids modeling and mathematical theory
Růžička, Michael
2000-01-01
This is the first book to present a model, based on rational mechanics of electrorheological fluids, that takes into account the complex interactions between the electromagnetic fields and the moving liquid. Several constitutive relations for the Cauchy stress tensor are discussed. The main part of the book is devoted to a mathematical investigation of a model possessing shear-dependent viscosities, proving the existence and uniqueness of weak and strong solutions for the steady and the unsteady case. The PDS systems investigated possess so-called non-standard growth conditions. Existence results for elliptic systems with non-standard growth conditions and with a nontrivial nonlinear r.h.s. and the first ever results for parabolic systems with a non-standard growth conditions are given for the first time. Written for advanced graduate students, as well as for researchers in the field, the discussion of both the modeling and the mathematics is self-contained.
Modeling quantum fluid dynamics at nonzero temperatures
Berloff, Natalia G.; Brachet, Marc; Proukakis, Nick P.
2014-01-01
The detailed understanding of the intricate dynamics of quantum fluids, in particular in the rapidly growing subfield of quantum turbulence which elucidates the evolution of a vortex tangle in a superfluid, requires an in-depth understanding of the role of finite temperature in such systems. The Landau two-fluid model is the most successful hydrodynamical theory of superfluid helium, but by the nature of the scale separations it cannot give an adequate description of the processes involving vortex dynamics and interactions. In our contribution we introduce a framework based on a nonlinear classical-field equation that is mathematically identical to the Landau model and provides a mechanism for severing and coalescence of vortex lines, so that the questions related to the behavior of quantized vortices can be addressed self-consistently. The correct equation of state as well as nonlocality of interactions that leads to the existence of the roton minimum can also be introduced in such description. We review and apply the ideas developed for finite-temperature description of weakly interacting Bose gases as possible extensions and numerical refinements of the proposed method. We apply this method to elucidate the behavior of the vortices during expansion and contraction following the change in applied pressure. We show that at low temperatures, during the contraction of the vortex core as the negative pressure grows back to positive values, the vortex line density grows through a mechanism of vortex multiplication. This mechanism is suppressed at high temperatures. PMID:24704874
AFDM: An Advanced Fluid-Dynamics Model
International Nuclear Information System (INIS)
Bohl, W.R.; Parker, F.R.; Wilhelm, D.; Goutagny, L.; Ninokata, H.
1990-09-01
AFDM, or the Advanced Fluid-Dynamics Model, is a computer code that investigates new approaches simulating the multiphase-flow fluid-dynamics aspects of severe accidents in fast reactors. The AFDM formalism starts with differential equations similar to those in the SIMMER-II code. These equations are modified to treat three velocity fields and supplemented with a variety of new models. The AFDM code has 12 topologies describing what material contacts are possible depending on the presence or absence of a given material in a computational cell, on the dominant liquid, and on the continuous phase. Single-phase, bubbly, churn-turbulent, cellular, and dispersed flow regimes are permitted for the pool situations modeled. Virtual mass terms are included for vapor in liquid-continuous flow. Interfacial areas between the continuous and discontinuous phases are convected to allow some tracking of phenomenological histories. Interfacial areas are also modified by models of nucleation, dynamic forces, turbulence, flashing, coalescence, and mass transfer. Heat transfer is generally treated using engineering correlations. Liquid-vapor phase transitions are handled with the nonequilibrium, heat-transfer-limited model, whereas melting and freezing processes are based on equilibrium considerations. Convection is treated using a fractional-step method of time integration, including a semi-implicit pressure iteration. A higher-order differencing option is provided to control numerical diffusion. The Los Alamos SESAME equation-of-state has been implemented using densities and temperatures as the independent variables. AFDM programming has vectorized all computational loops consistent with the objective of producing an exportable code. 24 refs., 4 figs
Directory of Open Access Journals (Sweden)
Fei Wang
Full Text Available Fluid-structural coupling occurs when microcantilever sensors vibrate in a fluid. Due to the complexity of the mechanical characteristics of microcantilevers and lack of high-precision microscopic mechanical testing instruments, effective methods for studying the fluid-structural coupling of microcantilevers are lacking, especially for non-rectangular microcantilevers. Here, we report fluid-structure interactions (FSI of the cable-membrane structure via a macroscopic study. The simplified aeroelastic model was introduced into the microscopic field to establish a fluid-structure coupling vibration model for microcantilever sensors. We used the finite element method to solve the coupled FSI system. Based on the simplified aeroelastic model, simulation analysis of the effects of the air environment on the vibration of the commonly used rectangular microcantilever was also performed. The obtained results are consistent with the literature. The proposed model can also be applied to the auxiliary design of rectangular and non-rectangular sensors used in fluid environments.
Modelling non-dust fluids in cosmology
International Nuclear Information System (INIS)
Christopherson, Adam J.; Hidalgo, Juan Carlos; Malik, Karim A.
2013-01-01
Currently, most of the numerical simulations of structure formation use Newtonian gravity. When modelling pressureless dark matter, or 'dust', this approach gives the correct results for scales much smaller than the cosmological horizon, but for scenarios in which the fluid has pressure this is no longer the case. In this article, we present the correspondence of perturbations in Newtonian and cosmological perturbation theory, showing exact mathematical equivalence for pressureless matter, and giving the relativistic corrections for matter with pressure. As an example, we study the case of scalar field dark matter which features non-zero pressure perturbations. We discuss some problems which may arise when evolving the perturbations in this model with Newtonian numerical simulations and with CMB Boltzmann codes
Lam, J.; Lu, S.; Lee, E.J.; Trachtenberg, J.E.; Meretoja, V.V.; Dahlin, R.L.; van den Beucken, J.J.; Tabata, Y.; Wong, M.E.; Jansen, J.A.; Mikos, A.G.; Kasper, F.K.
2014-01-01
OBJECTIVE: To investigate the ability of cell-laden bilayered hydrogels encapsulating chondrogenically and osteogenically (OS) pre-differentiated mesenchymal stem cells (MSCs) to effect osteochondral defect repair in a rabbit model. By varying the period of chondrogenic pre-differentiation from 7
Modeling Fluid Flow in Faulted Basins
Directory of Open Access Journals (Sweden)
Faille I.
2014-07-01
Full Text Available This paper presents a basin simulator designed to better take faults into account, either as conduits or as barriers to fluid flow. It computes hydrocarbon generation, fluid flow and heat transfer on the 4D (space and time geometry obtained by 3D volume restoration. Contrary to classical basin simulators, this calculator does not require a structured mesh based on vertical pillars nor a multi-block structure associated to the fault network. The mesh follows the sediments during the evolution of the basin. It deforms continuously with respect to time to account for sedimentation, erosion, compaction and kinematic displacements. The simulation domain is structured in layers, in order to handle properly the corresponding heterogeneities and to follow the sedimentation processes (thickening of the layers. In each layer, the mesh is unstructured: it may include several types of cells such as tetrahedra, hexahedra, pyramid, prism, etc. However, a mesh composed mainly of hexahedra is preferred as they are well suited to the layered structure of the basin. Faults are handled as internal boundaries across which the mesh is non-matching. Different models are proposed for fault behavior such as impervious fault, flow across fault or conductive fault. The calculator is based on a cell centered Finite Volume discretisation, which ensures conservation of physical quantities (mass of fluid, heat at a discrete level and which accounts properly for heterogeneities. The numerical scheme handles the non matching meshes and guaranties appropriate connection of cells across faults. Results on a synthetic basin demonstrate the capabilities of this new simulator.
AFDM: An advanced fluid-dynamics model
International Nuclear Information System (INIS)
Henneges, G.; Kleinheins, S.
1994-01-01
This volume of the Advanced Fluid-Dynamics Model (AFDM) documents the modeling of the equation of state (EOS) in the code. The authors present an overview of the basic concepts underlying the thermodynamics modeling and resulting EOS, which is a set of relations between the thermodynamic properties of materials. The AFDM code allows for multiphase-multimaterial systems, which they explore in three phase models: two-material solid, two-material liquid, and three-material vapor. They describe and compare two ways of specifying the EOS of materials: (1) as simplified analytic expressions, or (2) as tables that precisely describe the properties of materials and their interactions for mechanical equilibrium. Either of the two EOS models implemented in AFDM can be selected by specifying the option when preprocessing the source code for compilation. Last, the authors determine thermophysical properties such as surface tension, thermal conductivities, and viscosities in the model for the intracell exchanges of AFDM. Specific notations, routines, EOS data, plots, test results, and corrections to the code are available in the appendices
AIR INGRESS ANALYSIS: COMPUTATIONAL FLUID DYNAMIC MODELS
Energy Technology Data Exchange (ETDEWEB)
Chang H. Oh; Eung S. Kim; Richard Schultz; Hans Gougar; David Petti; Hyung S. Kang
2010-08-01
The Idaho National Laboratory (INL), under the auspices of the U.S. Department of Energy, is performing research and development that focuses on key phenomena important during potential scenarios that may occur in very high temperature reactors (VHTRs). Phenomena Identification and Ranking Studies to date have ranked an air ingress event, following on the heels of a VHTR depressurization, as important with regard to core safety. Consequently, the development of advanced air ingress-related models and verification and validation data are a very high priority. Following a loss of coolant and system depressurization incident, air will enter the core of the High Temperature Gas Cooled Reactor through the break, possibly causing oxidation of the in-the core and reflector graphite structure. Simple core and plant models indicate that, under certain circumstances, the oxidation may proceed at an elevated rate with additional heat generated from the oxidation reaction itself. Under postulated conditions of fluid flow and temperature, excessive degradation of the lower plenum graphite can lead to a loss of structural support. Excessive oxidation of core graphite can also lead to the release of fission products into the confinement, which could be detrimental to a reactor safety. Computational fluid dynamic model developed in this study will improve our understanding of this phenomenon. This paper presents two-dimensional and three-dimensional CFD results for the quantitative assessment of the air ingress phenomena. A portion of results of the density-driven stratified flow in the inlet pipe will be compared with results of the experimental results.
Computational Fluid Dynamics Modeling of Bacillus anthracis ...
Journal Article Three-dimensional computational fluid dynamics and Lagrangian particle deposition models were developed to compare the deposition of aerosolized Bacillus anthracis spores in the respiratory airways of a human with that of the rabbit, a species commonly used in the study of anthrax disease. The respiratory airway geometries for each species were derived from computed tomography (CT) or µCT images. Both models encompassed airways that extended from the external nose to the lung with a total of 272 outlets in the human model and 2878 outlets in the rabbit model. All simulations of spore deposition were conducted under transient, inhalation-exhalation breathing conditions using average species-specific minute volumes. Four different exposure scenarios were modeled in the rabbit based upon experimental inhalation studies. For comparison, human simulations were conducted at the highest exposure concentration used during the rabbit experimental exposures. Results demonstrated that regional spore deposition patterns were sensitive to airway geometry and ventilation profiles. Despite the complex airway geometries in the rabbit nose, higher spore deposition efficiency was predicted in the upper conducting airways of the human at the same air concentration of anthrax spores. This greater deposition of spores in the upper airways in the human resulted in lower penetration and deposition in the tracheobronchial airways and the deep lung than that predict
Directory of Open Access Journals (Sweden)
Yeun Goo Chung
Full Text Available Acellular scaffolds derived from Bombyx mori silk fibroin were investigated for their ability to support functional tissue regeneration in a rabbit model of urethra repair. A bi-layer silk fibroin matrix was fabricated by a solvent-casting/salt leaching process in combination with silk fibroin film casting to generate porous foams buttressed by homogeneous silk fibroin films. Ventral onlay urethroplasty was performed with silk fibroin grafts (Group 1, N = 4 (Width × Length, 1 × 2 cm(2 in adult male rabbits for 3 m of implantation. Parallel control groups consisted of animals receiving small intestinal submucosa (SIS implants (Group 2, N = 4 or urethrotomy alone (Group 3, N = 3. Animals in all groups exhibited 100% survival prior to scheduled euthanasia and achieved voluntary voiding following 7 d of initial catheterization. Retrograde urethrography of each implant group at 3 m post-op revealed wide urethral calibers and preservation of organ continuity similar to pre-operative and urethrotomy controls with no evidence of contrast extravasation, strictures, fistulas, or stone formation. Histological (hematoxylin and eosin and Masson's trichrome, immunohistochemical, and histomorphometric analyses demonstrated that both silk fibroin and SIS scaffolds promoted similar extents of smooth muscle and epithelial tissue regeneration throughout the original defect sites with prominent contractile protein (α-smooth muscle actin and SM22α and cytokeratin expression, respectively. De novo innervation and vascularization were also evident in all regenerated tissues indicated by synaptophysin-positive neuronal cells and vessels lined with CD31 expressing endothelial cells. Following 3 m post-op, minimal acute inflammatory reactions were elicited by silk fibroin scaffolds characterized by the presence of eosinophil granulocytes while SIS matrices promoted chronic inflammatory responses indicated by mobilization of mononuclear cell infiltrates. The results
Chung, Yeun Goo; Tu, Duong; Franck, Debra; Gil, Eun Seok; Algarrahi, Khalid; Adam, Rosalyn M; Kaplan, David L; Estrada, Carlos R; Mauney, Joshua R
2014-01-01
Acellular scaffolds derived from Bombyx mori silk fibroin were investigated for their ability to support functional tissue regeneration in a rabbit model of urethra repair. A bi-layer silk fibroin matrix was fabricated by a solvent-casting/salt leaching process in combination with silk fibroin film casting to generate porous foams buttressed by homogeneous silk fibroin films. Ventral onlay urethroplasty was performed with silk fibroin grafts (Group 1, N = 4) (Width × Length, 1 × 2 cm(2)) in adult male rabbits for 3 m of implantation. Parallel control groups consisted of animals receiving small intestinal submucosa (SIS) implants (Group 2, N = 4) or urethrotomy alone (Group 3, N = 3). Animals in all groups exhibited 100% survival prior to scheduled euthanasia and achieved voluntary voiding following 7 d of initial catheterization. Retrograde urethrography of each implant group at 3 m post-op revealed wide urethral calibers and preservation of organ continuity similar to pre-operative and urethrotomy controls with no evidence of contrast extravasation, strictures, fistulas, or stone formation. Histological (hematoxylin and eosin and Masson's trichrome), immunohistochemical, and histomorphometric analyses demonstrated that both silk fibroin and SIS scaffolds promoted similar extents of smooth muscle and epithelial tissue regeneration throughout the original defect sites with prominent contractile protein (α-smooth muscle actin and SM22α) and cytokeratin expression, respectively. De novo innervation and vascularization were also evident in all regenerated tissues indicated by synaptophysin-positive neuronal cells and vessels lined with CD31 expressing endothelial cells. Following 3 m post-op, minimal acute inflammatory reactions were elicited by silk fibroin scaffolds characterized by the presence of eosinophil granulocytes while SIS matrices promoted chronic inflammatory responses indicated by mobilization of mononuclear cell infiltrates. The results of this study
Hierarchical Bayesian Modeling of Fluid-Induced Seismicity
Broccardo, M.; Mignan, A.; Wiemer, S.; Stojadinovic, B.; Giardini, D.
2017-11-01
In this study, we present a Bayesian hierarchical framework to model fluid-induced seismicity. The framework is based on a nonhomogeneous Poisson process with a fluid-induced seismicity rate proportional to the rate of injected fluid. The fluid-induced seismicity rate model depends upon a set of physically meaningful parameters and has been validated for six fluid-induced case studies. In line with the vision of hierarchical Bayesian modeling, the rate parameters are considered as random variables. We develop both the Bayesian inference and updating rules, which are used to develop a probabilistic forecasting model. We tested the Basel 2006 fluid-induced seismic case study to prove that the hierarchical Bayesian model offers a suitable framework to coherently encode both epistemic uncertainty and aleatory variability. Moreover, it provides a robust and consistent short-term seismic forecasting model suitable for online risk quantification and mitigation.
Kik, R.A.
2007-01-01
In biological systems lipid bilayers are subject to many different interactions with other entities. These can range from proteins that are attached to the hydrophilic region of the bilayer or transmembrane proteins that interact with the hydrophobic region of the lipid bilayer. Interaction between
Generalized reduced fluid model with finite ion-gyroradius effects
International Nuclear Information System (INIS)
Hsu, C.T.; Hazeltine, R.D.; Morrison, P.J.
1985-04-01
Reduced fluid models have become important tools for studying the nonlinear dynamics of plasma in a large aspect-ratio tokamak. A self-consistent nonlinear reduced fluid model, with finite ion-gyroradius effects is presented. The model is distinctive in allowing for arbitrary beta and in satisfying an exact, relatively simple energy conservation law
Tribodynamic Modeling of Digital Fluid Power Motors
DEFF Research Database (Denmark)
Johansen, Per
. In fluid power motoring and pumping units, a significant problem is that loss mechanisms do not scale down with diminishing power throughput. Although machines can reach peak efficiencies above 95%, the actual efficiency during operation, which includes part-load situations, is much lower. The invention...... of digital fluid power displacement units has been able to address this problem. The main idea of the digital fluid power displacement technology is to disable individual chambers, by use of electrical actuated valves. A displacement chamber is disabled by keeping the valve, between the chamber and the low...... design methods and tools are important to the development of digital fluid power machines. The work presented in this dissertation is part of a research program focusing on the development of digital fluid power MW-motors for use in hydraulic drive train in wind turbines. As part of this development...
Directory of Open Access Journals (Sweden)
Shen Min
2016-01-01
Full Text Available Magnetrohelogical fluids (MRFs represent a class of smart materials whose rheological properties change in response to the magnetic field, which resulting in the drastic change of the acoustic impedance. This paper presents an acoustic propagation model that approximates a fluid-saturated porous medium as a fluid with a bulk modulus and effective density (EDFM to study the acoustic propagation in the MRF materials under magnetic field. The effective density fluid model derived from the Biot’s theory. Some minor changes to the theory had to be applied, modeling both fluid-like and solid-like state of the MRF material. The attenuation and velocity variation of the MRF are numerical calculated. The calculated results show that for the MRF material the attenuation and velocity predicted with this effective density fluid model are close agreement with the previous predictions by Biot’s theory. We demonstrate that for the MRF material acoustic prediction the effective density fluid model is an accurate alternative to full Biot’s theory and is much simpler to implement.
Modeling of Dynamic Fluid Forces in Fast Switching Valves
DEFF Research Database (Denmark)
Roemer, Daniel Beck; Johansen, Per; Pedersen, Henrik Clemmensen
2015-01-01
Switching valves experience opposing fluid forces due to movement of the moving member itself, as the surrounding fluid volume must move to accommodate the movement. This movement-induced fluid force may be divided into three main components; the added mass term, the viscous term and the socalled...... history term. For general valve geometries there are no simple solution to either of these terms. During development and design of such switching valves, it is therefore, common practice to use simple models to describe the opposing fluid forces, neglecting all but the viscous term which is determined...... based on shearing areas and venting channels. For fast acting valves the opposing fluid force may retard the valve performance significantly, if appropriate measures are not taken during the valve design. Unsteady Computational Fluid Dynamics (CFD) simulations are available to simulate the total fluid...
Nash, Anthony; Rhodes, Johanna
2018-04-01
Azole antifungal drugs target CYP51A in Aspergillus fumigatus by binding with the active site of the protein, blocking ergosterol biosynthesis. Resistance to azole antifungal drugs is now common, with a leucine to histidine amino acid substitution at position 98 the most frequent, predominantly conferring resistance to itraconazole, although cross-resistance has been reported in conjunction with other mutations. In this study, we create a homology model of CYP51A using a recently published crystal structure of the paralog protein CYP51B. The derived structures, wild type, and L98H mutant are positioned within a lipid membrane bilayer and subjected to molecular dynamics simulations in order improve the accuracy of both models. The structural analysis from our simulations suggests a decrease in active site surface from the formation of hydrogen bonds between the histidine substitution and neighboring polar side chains, potentially preventing the binding of azole drugs. This study yields a biologically relevant structure and set of dynamics of the A. fumigatus Lanosterol 14 alpha-demethylase enzyme and provides further insight into azole antifungal drug resistance.
Lozeau, Lindsay D; Rolle, Marsha W; Camesano, Terri A
2018-07-01
The human antimicrobial peptide LL37 is promising as an alternative to antibiotics due to its biophysical interactions with charged bacterial lipids. However, its clinical potential is limited due to its interactions with zwitterionic mammalian lipids leading to cytotoxicity. Mechanistic insight into the LL37 interactions with mammalian lipids may enable rational design of less toxic LL37-based therapeutics. To this end, we studied concentration- and time-dependent interactions of LL37 with zwitterionic model phosphatidylcholine (PC) bilayers with quartz crystal microbalance with dissipation (QCM-D). LL37 mass adsorption and PC bilayer viscoelasticity changes were monitored by measuring changes in frequency (Δf) and dissipation (ΔD), respectively. The Voigt-Kelvin viscoelastic model was applied to Δf and ΔD to study changes in bilayer thickness and density with LL37 concentration. At low concentrations (0.10-1.00 μM), LL37 adsorbed onto bilayers in a concentration-dependent manner. Further analyses of Δf, ΔD and thickness revealed that peptide saturation on the bilayers was a threshold for interactions observed above 2.00 μM, interactions that were rapid, multi-step, and reached equilibrium in a concentration- and time-dependent manner. Based on these data, we proposed a model of stable transmembrane pore formation at 2.00-10.0 μM, or transition from a primarily lipid to a primarily protein film with a transmembrane pore formation intermediate state at concentrations of LL37 > 10 μM. The concentration-dependent interactions between LL37 and PC bilayers correlated with the observed concentration-dependent biological activities of LL37 (antimicrobial, immunomodulatory and non-cytotoxic at 0.1-1.0 μM, hemolytic and some cytotoxicity at 2.0-13 μM and cytotoxic at >13 μM). Copyright © 2018 Elsevier B.V. All rights reserved.
Modeling and control of magnetorheological fluid dampers using neural networks
Wang, D. H.; Liao, W. H.
2005-02-01
Due to the inherent nonlinear nature of magnetorheological (MR) fluid dampers, one of the challenging aspects for utilizing these devices to achieve high system performance is the development of accurate models and control algorithms that can take advantage of their unique characteristics. In this paper, the direct identification and inverse dynamic modeling for MR fluid dampers using feedforward and recurrent neural networks are studied. The trained direct identification neural network model can be used to predict the damping force of the MR fluid damper on line, on the basis of the dynamic responses across the MR fluid damper and the command voltage, and the inverse dynamic neural network model can be used to generate the command voltage according to the desired damping force through supervised learning. The architectures and the learning methods of the dynamic neural network models and inverse neural network models for MR fluid dampers are presented, and some simulation results are discussed. Finally, the trained neural network models are applied to predict and control the damping force of the MR fluid damper. Moreover, validation methods for the neural network models developed are proposed and used to evaluate their performance. Validation results with different data sets indicate that the proposed direct identification dynamic model using the recurrent neural network can be used to predict the damping force accurately and the inverse identification dynamic model using the recurrent neural network can act as a damper controller to generate the command voltage when the MR fluid damper is used in a semi-active mode.
Dynamics, Surface Electrostatics and Phase Properties of Nanoscale Curved Lipid Bilayers
Koolivand, Amir
Surface electrostatic potential of a lipid bilayer governs many vital functions of living cells. Several classes of proteins are known of exhibiting strong binding preferences to curved lipid bilayer surfaces. In this project we employed electron paramagnetic resonance (EPR) of a recently introduced phospholipid (IMTSL-PTE) bearing a pH-sensitive nitroxide covalently attached to the lipid head group to measure the surface electrostatics of the lipid membrane and nanopore-confined lipid bilayers as a function of the bilayer curvature. The pKa of the ionizable group of this lipid-based spin probe is reporting on the bilayer surface electrostatics potential by changes in the EPR spectra. Specifically, both rotational dynamics and magnetic parameters of the nitroxide are affected by the probe protonation. Effect of curvature on the surface electrostatic potential and dynamics of lipid bilayer was studied for POPG and DMPG unilamellar vesicles (ULVs). It was found that the magnitude of the negative surface electrostatic potential increased upon decrease in the vesicle diameter for the bilayers in the fluid phase; however, no significant changes were observed for DMPG ULVs in a gel phase. We speculate that biologically relevant fluid bilayer phase allows for a larger variability in the lipid packing density in the lipid polar head group region than a more ordered gel phase and it is likely that the lipid flip-flop is responsible for pH equilibration of IMTSL-PTE. The kinetic EPR study of nitroxide reduction showed that the rate of flip-flop is in the order of 10-5 s-1. The flip-flop rate constant increases when vesicle size deceases. Oxygen permeability measured by X-ban EPR decreases in higher curved vesicles---an observation that is consistent with a tighter packing in smaller vesicles. Partitioning of a small nitroxide molecule TEMPO into ULVs was measured by X-band (9 GHz) and W-band (95 GHz) EPR spectroscopy. The partitioning coefficient of this probe in the lipid
Introduction to fluid model for RHIC heavy ion collisions
International Nuclear Information System (INIS)
Muraya, Shin
2007-01-01
An introductory review of the fluid model which has been looked upon as the promising phenomenological model for the heavy ion scattering experiments at RHIC is presented here. Subjects are especially focused on the fundamental assumptions of the model and the decision process of the phenomenological parameters considering newcomers to hadron physics. Introduction of thermodynamical quantities, 1+1 dimension model, time-space evolution of fluid, correspondence of fluid to particles, initial condition, boundary condition and comparison of the equation of state of fluid model and that of hadron model are described. Limitation of fluid picture and the validity of the model are discussed finally. It is summarized that the present fluid model does not predict much about results in advance but gives interpretation after the event, nevertheless it reproduces much of the experimental results in natural form. It is expected that the parameter of the fluid model is to be used as the intermediate theory to relate experimental results with theory. (S. Funahashi)
Turbulence theories and modelling of fluids and plasmas
Energy Technology Data Exchange (ETDEWEB)
Yoshizawa, Akira; Yokoi, Nobumitsu [Institute of Industrial Science, Univ. of Tokyo, Tokyo (Japan); Itoh, Sanae-I. [Research Institute for Applied Mechanics, Kyushu Univ., Kasuga, Fukuoka (Japan); Itoh, Kimitaka [National Inst. for Fusion Science, Toki, Gifu (Japan)
2001-04-01
Theoretical and heuristic modelling methods are reviewed for studying turbulence phenomena of fluids and plasmas. Emphasis is put on understanding of effects on turbulent characteristics due to inhomogeneities of field and plasma parameters. The similarity and dissimilarity between the methods for fluids and plasmas are sought in order to shed light on the properties that are shared or not by fluid and plasma turbulence. (author)
A Mathematical Model for Swallowing of Concentrated Fluids in Oesophagus
Pandey, S. K.; Tripathi, Dharmendra
2011-01-01
This model investigates particularly the impact of an integral and a non-integral number of waves on the swallowing of food stuff such as jelly, tomato puree, soup, concentrated fruits juices and honey transported peristaltically through the oesophagus. The fluid is considered as a Casson fluid. Emphasis is on the study of the dependence of local pressure distribution on space and time. Mechanical efficiency, reflux limit and trapping are also discussed. The effect of Casson fluid vis-à-vis N...
Approximate Riemann solver for the two-fluid plasma model
International Nuclear Information System (INIS)
Shumlak, U.; Loverich, J.
2003-01-01
An algorithm is presented for the simulation of plasma dynamics using the two-fluid plasma model. The two-fluid plasma model is more general than the magnetohydrodynamic (MHD) model often used for plasma dynamic simulations. The two-fluid equations are derived in divergence form and an approximate Riemann solver is developed to compute the fluxes of the electron and ion fluids at the computational cell interfaces and an upwind characteristic-based solver to compute the electromagnetic fields. The source terms that couple the fluids and fields are treated implicitly to relax the stiffness. The algorithm is validated with the coplanar Riemann problem, Langmuir plasma oscillations, and the electromagnetic shock problem that has been simulated with the MHD plasma model. A numerical dispersion relation is also presented that demonstrates agreement with analytical plasma waves
Hu, Jing-Xiao; Ran, Jia-Bing; Chen, Si; Shen, Xin-Yu; Tong, Hua
2015-12-01
In order to prepare sophisticated biomaterials using a biomimetic approach, a deeper understanding of biomineralization is needed. Of particular importance is the control and regulation of the mineralization process. In this study, a novel bilayer rate-controlling model was designed to investigate the factors potentially influencing mineralization. In the absence of a rate-controlling layer, nano-scale hydroxyapatite (HA) crystallites exhibited a spherical morphology, whereas, in the presence of a rate-controlling layer, HA crystallites were homogeneously dispersed and spindle-like in structure. The mineralization rate had a significant effect on controlling the morphology of crystals. Furthermore, in vitro tests demonstrated that the reaction layer containing spindle-like HA crystallites possessed superior biological properties. These results suggest that a slow mineralization rate is required for controlling the morphology of inorganic crystallites, and consumption by the rate-controlling layer ensured that the ammonia concentration remained low. This study demonstrates that a biomimetic approach can be used to prepare novel biomaterials containing HA crystallites that have different morphologies and biological properties. Copyright © 2015 Elsevier B.V. All rights reserved.
Random fluid limit of an overloaded polling model
M. Frolkova (Masha); S.G. Foss (Sergey); A.P. Zwart (Bert)
2014-01-01
htmlabstractIn the present paper, we study the evolution of an overloaded cyclic polling model that starts empty. Exploiting a connection with multitype branching processes, we derive fluid asymptotics for the joint queue length process. Under passage to the fluid dynamics, the server switches
Random fluid limit of an overloaded polling model
M. Frolkova (Masha); S.G. Foss (Sergey); A.P. Zwart (Bert)
2013-01-01
htmlabstractIn the present paper, we study the evolution of an~overloaded cyclic polling model that starts empty. Exploiting a~connection with multitype branching processes, we derive fluid asymptotics for the joint queue length process. Under passage to the fluid dynamics, the server switches
Rotating fluid models in classical and quantum mechanics
International Nuclear Information System (INIS)
Arvieu, R.; Troudet, T.
1979-01-01
To describe the behavior of high-spin nuclei it is necessary to refer back to the classical mechanics of fluids in rotation where some results are general enough to apply to the rotational nuclear fluid. It is then shown that the quantum model of rotational oscillator gives a simple classification of rotating configurations [fr
Atomistic Modeling of the Fluid-Solid Interface in Simple Fluids
Hadjiconstantinou, Nicolas; Wang, Gerald
2017-11-01
Fluids can exhibit pronounced structuring effects near a solid boundary, typically manifested in a layered structure that has been extensively shown to directly affect transport across the interface. We present and discuss several results from molecular-mechanical modeling and molecular-dynamics (MD) simulations aimed at characterizing the structure of the first fluid layer directly adjacent to the solid. We identify a new dimensionless group - termed the Wall number - which characterizes the degree of fluid layering, by comparing the competing effects of wall-fluid interaction and thermal energy. We find that in the layering regime, several key features of the first layer layer - including its distance from the solid, its width, and its areal density - can be described using mean-field-energy arguments, as well as asymptotic analysis of the Nernst-Planck equation. For dense fluids, the areal density and the width of the first layer can be related to the bulk fluid density using a simple scaling relation. MD simulations show that these results are broadly applicable and robust to the presence of a second confining solid boundary, different choices of wall structure and thermalization, strengths of fluid-solid interaction, and wall geometries.
Relativistic fluid model of the resistive hose instability
International Nuclear Information System (INIS)
Siambis, J.G.
1992-01-01
A systematic analysis of the hose instability using the relativistic fluid formulation is reported. In its basic nature, the hose instability is a macroscopic, low-frequency instability, hence a fluid model should, in principle, give an accurate account of the hose instability. It has been found that for zeroth-order beam displacements, giving rise to rigid beam displacements, the fluid wave equation and resulting dispersion relation are identical to the spread-mass model and the energy-group model results. When first-order fluid displacements are included as well, giving rise to compressible, nonfrozen displacements in the axial direction and beam cross-section distortion in the radial direction, then there is obtained a wave equation similar, but not identical to the multicomponent model. The dispersion relation is solved for numerically. The hose instability growth rate is found to be similar to the multicomponent model result, over part of the beam frame, real hose frequency range
Probing Lipid Bilayers under Ionic Imbalance.
Lin, Jiaqi; Alexander-Katz, Alfredo
2016-12-06
Biological membranes are normally under a resting transmembrane potential (TMP), which originates from the ionic imbalance between extracellular fluids and cytosols, and serves as electric power storage for cells. In cell electroporation, the ionic imbalance builds up a high TMP, resulting in the poration of cell membranes. However, the relationship between ionic imbalance and TMP is not clearly understood, and little is known about the effect of ionic imbalance on the structure and dynamics of biological membranes. In this study, we used coarse-grained molecular dynamics to characterize a dipalmitoylphosphatidylcholine bilayer system under ionic imbalances ranging from 0 to ∼0.06 e charges per lipid (e/Lip). We found that the TMP displayed three distinct regimes: 1) a linear regime between 0 and 0.045 e/Lip, where the TMP increased linearly with ionic imbalance; 2) a yielding regime between ∼0.045 and 0.060 e/Lip, where the TMP displayed a plateau; and 3) a poration regime above ∼0.060 e/Lip, where we observed pore formation within the sampling time (80 ns). We found no structural changes in the linear regime, apart from a nonlinear increase in the area per lipid, whereas in the yielding regime the bilayer exhibited substantial thinning, leading to an excess of water and Na + within the bilayer, as well as significant misalignment of the lipid tails. In the poration regime, lipid molecules diffused slightly faster. We also found that the fluid-to-gel phase transition temperature of the bilayer dropped below the normal value with increased ionic imbalances. Our results show that a high ionic imbalance can substantially alter the essential properties of the bilayer, making the bilayer more fluid like, or conversely, depolarization of a cell could in principle lead to membrane stiffening. Copyright Â© 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.
Directory of Open Access Journals (Sweden)
Steven P. Wrenn, Stephen M. Dicker, Eleanor F. Small, Nily R. Dan, Michał Mleczko, Georg Schmitz, Peter A. Lewin
2012-01-01
Full Text Available This paper discusses various interactions between ultrasound, phospholipid monolayer-coated gas bubbles, phospholipid bilayer vesicles, and cells. The paper begins with a review of microbubble physics models, developed to describe microbubble dynamic behavior in the presence of ultrasound, and follows this with a discussion of how such models can be used to predict inertial cavitation profiles. Predicted sensitivities of inertial cavitation to changes in the values of membrane properties, including surface tension, surface dilatational viscosity, and area expansion modulus, indicate that area expansion modulus exerts the greatest relative influence on inertial cavitation. Accordingly, the theoretical dependence of area expansion modulus on chemical composition - in particular, poly (ethylene glyclol (PEG - is reviewed, and predictions of inertial cavitation for different PEG molecular weights and compositions are compared with experiment. Noteworthy is the predicted dependence, or lack thereof, of inertial cavitation on PEG molecular weight and mole fraction. Specifically, inertial cavitation is predicted to be independent of PEG molecular weight and mole fraction in the so-called mushroom regime. In the “brush” regime, however, inertial cavitation is predicted to increase with PEG mole fraction but to decrease (to the inverse 3/5 power with PEG molecular weight. While excellent agreement between experiment and theory can be achieved, it is shown that the calculated inertial cavitation profiles depend strongly on the criterion used to predict inertial cavitation. This is followed by a discussion of nesting microbubbles inside the aqueous core of microcapsules and how this significantly increases the inertial cavitation threshold. Nesting thus offers a means for avoiding unwanted inertial cavitation and cell death during imaging and other applications such as sonoporation. A review of putative sonoporation mechanisms is then presented
Continuum-kinetic-microscopic model of lung clearance due to core-annular fluid entrainment
International Nuclear Information System (INIS)
Mitran, Sorin
2013-01-01
The human lung is protected against aspirated infectious and toxic agents by a thin liquid layer lining the interior of the airways. This airway surface liquid is a bilayer composed of a viscoelastic mucus layer supported by a fluid film known as the periciliary liquid. The viscoelastic behavior of the mucus layer is principally due to long-chain polymers known as mucins. The airway surface liquid is cleared from the lung by ciliary transport, surface tension gradients, and airflow shear forces. This work presents a multiscale model of the effect of airflow shear forces, as exerted by tidal breathing and cough, upon clearance. The composition of the mucus layer is complex and variable in time. To avoid the restrictions imposed by adopting a viscoelastic flow model of limited validity, a multiscale computational model is introduced in which the continuum-level properties of the airway surface liquid are determined by microscopic simulation of long-chain polymers. A bridge between microscopic and continuum levels is constructed through a kinetic-level probability density function describing polymer chain configurations. The overall multiscale framework is especially suited to biological problems due to the flexibility afforded in specifying microscopic constituents, and examining the effects of various constituents upon overall mucus transport at the continuum scale
On Equilibria of the Two-fluid Model in Magnetohydrodynamics
International Nuclear Information System (INIS)
Frantzeskakis, Dimitri J.; Stratis, Ioannis G.; Yannacopoulos, Athanasios N.
2004-01-01
We show how the equilibria of the two-fluid model in magnetohydrodynamics can be described by the double curl equation and through the study of this equation we study some properties of these equilibria
Multi-scale modeling of shape distortions during sintering of bi-layers
DEFF Research Database (Denmark)
Tadesse Molla, Tesfaye; Bjørk, Rasmus; Olevsky, Eugene
2014-01-01
on kinetic Monte Carlo (kMC) model of sintering. During the sintering process the shrinkage rate is calculated from the kMC model. With the help of computational homogenization, the effective viscosity of the powder compact is also estimated from a boundary value problem defined on the microstructures...
Debnath, Ananya; Thakkar, Foram M; Maiti, Prabal K; Kumaran, V; Ayappa, K G
2014-10-14
Molecular dynamics simulations of bilayers in a surfactant/co-surfactant/water system with explicit solvent molecules show formation of topologically distinct gel phases depending upon the bilayer composition. At low temperatures, the bilayers transform from the tilted gel phase, Lβ', to the one dimensional (1D) rippled, Pβ' phase as the surfactant concentration is increased. More interestingly, we observe a two dimensional (2D) square phase at higher surfactant concentration which, upon heating, transforms to the gel Lβ' phase. The thickness modulations in the 1D rippled and square phases are asymmetric in two surfactant leaflets and the bilayer thickness varies by a factor of ∼2 between maximum and minimum. The 1D ripple consists of a thinner interdigitated region of smaller extent alternating with a thicker non-interdigitated region. The 2D ripple phase is made up of two superimposed square lattices of maximum and minimum thicknesses with molecules of high tilt forming a square lattice translated from the lattice formed with the thickness minima. Using Voronoi diagrams we analyze the intricate interplay between the area-per-head-group, height modulations and chain tilt for the different ripple symmetries. Our simulations indicate that composition plays an important role in controlling the formation of low temperature gel phase symmetries and rippling accommodates the increased area-per-head-group of the surfactant molecules.
Asymmetric bi-layer PFSA membranes as model systems for the study of water management in the PEMFC.
Peng, Z; Peng, A Z; Morin, A; Huguet, P; Lanteri, Y; Deabate, S
2014-10-14
New bi-layer PFSA membranes made of Nafion® NRE212 and Aquivion™ E79-05s with different equivalent weights are prepared with the aim of managing water repartition in the PEMFC. The membrane water transport properties, i.e. back-diffusion and electroosmosis, as well as the electrochemical performances, are compared to those of state-of-art materials. The actual water content (the inner water concentration profile across the membrane thickness) is measured under operation in the fuel cell by in situ Raman microspectroscopy. The orientation of the equivalent weight gradient with respect to the water external gradient and to the proton flow direction affects the membrane water content, the water transport ability and, thus, the fuel cell performances. Higher power outputs, related to lower ohmic losses, are observed when the membrane is assembled with the lower equivalent weight layer (Aquivion™) at the anode side. This orientation, corresponding to enhanced water transport by back-flow while electroosmosis remains unaffected, results in the higher hydration of the membrane and of the anode active layer during operation. Also, polarization data suggest a different water repartition in the fuel cell along the on-plane direction. Even if the interest in multi-layer PFSA membranes as perspective electrolytes for PEMFCs is not definitively attested, these materials appear to be excellent model systems to establish relationships between the membrane transport properties, the water distribution in the fuel cell and the electrochemical performances. Thanks to the micrometric resolution, in situ Raman microspectroscopy proves to be a unique tool to measure the actual hydration of the membrane at the surface swept by the hydrated feed gases during operation, so that it can be used as a local probe of the water concentration evolution along the gas distribution channels according to changing working conditions.
Yu, Alex; Jackson, Trachette; Tsume, Yasuhiro; Koenigsknecht, Mark; Wysocki, Jeffrey; Marciani, Luca; Amidon, Gordon L; Frances, Ann; Baker, Jason R; Hasler, William; Wen, Bo; Pai, Amit; Sun, Duxin
2017-11-01
Gastrointestinal (GI) fluid volume and its dynamic change are integral to study drug disintegration, dissolution, transit, and absorption. However, key questions regarding the local volume and its absorption, secretion, and transit remain unanswered. The dynamic fluid compartment absorption and transit (DFCAT) model is proposed to estimate in vivo GI volume and GI fluid transport based on magnetic resonance imaging (MRI) quantified fluid volume. The model was validated using GI local concentration of phenol red in human GI tract, which was directly measured by human GI intubation study after oral dosing of non-absorbable phenol red. The measured local GI concentration of phenol red ranged from 0.05 to 168 μg/mL (stomach), to 563 μg/mL (duodenum), to 202 μg/mL (proximal jejunum), and to 478 μg/mL (distal jejunum). The DFCAT model characterized observed MRI fluid volume and its dynamic changes from 275 to 46.5 mL in stomach (from 0 to 30 min) with mucus layer volume of 40 mL. The volumes of the 30 small intestine compartments were characterized by a max of 14.98 mL to a min of 0.26 mL (0-120 min) and a mucus layer volume of 5 mL per compartment. Regional fluid volumes over 0 to 120 min ranged from 5.6 to 20.38 mL in the proximal small intestine, 36.4 to 44.08 mL in distal small intestine, and from 42 to 64.46 mL in total small intestine. The DFCAT model can be applied to predict drug dissolution and absorption in the human GI tract with future improvements.
Effect of Ca2+ on the morphology of mixed DPPC-DOPS supported phospholipid bilayers
Reviakine, [No Value; Simon, A; Brisson, A
2000-01-01
The morphology of supported phospholipid bilayers (SPBs) containing mixtures of phospholipids in gel (dipalmitoyl phosphatidylcholine, DPPC) and fluid (dioleoyl phosphatidylserine (DOPS) or -choline (DOPC)) states at room temperature was investigated by atomic force microscopy (AFM). Fluid-gel phase
Narendra, C; Srinath, M S; Babu, Ganesh
2006-04-07
The purpose of the present study was to develop an optimized gastric floating drug delivery system (GFDDS) containing metoprolol tartrate (MT) as a model drug by the optimization technique. A 2(3) factorial design was employed in formulating the GFDDS with total polymer content-to-drug ratio (X1), polymer-to-polymer ratio (X2), and different viscosity grades of hydroxypropyl methyl cellulose (HPMC) (X3) as independent variables. Four dependent variables were considered: percentage of MT release at 8 hours, T50%, diffusion coefficient, and floating time. The main effect and interaction terms were quantitatively evaluated using a mathematical model. The results indicate that X1 and X2 significantly affected the floating time and release properties, but the effect of different viscosity grades of HPMC (K4M and K10M) was nonsignificant. Regression analysis and numerical optimization were performed to identify the best formulation. Fickian release transport was confirmed as the release mechanism from the optimized formulation. The predicted values agreed well with the experimental values, and the results demonstrate the feasibility of the model in the development of GFDDS.
A dynamic neutral fluid model for the PIC scheme
Wu, Alan; Lieberman, Michael; Verboncoeur, John
2010-11-01
Fluid diffusion is an important aspect of plasma simulation. A new dynamic model is implemented using the continuity and boundary equations in OOPD1, an object oriented one-dimensional particle-in-cell code developed at UC Berkeley. The model is described and compared with analytical methods given in [1]. A boundary absorption parameter can be adjusted from ideal absorption to ideal reflection. Simulations exhibit good agreement with analytic time dependent solutions for the two ideal cases, as well as steady state solutions for mixed cases. For the next step, fluid sources and sinks due to particle-particle or particle-fluid collisions within the simulation volume and to surface reactions resulting in emission or absorption of fluid species will be implemented. The resulting dynamic interaction between particle and fluid species will be an improvement to the static fluid in the existing code. As the final step in the development, diffusion for multiple fluid species will be implemented. [4pt] [1] M.A. Lieberman and A.J. Lichtenberg, Principles of Plasma Discharges and Materials Processing, 2nd Ed, Wiley, 2005.
Fluid flow modeling in complex areas*, **
Directory of Open Access Journals (Sweden)
Poullet Pascal
2012-04-01
Full Text Available We show first results of 3D simulation of sea currents in a realistic context. We use the full Navier–Stokes equations for incompressible viscous fluid. The problem is solved using a second order incremental projection method associated with the finite volume of the staggered (MAC scheme for the spatial discretization. After validation on classical cases, it is used in a numerical simulation of the Pointe à Pitre harbour area. The use of the fictious domain method permits us to take into account the complexity of bathymetric data and allows us to work with regular meshes and thus preserves the efficiency essential for a 3D code. Dans cette étude, nous présentons les premiers résultats de simulation d’un écoulement d’un fluide incompressible visqueux dans un contexte environnemental réel. L’approche utilisée utilise une méthode de domaines fictifs pour une prise en compte d’un domaine physique tridimensionnel très irrégulier. Le schéma numérique combine un schéma de projection incrémentale et des volumes finis utilisant des volumes de contrôle adaptés à un maillage décalé. Les tests de validation sont menés pour les cas tests de la cavité double entraînée ainsi que l’écoulement dans un canal avec un obstacle placé de manière asymmétrique.
Asymptotic Solution of a Model for Bilayer Organic Diodes and Solar Cells
Richardson, Giles
2012-11-15
Organic diodes and solar cells are constructed by placing together two organic semiconducting materials with dissimilar electron affinities and ionization potentials. The electrical behavior of such devices has been successfully modeled numerically using conventional drift diffusion together with recombination (which is usually assumed to be bimolecular) and thermal generation. Here a particular model is considered and the dark current-voltage curve and the spatial structure of the solution across the device is extracted analytically using asymptotic methods. We concentrate on the case of Shockley-Read-Hall recombination but note the extension to other recombination mechanisms. We find that there are three regimes of behavior, dependent on the total current. For small currents-i.e., at reverse bias or moderate forward bias-the structure of the solution is independent of the total current. For large currents-i.e., at strong forward bias-the current varies linearly with the voltage and is primarily controlled by drift of charges in the organic layers. There is then a narrow range of currents where the behavior undergoes a transition between the two regimes. The magnitude of the parameter that quantifies the interfacial recombination rate is critical in determining where the transition occurs. The extension of the theory to organic solar cells generating current under illumination is discussed as is the analogous current-voltage curves derived where the photo current is small. Finally, by comparing the analytic results to real experimental data, we show how the model parameters can be extracted from the shape of current-voltage curves measured in the dark. © 2012 Society for Industrial and Applied Mathematics.
Asymptotic Solution of a Model for Bilayer Organic Diodes and Solar Cells
Richardson, Giles; Please, Colin; Foster, Jamie; Kirkpatrick, James
2012-01-01
Organic diodes and solar cells are constructed by placing together two organic semiconducting materials with dissimilar electron affinities and ionization potentials. The electrical behavior of such devices has been successfully modeled numerically using conventional drift diffusion together with recombination (which is usually assumed to be bimolecular) and thermal generation. Here a particular model is considered and the dark current-voltage curve and the spatial structure of the solution across the device is extracted analytically using asymptotic methods. We concentrate on the case of Shockley-Read-Hall recombination but note the extension to other recombination mechanisms. We find that there are three regimes of behavior, dependent on the total current. For small currents-i.e., at reverse bias or moderate forward bias-the structure of the solution is independent of the total current. For large currents-i.e., at strong forward bias-the current varies linearly with the voltage and is primarily controlled by drift of charges in the organic layers. There is then a narrow range of currents where the behavior undergoes a transition between the two regimes. The magnitude of the parameter that quantifies the interfacial recombination rate is critical in determining where the transition occurs. The extension of the theory to organic solar cells generating current under illumination is discussed as is the analogous current-voltage curves derived where the photo current is small. Finally, by comparing the analytic results to real experimental data, we show how the model parameters can be extracted from the shape of current-voltage curves measured in the dark. © 2012 Society for Industrial and Applied Mathematics.
On the hydrodynamics of a solvent-saturated lipid bilayer. 1. Model of repulsion
International Nuclear Information System (INIS)
Bish, P.M.; Wendel, H.
1983-01-01
A semiphenomenological theory of steric repulsion in black lipid films is developed. The model employs the statistical mechanical formulation of the van der Waals theory of simple liquid-vapour interfaces; it is based on the picture that upon diminishing the film thickness the adjacent interfacial layers start overlapping in the film center raising the degree of orientation of the hydrocarbon segments present there. This fact causes a mutual repulsion of the two film surfaces. The general order parameter profile is found to depend on two parameters which are fixed by means of the results of an experiment which recorded the repulsive force as a function of film thickness. (Author) [pt
O'Leary, Cian; Cavanagh, Brenton; Unger, Ronald E; Kirkpatrick, C James; O'Dea, Shirley; O'Brien, Fergal J; Cryan, Sally-Ann
2016-04-01
Today, chronic respiratory disease is one of the leading causes of mortality globally. Epithelial dysfunction can play a central role in its pathophysiology. The development of physiologically-representative in vitro model systems using tissue-engineered constructs might improve our understanding of epithelial tissue and disease. This study sought to engineer a bilayered collagen-hyaluronate (CHyA-B) scaffold for the development of a physiologically-representative 3D in vitro tracheobronchial epithelial co-culture model. CHyA-B scaffolds were fabricated by integrating a thin film top-layer into a porous sub-layer with lyophilisation. The film layer firmly connected to the sub-layer with delamination occurring at stresses of 12-15 kPa. Crosslinked scaffolds had a compressive modulus of 1.9 kPa and mean pore diameters of 70 μm and 80 μm, depending on the freezing temperature. Histological analysis showed that the Calu-3 bronchial epithelial cell line attached and grew on CHyA-B with adoption of an epithelial monolayer on the film layer. Immunofluorescence and qRT-PCR studies demonstrated that the CHyA-B scaffolds facilitated Calu-3 cell differentiation, with enhanced mucin expression, increased ciliation and the formation of intercellular tight junctions. Co-culture of Calu-3 cells with Wi38 lung fibroblasts was achieved on the scaffold to create a submucosal tissue analogue of the upper respiratory tract, validating CHyA-B as a platform to support co-culture and cellular organisation reminiscent of in vivo tissue architecture. In summary, this study has demonstrated that CHyA-B is a promising tool for the development of novel 3D tracheobronchial co-culture in vitro models with the potential to unravel new pathways in drug discovery and drug delivery. Copyright © 2016 Elsevier Ltd. All rights reserved.
Viscoelastic deformation of lipid bilayer vesicles†
Wu, Shao-Hua; Sankhagowit, Shalene; Biswas, Roshni; Wu, Shuyang; Povinelli, Michelle L.
2015-01-01
Lipid bilayers form the boundaries of the cell and its organelles. Many physiological processes, such as cell movement and division, involve bending and folding of the bilayer at high curvatures. Currently, bending of the bilayer is treated as an elastic deformation, such that its stress-strain response is independent of the rate at which bending strain is applied. We present here the first direct measurement of viscoelastic response in a lipid bilayer vesicle. We used a dual-beam optical trap (DBOT) to stretch 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) giant unilamellar vesicles (GUVs). Upon application of a step optical force, the vesicle membrane deforms in two regimes: a fast, instantaneous area increase, followed by a much slower stretching to an eventual plateau deformation. From measurements of dozens of GUVs, the average time constant of the slower stretching response was 0.225 ± 0.033 s (standard deviation, SD). Increasing the fluid viscosity did not affect the observed time constant. We performed a set of experiments to rule out heating by laser absorption as a cause of the transient behavior. Thus, we demonstrate here that the bending deformation of lipid bilayer membranes should be treated as viscoelastic. PMID:26268612
Viscoelastic deformation of lipid bilayer vesicles.
Wu, Shao-Hua; Sankhagowit, Shalene; Biswas, Roshni; Wu, Shuyang; Povinelli, Michelle L; Malmstadt, Noah
2015-10-07
Lipid bilayers form the boundaries of the cell and its organelles. Many physiological processes, such as cell movement and division, involve bending and folding of the bilayer at high curvatures. Currently, bending of the bilayer is treated as an elastic deformation, such that its stress-strain response is independent of the rate at which bending strain is applied. We present here the first direct measurement of viscoelastic response in a lipid bilayer vesicle. We used a dual-beam optical trap (DBOT) to stretch 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) giant unilamellar vesicles (GUVs). Upon application of a step optical force, the vesicle membrane deforms in two regimes: a fast, instantaneous area increase, followed by a much slower stretching to an eventual plateau deformation. From measurements of dozens of GUVs, the average time constant of the slower stretching response was 0.225 ± 0.033 s (standard deviation, SD). Increasing the fluid viscosity did not affect the observed time constant. We performed a set of experiments to rule out heating by laser absorption as a cause of the transient behavior. Thus, we demonstrate here that the bending deformation of lipid bilayer membranes should be treated as viscoelastic.
A computational model for doctoring fluid films in gravure printing
Energy Technology Data Exchange (ETDEWEB)
Hariprasad, Daniel S., E-mail: dshari@unm.edu [Center for Micro-Engineered Materials, University of New Mexico, Albuquerque, New Mexico 87131-0001 (United States); Grau, Gerd [Department of Electrical Engineering and Computer Sciences, University of California, Berkeley, Berkeley, California 94720-1770 (United States); Schunk, P. Randall [Center for Micro-Engineered Materials, University of New Mexico, Albuquerque, New Mexico 87131-0001 (United States); Advanced Materials Laboratory, Sandia National Laboratories, Albuquerque, New Mexico 87185-0826 (United States); Department of Chemical and Biological Engineering, University of New Mexico, Albuquerque, New Mexico 87131-0001 (United States); Tjiptowidjojo, Kristianto [Center for Micro-Engineered Materials, University of New Mexico, Albuquerque, New Mexico 87131-0001 (United States); Department of Chemical and Biological Engineering, University of New Mexico, Albuquerque, New Mexico 87131-0001 (United States)
2016-04-07
The wiping, or doctoring, process in gravure printing presents a fundamental barrier to resolving the micron-sized features desired in printed electronics applications. This barrier starts with the residual fluid film left behind after wiping, and its importance grows as feature sizes are reduced, especially as the feature size approaches the thickness of the residual fluid film. In this work, various mechanical complexities are considered in a computational model developed to predict the residual fluid film thickness. Lubrication models alone are inadequate, and deformation of the doctor blade body together with elastohydrodynamic lubrication must be considered to make the model predictive of experimental trends. Moreover, model results demonstrate that the particular form of the wetted region of the blade has a significant impact on the model's ability to reproduce experimental measurements.
Gyro-Landau fluid model of tokamak core fluctuations
International Nuclear Information System (INIS)
Leboeuf, J.N.; Carreras, B.A.; Dominguez, N.; Hedrick, C.L.; Sidikman, K.L.; Lynch, V.E.; Drake, J.B.; Walker, D.W.
1992-01-01
Dissipative trapped electron modes (DTEM) may be one of the causes of deterioration of confinement in tokamak and stellatator plasmas. We have implemented a fluid model to study DTEM turbulence in slab geometry. The electron dynamics include in addition to the adiabatic part, a non-adiabatic piece modeled with an i-delta-type response. The ion dynamics include Landau damping and FLR corrections through Landau fluid approximate techniques and Pade approximants for Γ 0 (b)=I 0 (b)e -b . The model follows from the gyrokinetic equation. Evolution equations, which closely resemble those used in standard reduced MHD, are presented since these are better suited to non-linear calculations. The numerical results of radially resolved calculations will be discussed. A recently developed hybrid model, which consists of a gyrokinetic implementation for the ions using particles and the same description for the electron dynamics as in the fluid model, will also be presented
Numerical Modeling of Conjugate Heat Transfer in Fluid Network
Majumdar, Alok
2004-01-01
Fluid network modeling with conjugate heat transfer has many applications in Aerospace engineering. In modeling unsteady flow with heat transfer, it is important to know the variation of wall temperature in time and space to calculate heat transfer between solid to fluid. Since wall temperature is a function of flow, a coupled analysis of temperature of solid and fluid is necessary. In cryogenic applications, modeling of conjugate heat transfer is of great importance to correctly predict boil-off rate in propellant tanks and chill down of transfer lines. In TFAWS 2003, the present author delivered a paper to describe a general-purpose computer program, GFSSP (Generalized Fluid System Simulation Program). GFSSP calculates flow distribution in complex flow circuit for compressible/incompressible, with or without heat transfer or phase change in all real fluids or mixtures. The flow circuit constitutes of fluid nodes and branches. The mass, energy and specie conservation equations are solved at the nodes where as momentum conservation equations are solved at the branches. The proposed paper describes the extension of GFSSP to model conjugate heat transfer. The network also includes solid nodes and conductors in addition to fluid nodes and branches. The energy conservation equations for solid nodes solves to determine the temperatures of the solid nodes simultaneously with all conservation equations governing fluid flow. The numerical scheme accounts for conduction, convection and radiation heat transfer. The paper will also describe the applications of the code to predict chill down of cryogenic transfer line and boil-off rate of cryogenic propellant storage tank.
Local lattice-gas model for immiscible fluids
International Nuclear Information System (INIS)
Chen, S.; Doolen, G.D.; Eggert, K.; Grunau, D.; Loh, E.Y.
1991-01-01
We present a lattice-gas model for two-dimensional immiscible fluid flows with surface tension that uses strictly local collision rules. Instead of using a local total color flux as Somers and Rem [Physica D 47, 39 (1991)], we use local colored holes to be the memory of particles of the same color. Interactions between walls and fluids are included that produce arbitrary contact angles
A Modeling of Compressible Droplets in a Fluid
Boudin, Laurent; Desvilletter, Laurent; Motte, Renaud
2003-01-01
In this work, we are interested in a complex fluid-kinetic model that aims to take into account the compressibility of the droplets of the spray. The ambient fluid is described by Euler-like equations, in which the transfer of momentum and energy form the droplets is taken into account, while the spray is represented by a probability density function satisfying a Vlasov-like equation. Implicit terms crop up because of the compressibility of the droplets. After having derived...
Meteorological fluid dynamics asymptotic modelling, stability and chaotic atmospheric motion
Zeytounian, Radyadour K
1991-01-01
The author considers meteorology as a part of fluid dynamics. He tries to derive the properties of atmospheric flows from a rational analysis of the Navier-Stokes equations, at the same time analyzing various types of initial and boundary problems. This approach to simulate nature by models from fluid dynamics will be of interest to both scientists and students of physics and theoretical meteorology.
Engineering plant membranes using droplet interface bilayers.
Barlow, N E; Smpokou, E; Friddin, M S; Macey, R; Gould, I R; Turnbull, C; Flemming, A J; Brooks, N J; Ces, O; Barter, L M C
2017-03-01
Droplet interface bilayers (DIBs) have become widely recognised as a robust platform for constructing model membranes and are emerging as a key technology for the bottom-up assembly of synthetic cell-like and tissue-like structures. DIBs are formed when lipid-monolayer coated water droplets are brought together inside a well of oil, which is excluded from the interface as the DIB forms. The unique features of the system, compared to traditional approaches (e.g., supported lipid bilayers, black lipid membranes, and liposomes), is the ability to engineer multi-layered bilayer networks by connecting multiple droplets together in 3D, and the capability to impart bilayer asymmetry freely within these droplet architectures by supplying droplets with different lipids. Yet despite these achievements, one potential limitation of the technology is that DIBs formed from biologically relevant components have not been well studied. This could limit the reach of the platform to biological systems where bilayer composition and asymmetry are understood to play a key role. Herein, we address this issue by reporting the assembly of asymmetric DIBs designed to replicate the plasma membrane compositions of three different plant species; Arabidopsis thaliana , tobacco, and oats, by engineering vesicles with different amounts of plant phospholipids, sterols and cerebrosides for the first time. We show that vesicles made from our plant lipid formulations are stable and can be used to assemble asymmetric plant DIBs. We verify this using a bilayer permeation assay, from which we extract values for absolute effective bilayer permeation and bilayer stability. Our results confirm that stable DIBs can be assembled from our plant membrane mimics and could lead to new approaches for assembling model systems to study membrane translocation and to screen new agrochemicals in plants.
Four-fluid model of PWR degraded cores
International Nuclear Information System (INIS)
Dearing, J.F.
1985-01-01
This paper describes the new two-dimensional, four-fluid fluid dynamics and heat transfer (FLUIDS) module of the MELPROG code. MELPROG is designed to give an integrated, mechanistic treatment of pressurized water reactor (PWR) core meltdown accidents from accident initiation to vessel melt-through. The code has a modular data storage and transfer structure, with each module providing the others with boundary conditions at each computational time step. Thus the FLUIDS module receives mass and energy source terms from the fuel pin module, the structures module, and the debris bed module, and radiation energy source terms from the radiation module. MELPROG, which models the reactor vessel, is also designed to model the vessel as a component in the TRAC/PF1 networking solution of a PWR reactor coolant system (RCS). The coupling between TRAC and MELPROG is implicit in the fluid dynamics of the reactor coolant (liquid water and steam) allowing an accurate simulation of the coupling between the vessel and the rest of the RCS during an accident. This paper deals specifically with the numerical model of fluid dynamics and heat transfer within the reactor vessel, which allows a much more realistic simulation (with less restrictive assumptions on physical behavior) of the accident than has been possible before
Reactions of radicals with lecithin bilayers
International Nuclear Information System (INIS)
Barber, D.J.W.; Thomas, J.K.
1978-01-01
The kinetics of reaction of .OH and e/sub aq/ - with lecithin bilayers have been measured. The rate for .OH + lecithin is 5.1 +- 0.9 x 10 8 M -1 sec -1 while the e/sub aq/ - + lecithin rate is very slow. When a solute such as pyrene is solubilized in the bilayer, .OH and e/sub aq/ - may react with the solute; rates of 1.65 +- 0.12 x 10 9 M -1 sec -1 and 7 x 10 7 M -1 sec -1 have been measured for reaction of .OH and e/sub aq/ - , respectively, with pyrene in lecithin. These rates are lower than those observed for similar reactions in homogeneous systems. This is explained in terms of (a) the protective effect of the bilayer, this being especially true for e/sub aq/ - which does not readily leave the aqueous phase, and (b) in terms of the restricted diffusion imposed on the reactive species by the bilayer. The kinetics in these model systems are relevant to reactions of radicals with membranes. Long-term alteration in the model membrane following .OH attack is manifested in terms of damage to the head group, increasing water penetration of the bilayer, and of cross-linking with the membrane, thereby restricting motion in the interior of the bilayer. Increased rigidity and leakiness of membranes is an expected consequence of radiation damage
Dynamic Modeling of ThermoFluid Systems
DEFF Research Database (Denmark)
Jensen, Jakob Munch
2003-01-01
The objective of the present study has been to developed dynamic models for two-phase flow in pipes (evaporation and condensation). Special attention has been given to modeling evaporators for refrigeration plant particular dry-expansion evaporators. Models of different complexity have been...... formulated. The different models deviate with respect to the detail¿s included and calculation time in connection with simulation. The models have been implemented in a new library named ThermoTwoPhase to the programming language Modelica. A test rig has been built with an evaporator instrumented in a way...
A Mathematical Model for Swallowing of Concentrated Fluids in Oesophagus
Directory of Open Access Journals (Sweden)
S. K. Pandey
2011-01-01
Full Text Available This model investigates particularly the impact of an integral and a non-integral number of waves on the swallowing of food stuff such as jelly, tomato puree, soup, concentrated fruits juices and honey transported peristaltically through the oesophagus. The fluid is considered as a Casson fluid. Emphasis is on the study of the dependence of local pressure distribution on space and time. Mechanical efficiency, reflux limit and trapping are also discussed. The effect of Casson fluid vis-à-vis Newtonian fluid is investigated analytically and numerically too. The result is physically interpreted as that the oesophagus makes more efforts to swallow fluids with higher concentration. It is observed that the pressure is uniformly distributed when an integral number of waves is there in the oesophagus; but it is non-uniform when a non-integral number of waves is present therein. It is further observed that as the plug flow region widens, the pressure difference increases, which indicates that the averaged flow rate will reduce for a Casson fluid. It is also concluded that Casson fluids are more prone to reflux.
Two-oscillator model of trapped-modes interaction in a nonlinear bilayer fish-scale metamaterial
Tuz, Vladimir R.; Kochetov, Bogdan A.; Kochetova, Lyudmila A.; Mladyonov, Pavel L.; Prosvirnin, Sergey L.
2014-01-01
We discuss the similarity between the nature of resonant oscillations in two nonlinear systems, namely, a chain of coupled Duffing oscillators and a bilayer fish-scale metamaterial. In such systems two different resonant states arise which differ in their spectral lines. The spectral line of the first resonant state has a Lorentzian form, while the second one has a Fano form. This difference leads to a specific nonlinear response of the systems which manifests itself in appearance of closed l...
Laszlo Tisza and the two-fluid model of superfluidity
Balibar, Sébastien
2017-11-01
The "two-fluid model" of superfluidity was first introduced by Laszlo Tisza in 1938. On that year, Tisza published the principles of his model as a brief note in Nature and two articles in French in the Comptes rendus de l'Académie des sciences, followed in 1940 by two other articles in French in the Journal de physique et le Radium. In 1941, the two-fluid model was reformulated by Lev Landau on a more rigorous basis. Successive experiments confirmed the revolutionary idea introduced by Tisza: superfluid helium is indeed a surprising mixture of two fluids with independent velocity fields. His prediction of the existence of heat waves, a consequence of his model, was also confirmed. Then, it took several decades for the superfluidity of liquid helium to be fully understood.
Extended two-fluid model for simulating magneto-rheological fluid flows
International Nuclear Information System (INIS)
Shivaram, A C
2011-01-01
The current practice of designing magneto-rheological (MR) fluid-based devices is, to a large extent, based on simple phenomenological models like the Bingham model. Though useful for initial force or torque estimation and sizing, these models lack the capability to predict performance degradation due to changes in the particle volume fraction distribution. The present work demonstrates the use of the two-fluid model for predicting the particle volume fraction distribution inside a device in the absence of a field and proposes a novel modeling scheme which can simulate the fluid flow in the presence of a field. This modeling scheme can be used to (a) visualize flow patterns inside a device under various operating conditions, (b) predict the spatial distribution of particles inside a device after multiple operating cycles, (c) assist in estimating the extent of performance degradation due to non-uniform particle distribution and (d) enable testing of various design strategies to mitigate such performance issues using simulations. This is illustrated through numerical examples of a few case studies of typical MR device configurations
Physical modelling and the poroelastic model with application to fluid detection in a VTI medium
International Nuclear Information System (INIS)
Li, Shengjie
2013-01-01
In this paper, both poroelasticity theory and pre-stack inversions have been combined to generate a flexible way to derive an effective fluid factor, which is then used to identify the presence of the hydrocarbon in weakly anisotropic VTI reservoirs. The effective fluid factor has been derived by using an approximate fluid substitution equation for anisotropic VTI media. The approximate equation provides a means of performing fluid substitution for elastic moduli along the vertical symmetry axis of a VTI medium with fewer elastic moduli. The effective fluid factor can be used to analyse the sensitivity of seismic attributes to fluid content. In order to examine the effectiveness of the effective fluid factor, an anisotropic physical model has been constructed. The rock properties of artificial sandstone used as a reservoir building material are properly selected by using an empirical model and Gassmann's equation. An effort is made to ensure the physical modelling data represent the 'true’ response of different fluid-filled sands. The fluid detection method is then applied to interpret the inverted seismic impedance obtained from physical modelling seismic data with some known gas-sands and wet-sands. The results shows that the interpretive resolution of seismic fluid detection has been dramatically improved by using the effective fluid factor. In addition, more information on lateral changes in fluid content can be distinguished. This study has demonstrated the potential of this method in detecting different fluid content in weakly anisotropic VTI reservoirs. (paper)
Generalized Roe's numerical scheme for a two-fluid model
International Nuclear Information System (INIS)
Toumi, I.; Raymond, P.
1993-01-01
This paper is devoted to a mathematical and numerical study of a six equation two-fluid model. We will prove that the model is strictly hyperbolic due to the inclusion of the virtual mass force term in the phasic momentum equations. The two-fluid model is naturally written under a nonconservative form. To solve the nonlinear Riemann problem for this nonconservative hyperbolic system, a generalized Roe's approximate Riemann solver, is used, based on a linearization of the nonconservative terms. A Godunov type numerical scheme is built, using this approximate Riemann solver. 10 refs., 5 figs,
Liu, Lixia
2013-06-21
When a phospholipid monolayer containing a zinc-coordinated porphyrin species formed atop a self-assembled monolayer of heptadecafluoro-1-decanethiol (CF3(CF2)7(CH2)2SH) is subjected to photoelectrochemical current generation, a significant modulation effect is observed. Compared with devices that contain similar photoactive lipid monolayers but formed on 1-dodecanethiol SAMs, these fluorinated hybrid bilayers produce a >60 % increase in cathodic currents and a similar decrease in anodic currents. Photovoltages recorded from these hybrid bilayers are found to vary in the same fashion. The modulation of photovoltaic responses in these hybrid-bilayer-based devices is explained by the opposite surface dipoles associated with the thiols employed in this study, which in one case (fluorothiol) increase and in another (alkanethiol) decrease the work function of the underlying gold substrates. A similar trend of photovoltage/photocurrent modulation is also observed if fullerene is used as the photoagent in these devices. Our results reveal the intricacy of orientated surface dipole in influencing the photovoltaic processes, and its subtle interplay with other factors related to the photoagents, such as their location and orientation within the organic matrix. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Liu, Lixia; Xie, Hong; Bostic, Heidi E.; Jin, Limei; Best, Michael D.; Zhang, X. Peter; Zhan, Wei
2013-01-01
When a phospholipid monolayer containing a zinc-coordinated porphyrin species formed atop a self-assembled monolayer of heptadecafluoro-1-decanethiol (CF3(CF2)7(CH2)2SH) is subjected to photoelectrochemical current generation, a significant modulation effect is observed. Compared with devices that contain similar photoactive lipid monolayers but formed on 1-dodecanethiol SAMs, these fluorinated hybrid bilayers produce a >60 % increase in cathodic currents and a similar decrease in anodic currents. Photovoltages recorded from these hybrid bilayers are found to vary in the same fashion. The modulation of photovoltaic responses in these hybrid-bilayer-based devices is explained by the opposite surface dipoles associated with the thiols employed in this study, which in one case (fluorothiol) increase and in another (alkanethiol) decrease the work function of the underlying gold substrates. A similar trend of photovoltage/photocurrent modulation is also observed if fullerene is used as the photoagent in these devices. Our results reveal the intricacy of orientated surface dipole in influencing the photovoltaic processes, and its subtle interplay with other factors related to the photoagents, such as their location and orientation within the organic matrix. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Discrete modeling considerations in multiphase fluid dynamics
International Nuclear Information System (INIS)
Ransom, V.H.; Ramshaw, J.D.
1988-01-01
The modeling of multiphase flows play a fundamental role in light water reactor safety. The main ingredients in our discrete modeling Weltanschauung are the following considerations: (1) Any physical model must be cast into discrete form for a digital computer. (2) The usual approach of formulating models in differential form and then discretizing them is potentially hazardous. It may be preferable to formulate the model in discrete terms from the outset. (3) Computer time and storage constraints limit the resolution that can be employed in practical calculations. These limits effectively define the physical phenomena, length scales, and time scales which cannot be directly represented in the calculation and therefore must be modeled. This information should be injected into the model formulation process at an early stage. (4) Practical resolution limits are generally so coarse that traditional convergence and truncation-error analyses become irrelevant. (5) A discrete model constitutes a reduced description of a physical system, from which fine-scale details are eliminated. This elimination creates a statistical closure problem. Methods from statistical physics may therefore be useful in the formulation of discrete models. In the present paper we elaborate on these themes and illustrate them with simple examples. 48 refs
Electronic transport in bilayer graphene
International Nuclear Information System (INIS)
Koshino, Mikito
2009-01-01
We present theoretical studies on the transport properties and localization effects of bilayer graphene. We calculate the conductivity by using the effective mass model with the self-consistent Born approximation, in the presence and absence of an energy gap opened by the interlayer asymmetry. We find that, in the absence of the gap, the minimum conductivity approaches the universal value by increasing the disorder potential, and the value is robust in the strong disorder regime where mixing with high-energy states is considerable. The gap-opening suppresses the conductivity over a wide energy range, even in the region away from the gap.We also study the localization effects in the vicinity of zero energy in bilayer graphene. We find that the states are all localized in the absence of the gap, while the gap-opening causes a phase transition analogous to the quantum Hall transition, which is accompanied by electron delocalization.
Tian, Xi; Li, Jiangbo; Wang, Qingyan; Fan, Shuxiang; Huang, Wenqian
2018-01-15
Hyperspectral imaging technology was used to investigate the effect of various peel colors on soluble solids content (SSC) prediction model and build a SSC model insensitive to the color distribution of apple peel. The SSC and peel pigments were measured, effective wavelengths (EWs) of SSC and pigments were selected from the acquired hyperspectral images of the intact and peeled apple samples, respectively. The effect of pigments on the SSC prediction was studied and optimal SSC EWs were selected from the peel-flesh layers spectra after removing the chlorophyll and anthocyanin EWs. Then, the optimal bi-layer model for SSC prediction was built based on the finally selected optimal SSC EWs. Results showed that the correlation coefficient of prediction, root mean square error of prediction and selected bands of the bi-layer model were 0.9560, 0.2528 and 41, respectively, which will be more acceptable for future online SSC prediction of various colors of apple. Copyright © 2017 Elsevier Ltd. All rights reserved.
Flow modelling of a newtonian fluid by two regions- the region of pure fluid and porous region
International Nuclear Information System (INIS)
Sampaio, R.; Gama, R.M.S. da
1983-01-01
A model of flow with two regions is presented using mixture theory. One region contains only pure fluid and the other a mixture of fluid and porous rigid solid. Compatibility conditons on the pure fluid-mixture interface are carefully discussed. The theory is used to solve a problem of a flow induced by pressure gradient and helicoidal motion of an impermeable cylinder on two rings one of pure fluid and another of mixture. (Author) [pt
Modeling of Phase Equilibria Containing Associating Fluids
DEFF Research Database (Denmark)
Derawi, Samer; Kontogeorgis, Georgios
. The background and main targets for this thesis are presented in Chapter 1. In Chapter 2, a comprehensive review of the application of group contribution (GC) models such as various forms of UNIFAC and the so-called AFC (Atom and Fragment Contributions) correlation model for Pow (octanol-water partition...
Modelling Emission from Building Materials with Computational Fluid Dynamics
DEFF Research Database (Denmark)
Topp, Claus; Nielsen, Peter V.; Heiselberg, Per
This paper presents a numerical model that by means of computational fluid dynamics (CFD) is capable of dealing with both pollutant transport across the boundary layer and internal diffusion in the source without prior knowledge of which is the limiting process. The model provides the concentration...
Cheng, Lei; Li, Yizeng; Grosh, Karl
2013-08-15
An approximate boundary condition is developed in this paper to model fluid shear viscosity at boundaries of coupled fluid-structure system. The effect of shear viscosity is approximated by a correction term to the inviscid boundary condition, written in terms of second order in-plane derivatives of pressure. Both thin and thick viscous boundary layer approximations are formulated; the latter subsumes the former. These approximations are used to develop a variational formation, upon which a viscous finite element method (FEM) model is based, requiring only minor modifications to the boundary integral contributions of an existing inviscid FEM model. Since this FEM formulation has only one degree of freedom for pressure, it holds a great computational advantage over the conventional viscous FEM formulation which requires discretization of the full set of linearized Navier-Stokes equations. The results from thick viscous boundary layer approximation are found to be in good agreement with the prediction from a Navier-Stokes model. When applicable, thin viscous boundary layer approximation also gives accurate results with computational simplicity compared to the thick boundary layer formulation. Direct comparison of simulation results using the boundary layer approximations and a full, linearized Navier-Stokes model are made and used to evaluate the accuracy of the approximate technique. Guidelines are given for the parameter ranges over which the accurate application of the thick and thin boundary approximations can be used for a fluid-structure interaction problem.
Proton permeation of lipid bilayers.
Deamer, D W
1987-10-01
Proton permeation of the lipid bilayer barrier has two unique features. First, permeability coefficients measured at neutral pH ranges are six to seven orders of magnitude greater than expected from knowledge of other monovalent cations. Second, proton conductance across planar lipid bilayers varies at most by a factor of 10 when pH is varied from near 1 to near 11. Two mechanisms have been proposed to account for this anomalous behavior: proton conductance related to contaminants of lipid bilayers, and proton translocation along transient hydrogen-bonded chains (tHBC) of associated water molecules in the membrane. The weight of evidence suggests that trace contaminants may contribute to proton conductance across planar lipid membranes at certain pH ranges, but cannot account for the anomalous proton flux in liposome systems. Two new results will be reported here which were designed to test the tHBC model. These include measurements of relative proton/potassium permeability in the gramicidin channel, and plots of proton flux against the magnitude of pH gradients. (1) The relative permeabilities of protons and potassium through the gramicidin channel, which contains a single strand of hydrogen-bonded water molecules, were found to differ by at least four orders of magnitude when measured at neutral pH ranges. This result demonstrates that a hydrogen-bonded chain of water molecules can provide substantial discrimination between protons and other cations. It was also possible to calculate that if approximately 7% of bilayer water was present in a transient configuration similar to that of the gramicidin channel, it could account for the measured proton flux. (2) The plot of proton conductance against pH gradient across liposome membranes was superlinear, a result that is consistent with one of three alternative tHBC models for proton conductance described by Nagle elsewhere in this volume.
Modeling of Non-Isothermal Cryogenic Fluid Sloshing
Agui, Juan H.; Moder, Jeffrey P.
2015-01-01
A computational fluid dynamic model was used to simulate the thermal destratification in an upright self-pressurized cryostat approximately half-filled with liquid nitrogen and subjected to forced sinusoidal lateral shaking. A full three-dimensional computational grid was used to model the tank dynamics, fluid flow and thermodynamics using the ANSYS Fluent code. A non-inertial grid was used which required the addition of momentum and energy source terms to account for the inertial forces, energy transfer and wall reaction forces produced by the shaken tank. The kinetics-based Schrage mass transfer model provided the interfacial mass transfer due to evaporation and condensation at the sloshing interface. The dynamic behavior of the sloshing interface, its amplitude and transition to different wave modes, provided insight into the fluid process at the interface. The tank pressure evolution and temperature profiles compared relatively well with the shaken cryostat experimental test data provided by the Centre National D'Etudes Spatiales.
Particle hopping vs. fluid-dynamical models for traffic flow
Energy Technology Data Exchange (ETDEWEB)
Nagel, K.
1995-12-31
Although particle hopping models have been introduced into traffic science in the 19509, their systematic use has only started recently. Two reasons for this are, that they are advantageous on modem computers, and that recent theoretical developments allow analytical understanding of their properties and therefore more confidence for their use. In principle, particle hopping models fit between microscopic models for driving and fluiddynamical models for traffic flow. In this sense, they also help closing the conceptual gap between these two. This paper shows connections between particle hopping models and traffic flow theory. It shows that the hydrodynamical limits of certain particle hopping models correspond to the Lighthill-Whitham theory for traffic flow, and that only slightly more complex particle hopping models produce already the correct traffic jam dynamics, consistent with recent fluid-dynamical models for traffic flow. By doing so, this paper establishes that, on the macroscopic level, particle hopping models are at least as good as fluid-dynamical models. Yet, particle hopping models have at least two advantages over fluid-dynamical models: they straightforwardly allow microscopic simulations, and they include stochasticity.
Optimization of morphing flaps based on fluid structure interaction modeling
DEFF Research Database (Denmark)
Barlas, Athanasios; Akay, Busra
2018-01-01
This article describes the design optimization of morphing trailing edge flaps for wind turbines with ‘smart blades’. A high fidelity Fluid Structure Interaction (FSI) simulation framework is utilized, comprised of 2D Finite Element Analysis (FEA) and Computational Fluid Dynamics (CFD) models....... A coupled aero-structural simulation of a 10% chordwise length morphing trailing edge flap for a 4 MW wind turbine rotor is carried out and response surfaces are produced with respect to the flap internal geometry design parameters for the design conditions. Surrogate model based optimization is applied...
A numerical model for dynamic crustal-scale fluid flow
Sachau, Till; Bons, Paul; Gomez-Rivas, Enrique; Koehn, Daniel
2015-04-01
Fluid flow in the crust is often envisaged and modeled as continuous, yet minimal flow, which occurs over large geological times. This is a suitable approximation for flow as long as it is solely controlled by the matrix permeability of rocks, which in turn is controlled by viscous compaction of the pore space. However, strong evidence (hydrothermal veins and ore deposits) exists that a significant part of fluid flow in the crust occurs strongly localized in both space and time, controlled by the opening and sealing of hydrofractures. We developed, tested and applied a novel computer code, which considers this dynamic behavior and couples it with steady, Darcian flow controlled by the matrix permeability. In this dual-porosity model, fractures open depending on the fluid pressure relative to the solid pressure. Fractures form when matrix permeability is insufficient to accommodate fluid flow resulting from compaction, decompression (Staude et al. 2009) or metamorphic dehydration reactions (Weisheit et al. 2013). Open fractures can close when the contained fluid either seeps into the matrix or escapes by fracture propagation: mobile hydrofractures (Bons, 2001). In the model, closing and sealing of fractures is controlled by a time-dependent viscous law, which is based on the effective stress and on either Newtonian or non-Newtonian viscosity. Our simulations indicate that the bulk of crustal fluid flow in the middle to lower upper crust is intermittent, highly self-organized, and occurs as mobile hydrofractures. This is due to the low matrix porosity and permeability, combined with a low matrix viscosity and, hence, fast sealing of fractures. Stable fracture networks, generated by fluid overpressure, are restricted to the uppermost crust. Semi-stable fracture networks can develop in an intermediate zone, if a critical overpressure is reached. Flow rates in mobile hydrofractures exceed those in the matrix porosity and fracture networks by orders of magnitude
Two-fluid model for locomotion under self-confinement
Reigh, Shang Yik; Lauga, Eric
2017-09-01
The bacterium Helicobacter pylori causes ulcers in the stomach of humans by invading mucus layers protecting epithelial cells. It does so by chemically changing the rheological properties of the mucus from a high-viscosity gel to a low-viscosity solution in which it may self-propel. We develop a two-fluid model for this process of swimming under self-generated confinement. We solve exactly for the flow and the locomotion speed of a spherical swimmer located in a spherically symmetric system of two Newtonian fluids whose boundary moves with the swimmer. We also treat separately the special case of an immobile outer fluid. In all cases, we characterize the flow fields, their spatial decay, and the impact of both the viscosity ratio and the degree of confinement on the locomotion speed of the model swimmer. The spatial decay of the flow retains the same power-law decay as for locomotion in a single fluid but with a decreased magnitude. Independent of the assumption chosen to characterize the impact of confinement on the actuation applied by the swimmer, its locomotion speed always decreases with an increase in the degree of confinement. Our modeling results suggest that a low-viscosity region of at least six times the effective swimmer size is required to lead to swimming with speeds similar to locomotion in an infinite fluid, corresponding to a region of size above ≈25 μ m for Helicobacter pylori.
Thermal conductivity of the Lennard-Jones chain fluid model.
Galliero, Guillaume; Boned, Christian
2009-12-01
Nonequilibrium molecular dynamics simulations have been performed to estimate, analyze, and correlate the thermal conductivity of a fluid composed of short Lennard-Jones chains (up to 16 segments) over a large range of thermodynamic conditions. It is shown that the dilute gas contribution to the thermal conductivity decreases when the chain length increases for a given temperature. In dense states, simulation results indicate that the residual thermal conductivity of the monomer increases strongly with density, but is weakly dependent on the temperature. Compared to the monomer value, it has been noted that the residual thermal conductivity of the chain was slightly decreasing with its length. Using these results, an empirical relation, including a contribution due to the critical enhancement, is proposed to provide an accurate estimation of the thermal conductivity of the Lennard-Jones chain fluid model (up to 16 segments) over the domain 0.8values of the Lennard-Jones chain fluid model merge on the same "universal" curve when plotted as a function of the excess entropy. Furthermore, it is shown that the reduced configurational thermal conductivity of the Lennard-Jones chain fluid model is approximately proportional to the reduced excess entropy for all fluid states and all chain lengths.
Conceptual models of microseismicity induced by fluid injection
Baro Urbea, J.; Lord-May, C.; Eaton, D. W. S.; Joern, D.
2017-12-01
Variations in the pore pressure due to fluid invasion are accountable for microseismic activity recorded in geothermal systems and during hydraulic fracturing operations. To capture this phenomenon on a conceptual level, invasion percolation models have been suggested to represent the flow network of fluids within a porous media and seismic activity is typically considered to be directly related to the expansion of the percolated area. Although such models reproduce scale-free frequency-magnitude distributions, the associated b-values of the Gutenberg-Richter relation do not align with observed data. Here, we propose an alternative conceptual invasion percolation model that decouples the fluid propagation from the microseismic events. Instead of a uniform pressure, the pressure is modeled to decay along the distance from the injection site. Wet fracture events are simulated with a stochastic spring block model exhibiting stick-slip dynamics as a result of the variations of the pore pressure. We show that the statistics of the stick-slip events are scale-free, but now the b-values depend on the level of heterogeneity in the local static friction coefficients. Thus, this model is able to reproduce the wide spectrum of b-values observed in field catalogs associated with fluid induced microseismicity. Moreover, the spatial distribution of microseismic events is also consistent with observations.
Observation of undulation motion of lipid bilayers by neutron spin echo
International Nuclear Information System (INIS)
Yamada, Norifumi L.; Seto, Hideki; Hishida, Mafumi
2010-01-01
Aqueous solutions of synthesized phospholipids have been well investigated as model biomembranes. These lipids usually self-assemble into regular stacks of bilayers with a characteristic repeat distance on the order of nm, whereas real biomembrane exist as single bilayers. The key phenomenon in understanding the formation of single isolated bilayers in 'unbinding' of lipid bilayers, in which the inter-bilayer distance of lipid bilayers diverges by the steric interaction due to the membrane undulation. In this paper, we show some results of neutron spin-echo (NSE) experiments to investigate the effect of the steric interaction on unbinding and related phenomena. (author)
A fluid model for Helicobacter pylori
Reigh, Shang-Yik; Lauga, Eric
2015-11-01
Swimming microorganisms and self-propelled nanomotors are often found in confined environments. The bacterium Helicobacter pylori survives in the acidic environment of the human stomach and is able to penetrate gel-like mucus layers and cause infections by locally changing the rheological properties of the mucus from gel-like to solution-like. In this talk we propose an analytical model for the locomotion of Helicobacter pylori as a confined spherical squirmer which generates its own confinement. We solve analytically the flow field around the swimmer, and derive the swimming speed and energetics. The role of the boundary condition in the outer wall is discussed. An extension of our model is also proposed for other biological and chemical swimmers. Newton Trust.
Multiscale Modeling of Multiphase Fluid Flow
2016-08-01
was compared to the original equilibrium volume of the neat solvent as a measure of the solubility of carbon dioxide and ammonia in pure water and...temperature and two-temperature models has been used, in which either local thermal equilibrium ( LTE ) between PCM and foams was assumed, or the...solved in the simulations. 6.2.2 Direct Numerical Simulation of PCM in Foam Without the need for extra ad hoc assumptions such as LTE , direct
Experimental Evaluation of Equivalent-Fluid Models for Melamine Foam
Allen, Albert R.; Schiller, Noah H.
2016-01-01
Melamine foam is a soft porous material commonly used in noise control applications. Many models exist to represent porous materials at various levels of fidelity. This work focuses on rigid frame equivalent fluid models, which represent the foam as a fluid with a complex speed of sound and density. There are several empirical models available to determine these frequency dependent parameters based on an estimate of the material flow resistivity. Alternatively, these properties can be experimentally educed using an impedance tube setup. Since vibroacoustic models are generally sensitive to these properties, this paper assesses the accuracy of several empirical models relative to impedance tube measurements collected with melamine foam samples. Diffuse field sound absorption measurements collected using large test articles in a laboratory are also compared with absorption predictions determined using model-based and measured foam properties. Melamine foam slabs of various thicknesses are considered.
Lattice Boltzmann model for three-phase viscoelastic fluid flow
Xie, Chiyu; Lei, Wenhai; Wang, Moran
2018-02-01
A lattice Boltzmann (LB) framework is developed for simulation of three-phase viscoelastic fluid flows in complex geometries. This model is based on a Rothman-Keller type model for immiscible multiphase flows which ensures mass conservation of each component in porous media even for a high density ratio. To account for the viscoelastic effects, the Maxwell constitutive relation is correctly introduced into the momentum equation, which leads to a modified lattice Boltzmann evolution equation for Maxwell fluids by removing the normal but excess viscous term. Our simulation tests indicate that this excess viscous term may induce significant errors. After three benchmark cases, the displacement processes of oil by dispersed polymer are studied as a typical example of three-phase viscoelastic fluid flow. The results show that increasing either the polymer intrinsic viscosity or the elastic modulus will enhance the oil recovery.
Development of models of the magnetorheological fluid damper
Energy Technology Data Exchange (ETDEWEB)
Kazakov, Yu.B., E-mail: elmash@em.ispu.ru; Morozov, N.A.; Nesterov, S.A., E-mail: sergeinesterov37@gmail.com
2017-06-01
The algorithm for analytical calculation of a power characteristic of magnetorheological (MR) dampers taking into account the rheological properties of MR fluid is considered. The nonlinear magnetorheological characteristics are represented by piecewise linear approximation to MR fluid areas with different viscosities. The extended calculated power characteristics of a MR damper are received and they coincide with actual results. The finite element model of a MR damper is developed; it allows carrying out the analysis of a MR damper taking into account the mutual influence of electromagnetic, hydrodynamic and thermal fields. The results of finite element simulation coincide with analytical solutions that allows using them for design development of a MR damper. - Highlights: • Division of a MR fluid rheological curve into two sections with different viscosities. • Algorithm for calculation of a power characteristic of MR dampers is proposed. • Finite element model of a MR damper is developed. • Results of finite element simulation coincide with analytical solutions.
Landau fluid model for weakly nonlinear dispersive magnetohydrodynamics
International Nuclear Information System (INIS)
Passot, T.; Sulem, P. L.
2005-01-01
In may astrophysical plasmas such as the solar wind, the terrestrial magnetosphere, or in the interstellar medium at small enough scales, collisions are negligible. When interested in the large-scale dynamics, a hydrodynamic approach is advantageous not only because its numerical simulations is easier than of the full Vlasov-Maxwell equations, but also because it provides a deep understanding of cross-scale nonlinear couplings. It is thus of great interest to construct fluid models that extended the classical magnetohydrodynamic (MHD) equations to collisionless situations. Two ingredients need to be included in such a model to capture the main kinetic effects: finite Larmor radius (FLR) corrections and Landau damping, the only fluid-particle resonance that can affect large scales and can be modeled in a relatively simple way. The Modelization of Landau damping in a fluid formalism is hardly possible in the framework of a systematic asymptotic expansion and was addressed mainly by means of parameter fitting in a linearized setting. We introduced a similar Landau fluid model but, that has the advantage of taking dispersive effects into account. This model properly describes dispersive MHD waves in quasi-parallel propagation. Since, by construction, the system correctly reproduces their linear dynamics, appropriate tests should address the nonlinear regime. In a first case, we show analytically that the weakly nonlinear modulational dynamics of quasi-parallel propagating Alfven waves is well captured. As a second test we consider the parametric decay instability of parallel Alfven waves and show that numerical simulations of the dispersive Landau fluid model lead to results that closely match the outcome of hybrid simulations. (Author)
Multiscale modeling for fluid transport in nanosystems.
Energy Technology Data Exchange (ETDEWEB)
Lee, Jonathan W.; Jones, Reese E.; Mandadapu, Kranthi Kiran; Templeton, Jeremy Alan; Zimmerman, Jonathan A.
2013-09-01
Atomistic-scale behavior drives performance in many micro- and nano-fluidic systems, such as mircrofludic mixers and electrical energy storage devices. Bringing this information into the traditionally continuum models used for engineering analysis has proved challenging. This work describes one such approach to address this issue by developing atomistic-to-continuum multi scale and multi physics methods to enable molecular dynamics (MD) representations of atoms to incorporated into continuum simulations. Coupling is achieved by imposing constraints based on fluxes of conserved quantities between the two regions described by one of these models. The impact of electric fields and surface charges are also critical, hence, methodologies to extend finite-element (FE) MD electric field solvers have been derived to account for these effects. Finally, the continuum description can have inconsistencies with the coarse-grained MD dynamics, so FE equations based on MD statistics were derived to facilitate the multi scale coupling. Examples are shown relevant to nanofluidic systems, such as pore flow, Couette flow, and electric double layer.
Electric field-induced reorganization of two-component supported bilayer membranes.
Groves, J T; Boxer, S G; McConnell, H M
1997-12-09
Application of electric fields tangent to the plane of a confined patch of fluid bilayer membrane can create lateral concentration gradients of the lipids. A thermodynamic model of this steady-state behavior is developed for binary systems and tested with experiments in supported lipid bilayers. The model uses Flory's approximation for the entropy of mixing and allows for effects arising when the components have different molecular areas. In the special case of equal area molecules the concentration gradient reduces to a Fermi-Dirac distribution. The theory is extended to include effects from charged molecules in the membrane. Calculations show that surface charge on the supporting substrate substantially screens electrostatic interactions within the membrane. It also is shown that concentration profiles can be affected by other intermolecular interactions such as clustering. Qualitative agreement with this prediction is provided by comparing phosphatidylserine- and cardiolipin-containing membranes.
Inhomogeneous generalizations of Bianchi type VIh models with perfect fluid
Roy, S. R.; Prasad, A.
1991-07-01
Inhomogeneous universes admitting an Abelian G2 of isometry and filled with perfect fluid have been derived. These contain as special cases exact homogeneous universes of Bianchi type VIh. Many of these universes asymptotically tend to homogeneous Bianchi VIh universes. The models have been discussed for their physical and kinematical behaviors.
Expressions for linearized perturbations in ideal-fluid cosmological models
International Nuclear Information System (INIS)
Ratra, B.
1988-01-01
We present closed-form solutions of the relativistic linear perturbation equations (in synchronous gauge) that govern the evolution of inhomogeneities in homogeneous, spatially flat, ideal-fluid, cosmological models. These expressions, which are valid for irregularities on any scale, allow one to analytically interpolate between the known approximate solutions which are valid at early times and at late times
Leaback of Pulsatile Flow of Particle Fluid Suspension Model of ...
African Journals Online (AJOL)
Leaback of Pulsatile Flow of Particle Fluid Suspension Model of Blood Under Periodic Body Acceleration. ... The variation in body acceleration amplitude though affects the velocity profile in the capillary tubes, it has no effect on the leakback in the tubes. Leakback is mainly determined by the balance of the viscous drag and ...
Modeling fluid transport in 2d paper networks
Tirapu Azpiroz, Jaione; Fereira Silva, Ademir; Esteves Ferreira, Matheus; Lopez Candela, William Fernando; Bryant, Peter William; Ohta, Ricardo Luis; Engel, Michael; Steiner, Mathias Bernhard
2018-02-01
Paper-based microfluidic devices offer great potential as a low-cost platform to perform chemical and biochemical tests. Commercially available formats such as dipsticks and lateral-flow test devices are widely popular as they are easy to handle and produce fast and unambiguous results. While these simple devices lack precise control over the flow to enable integration of complex functionality for multi-step processes or the ability to multiplex several tests, intense research in this area is rapidly expanding the possibilities. Modeling and simulation is increasingly more instrumental in gaining insight into the underlying physics driving the processes inside the channels, however simulation of flow in paper-based microfluidic devices has barely been explored to aid in the optimum design and prototyping of these devices for precise control of the flow. In this paper, we implement a multiphase fluid flow model through porous media for the simulation of paper imbibition of an incompressible, Newtonian fluid such as when water, urine or serum is employed. The formulation incorporates mass and momentum conservation equations under Stokes flow conditions and results in two coupled Darcy's law equations for the pressures and saturations of the wetting and non-wetting phases, further simplified to the Richard's equation for the saturation of the wetting fluid, which is then solved using a Finite Element solver. The model tracks the wetting fluid front as it displaces the non-wetting fluid by computing the time-dependent saturation of the wetting fluid. We apply this to the study of liquid transport in two-dimensional paper networks and validate against experimental data concerning the wetting dynamics of paper layouts of varying geometries.
The Applicability of Fluid Model to Electrical Breakdown and Glow Discharge Modeling in Argon
International Nuclear Information System (INIS)
Stankov, M. N.; Marković, V. Lj.; Stamenković, S. N.; Jovanović, A. P.; Petković, M. D.
2015-01-01
The simple fluid model, an extended fluid model, and the fluid model with nonlocal ionization are applied for the calculations of static breakdown voltages, Paschen curves and current-voltage characteristics. The best agreement with the experimental data for the Paschen curve modeling is achieved by using the model with variable secondary electron yield. The modeling of current-voltage characteristics is performed for different inter-electrode distances and the results are compared with the experimental data. The fluid model with nonlocal ionization shows an excellent agreement for all inter-electrode distances, while the extended fluid model with variable electron transport coefficients agrees well with measurements at short inter-electrode distances when ionization by fast electrons can be neglected. (physics of gases, plasmas, and electric discharges)
Texture of lipid bilayer domains
DEFF Research Database (Denmark)
Jensen, Uffe Bernchou; Brewer, Jonathan R.; Midtiby, Henrik Skov
2009-01-01
We investigate the texture of gel (g) domains in binary lipid membranes composed of the phospholipids DPPC and DOPC. Lateral organization of lipid bilayer membranes is a topic of fundamental and biological importance. Whereas questions related to size and composition of fluid membrane domain...... are well studied, the possibility of texture in gel domains has so far not been examined. When using polarized light for two-photon excitation of the fluorescent lipid probe Laurdan, the emission intensity is highly sensitive to the angle between the polarization and the tilt orientation of lipid acyl...... chains. By imaging the intensity variations as a function of the polarization angle, we map the lateral variations of the lipid tilt within domains. Results reveal that gel domains are composed of subdomains with different lipid tilt directions. We have applied a Fourier decomposition method...
Fluid analog model for boundary effects in field theory
International Nuclear Information System (INIS)
Ford, L. H.; Svaiter, N. F.
2009-01-01
Quantum fluctuations in the density of a fluid with a linear phonon dispersion relation are studied. In particular, we treat the changes in these fluctuations due to nonclassical states of phonons and to the presence of boundaries. These effects are analogous to similar effects in relativistic quantum field theory, and we argue that the case of the fluid is a useful analog model for effects in field theory. We further argue that the changes in the mean squared density are, in principle, observable by light scattering experiments.
Numerical Cerebrospinal System Modeling in Fluid-Structure Interaction.
Garnotel, Simon; Salmon, Stéphanie; Balédent, Olivier
2018-01-01
Cerebrospinal fluid (CSF) stroke volume in the aqueduct is widely used to evaluate CSF dynamics disorders. In a healthy population, aqueduct stroke volume represents around 10% of the spinal stroke volume while intracranial subarachnoid space stroke volume represents 90%. The amplitude of the CSF oscillations through the different compartments of the cerebrospinal system is a function of the geometry and the compliances of each compartment, but we suspect that it could also be impacted be the cardiac cycle frequency. To study this CSF distribution, we have developed a numerical model of the cerebrospinal system taking into account cerebral ventricles, intracranial subarachnoid spaces, spinal canal and brain tissue in fluid-structure interactions. A numerical fluid-structure interaction model is implemented using a finite-element method library to model the cerebrospinal system and its interaction with the brain based on fluid mechanics equations and linear elasticity equations coupled in a monolithic formulation. The model geometry, simplified in a first approach, is designed in accordance with realistic volume ratios of the different compartments: a thin tube is used to mimic the high flow resistance of the aqueduct. CSF velocity and pressure and brain displacements are obtained as simulation results, and CSF flow and stroke volume are calculated from these results. Simulation results show a significant variability of aqueduct stroke volume and intracranial subarachnoid space stroke volume in the physiological range of cardiac frequencies. Fluid-structure interactions are numerous in the cerebrospinal system and difficult to understand in the rigid skull. The presented model highlights significant variations of stroke volumes under cardiac frequency variations only.
Assessment of fluid-to-fluid modelling of critical heat flux in horizontal 37-element bundle flows
International Nuclear Information System (INIS)
Yang, S.K.
2006-01-01
Fluid-to-fluid modelling laws of critical heat flux (CHF) available in the literature were reviewed. The applicability of the fluid-to-fluid modelling laws was assessed using available data ranging from low to high mass fluxes in horizontal 37-element bundles simulating a CANDU fuel string. Correlations consisting of dimensionless similarity groups were derived using modelling fluid data (Freon-12) to predict water CHF data in horizontal 37-element bundles with uniform and non-uniform axial-heat flux distribution (AFD). The results showed that at mass fluxes higher than ∼4,000 kg/m 2 s (water equivalent value), the vertical fluid-to-fluid modelling laws of Ahmad (1973) and Katto (1979) predict water CHF in horizontal 37-element bundles with non-uniform AFD with average errors of 1.4% and 3.0% and RMS errors of 5.9% and 6.1%, respectively. The Francois and Berthoud (2003) fluid-to-fluid modelling law predicts CHF in non-uniformly heated 37-element bundles in the horizontal orientation with an average error of 0.6% and an RMS error of 10.4% over the available range of 2,000 to 6,200 kg/m 2 s. (author)
Model for the radionuclide measurement of ascitic fluid volumes
International Nuclear Information System (INIS)
Kaplan, W.D.; Davis, M.A.; Uren, R.F.; Wisotsky, T.; LaTegola, M.
1978-01-01
Technetium-99m phytate colloids formed in vitro and in vivo were examined as radioindicators for estimation of the volume of third-space fluid in an ovarian ascites model using C3HeB/FeJ mice. In double-label experiments, the accuracy of the colloids for dilution analysis was found to be equal or superior to that of I-125 HSA. Sampling times 3 to 5 min after intraperitoneal administration were found to produce the best volume estimates. Four needle-stopcock assemblies inserted sequentially into the quadrants of the peritoneal cavity were used for administration and sampling of the radioindicators. The stopcocks could be closed to prevent leakage of ascitic fluid during the procedure. In contrast to radiolabeled albumin, Tc-99m phytate colloids have clinical use for simultaneous imaging of radiotracer migration to assess potential occlusion of diaphragmatic lymphatics by neoplastic cells, and for dilution analysis to estimate volume of ascitic fluid
Fluid coupling in a discrete model of cochlear mechanics.
Elliott, Stephen J; Lineton, Ben; Ni, Guangjian
2011-09-01
A discrete model of cochlear mechanics is introduced that includes a full, three-dimensional, description of fluid coupling. This formulation allows the fluid coupling and basilar membrane dynamics to be analyzed separately and then coupled together with a simple piece of linear algebra. The fluid coupling is initially analyzed using a wavenumber formulation and is separated into one component due to one-dimensional fluid coupling and one comprising all the other contributions. Using the theory of acoustic waves in a duct, however, these two components of the pressure can also be associated with a far field, due to the plane wave, and a near field, due to the evanescent, higher order, modes. The near field components are then seen as one of a number of sources of additional longitudinal coupling in the cochlea. The effects of non-uniformity and asymmetry in the fluid chamber areas can also be taken into account, to predict both the pressure difference between the chambers and the mean pressure. This allows the calculation, for example, of the effect of a short cochlear implant on the coupled response of the cochlea. © 2011 Acoustical Society of America
Eight equation model for arbitrary shaped pipe conveying fluid
International Nuclear Information System (INIS)
Gale, J.; Tiselj, I.
2006-01-01
Linear eight-equation system for two-way coupling of single-phase fluid transient and arbitrary shaped one-dimensional pipeline movement is described and discussed. The governing phenomenon described with this system is also known as Fluid-Structure Interaction. Standard Skalak's four-equation model for axial coupling was improved with additional four Timoshenko's beam equations for description of flexural displacements and rotations. In addition to the conventional eight-equation system that enables coupling of straight sections, the applied mathematical model was improved for description of the arbitrary shaped pipeline located in two-dimensional plane. The applied model was solved with second-order accurate numerical method that is based on Godounov's characteristic upwind schemes. The model was successfully used for simulation of the rod impact induced transient and conventional instantaneous valve closure induced transient in the tank-pipe-valve system. (author)
Yang, Xiaochen; Zhang, Qinghe; Hao, Linnan
2015-03-01
A water-fluid mud coupling model is developed based on the unstructured grid finite volume coastal ocean model (FVCOM) to investigate the fluid mud motion. The hydrodynamics and sediment transport of the overlying water column are solved using the original three-dimensional ocean model. A horizontal two-dimensional fluid mud model is integrated into the FVCOM model to simulate the underlying fluid mud flow. The fluid mud interacts with the water column through the sediment flux, current, and shear stress. The friction factor between the fluid mud and the bed, which is traditionally determined empirically, is derived with the assumption that the vertical distribution of shear stress below the yield surface of fluid mud is identical to that of uniform laminar flow of Newtonian fluid in the open channel. The model is validated by experimental data and reasonable agreement is found. Compared with numerical cases with fixed friction factors, the results simulated with the derived friction factor exhibit the best agreement with the experiment, which demonstrates the necessity of the derivation of the friction factor.
Cardioplegia heat exchanger design modelling using computational fluid dynamics.
van Driel, M R
2000-11-01
A new cardioplegia heat exchanger has been developed by Sorin Biomedica. A three-dimensional computer-aided design (CAD) model was optimized using computational fluid dynamics (CFD) modelling. CFD optimization techniques have commonly been applied to velocity flow field analysis, but CFD analysis was also used in this study to predict the heat exchange performance of the design before prototype fabrication. The iterative results of the optimization and the actual heat exchange performance of the final configuration are presented in this paper. Based on the behaviour of this model, both the water and blood fluid flow paths of the heat exchanger were optimized. The simulation predicted superior heat exchange performance using an optimal amount of energy exchange surface area, reducing the total contact surface area, the device priming volume and the material costs. Experimental results confirm the empirical results predicted by the CFD analysis.
Cosmological effects of a class of fluid dark energy models
International Nuclear Information System (INIS)
Carturan, Daniela; Finelli, Fabio
2003-01-01
We study the impact of a generalized Chaplygin gas as a candidate for dark energy on density perturbations and on cosmic microwave background (CMB) anisotropies. The generalized Chaplygin gas is a fluid component with an exotic equation of state p=-A/ρ α (a polytropic gas with negative constant and exponent). Such a component interpolates in time between dust and a cosmological constant, with an intermediate behavior as p=A 1/(1+α) +αρ. Perturbations of this fluid are stable on small scales but behave in a very different way with respect to standard quintessence. Moreover, a generalized Chaplygin gas could also represent an archetypal example of the phenomenological unified models of dark energy and dark matter. The results presented here show how CMB anisotropies and density perturbations in this class of models differ from those of a cold dark matter model with a cosmological constant
Fluid mechanics and heat transfer advances in nonlinear dynamics modeling
Asli, Kaveh Hariri
2015-01-01
This valuable new book focuses on new methods and techniques in fluid mechanics and heat transfer in mechanical engineering. The book includes the research of the authors on the development of optimal mathematical models and also uses modern computer technology and mathematical methods for the analysis of nonlinear dynamic processes. It covers technologies applicable to both fluid mechanics and heat transfer problems, which include a combination of physical, mechanical, and thermal techniques. The authors develop a new method for the calculation of mathematical models by computer technology, using parametric modeling techniques and multiple analyses for mechanical system. The information in this book is intended to help reduce the risk of system damage or failure. Included are sidebar discussions, which contain information and facts about each subject area that help to emphasize important points to remember.
Mathematical Modelling of Fluid Flow in Cone and Cavitation Formation
Directory of Open Access Journals (Sweden)
Milada KOZUBKOVÁ
2011-06-01
Full Text Available Problem of cavitation is the undesirable phenomena occuring in the fluid flow in many hydraulic application (pumps, turbines, valves, etc.. Therefore this is in the focus of interest using experimental and mathematical methods. Based on cavitation modelling in Laval nozzle results and experience [1], [2], [4], following problem described as the water flow at the outlet from turbine blade wheel was solved. Primarily the problem is simplified into modelling of water flow in cone. Profiles of axial, radial and tangential velocity are defined on inlet zone. The value of pressure is defined on the outlet. Boundary conditions were defined by main investigator of the grant project – Energy Institute, Victor Kaplan’s Department of Fluid Engineering, Faculty of Mechanical Engineering, Brno University of Technology. The value of air volume was insignificant. Cavitation was solved by Singhal model of cavitation.
A computer model for dispersed fluid-solid turbulent flows
International Nuclear Information System (INIS)
Liu, C.H.; Tulig, T.J.
1985-01-01
A computer model is being developed to simulate two-phase turbulent flow phenomena in fluids containing finely dispersed solids. The model is based on a dual-continuum picture of the individual phases and an extension of a two-equation turbulence closure theory. The resulting set of nonlinear partial differential equations are solved using a finite difference procedure with special treatment to promote convergence. The model has been checked against a number of idealized flow problems with known solutions. The authors are currently comparing model predictions with measurements to determine a proper set of turbulence parameters needed for simulating two-phase turbulent flows
A Landau fluid model for dissipative trapped electron modes
International Nuclear Information System (INIS)
Hedrick, C.L.; Leboeuf, J.N.; Sidikman, K.L.
1995-09-01
A Landau fluid model for dissipative trapped electron modes is developed which focuses on an improved description of the ion dynamics. The model is simple enough to allow nonlinear calculations with many harmonics for the times necessary to reach saturation. The model is motivated by a discussion that starts with the gyro-kinetic equation and emphasizes the importance of simultaneously including particular features of magnetic drift resonance, shear, and Landau effects. To ensure that these features are simultaneously incorporated in a Landau fluid model with only two evolution equations, a new approach to determining the closure coefficients is employed. The effect of this technique is to reduce the matching of fluid and kinetic responses to a single variable, rather than two, and to allow focusing on essential features of the fluctuations in question, rather than features that are only important for other types of fluctuations. Radially resolved nonlinear calculations of this model, advanced in time to reach saturation, are presented to partially illustrate its intended use. These calculations have a large number of poloidal and toroidal harmonics to represent the nonlinear dynamics in a converged steady state which includes cascading of energy to both short and long wavelengths
Review and comparison of bi-fluid interpenetration mixing models
International Nuclear Information System (INIS)
Enaux, C.
2006-01-01
Today, there is a lot of bi-fluid models with two different speeds: Baer-Nunziato models; Godunov-Romensky models. coupled Euler's equations, and so on. In this report, one compares the most used models in the fields of physics and mathematics while basing this study on the literature. From the point of view of physics. for each model. one reviews: -) the type of mixture considered and modeling assumptions, -) the technique of construction, -) some properties like the respect of thermodynamical principles, the respect of the Galilean invariance principle, or the equilibrium conservation. From the point of view of mathematics, for each model, one looks at: -) the possibility of writing the equations in conservative form, -) hyperbolicity, -) the existence of a mathematical entropy. Finally, a unified review of the models is proposed. It is shown that under certain closing assumptions or for certain flow types. some of the models become equivalent. (author)
Kelly, Christopher V; Leroueil, Pascale R; Orr, Bradford G; Banaszak Holl, Mark M; Andricioaei, Ioan
2008-08-07
The molecular structures and enthalpy release of poly(amidoamine) (PAMAM) dendrimers binding to 1,2-dimyristoyl- sn-glycero-3-phosphocholine (DMPC) bilayers were explored through atomistic molecular dynamics. Three PAMAM dendrimer terminations were examined: protonated primary amine, neutral acetamide, and deprotonated carboxylic acid. Fluid and gel lipid phases were examined to extract the effects of lipid tail mobility on the binding of generation-3 dendrimers, which are directly relevant to the nanoparticle interactions involving lipid rafts, endocytosis, lipid removal, and/or membrane pores. Upon binding to gel phase lipids, dendrimers remained spherical, had a constant radius of gyration, and approximately one-quarter of the terminal groups were in close proximity to the lipids. In contrast, upon binding to fluid phase bilayers, dendrimers flattened out with a large increase in their asphericity and radii of gyration. Although over twice as many dendrimer-lipid contacts were formed on fluid versus gel phase lipids, the dendrimer-lipid interaction energy was only 20% stronger. The greatest enthalpy release upon binding was between the charged dendrimers and the lipid bilayer. However, the stronger binding to fluid versus gel phase lipids was driven by the hydrophobic interactions between the inner dendrimer and lipid tails.
Bilayer graphene: gap tunability and edge properties
International Nuclear Information System (INIS)
Castro, Eduardo V; Santos, J M B Lopes dos; Peres, N M R; Guinea, F; Castro Neto, A H
2008-01-01
Bilayer graphene - two coupled single graphene layers stacked as in graphite - provides the only known semiconductor with a gap that can be tuned externally through electric field effect. Here we use a tight binding approach to study how the gap changes with the applied electric field. Within a parallel plate capacitor model and taking into account screening of the external field, we describe real back gated and/or chemically doped bilayer devices. We show that a gap between zero and midinfrared energies can be induced and externally tuned in these devices, making bilayer graphene very appealing from the point of view of applications. However, applications to nanotechnology require careful treatment of the effect of sample boundaries. This being particularly true in graphene, where the presence of edge states at zero energy - the Fermi level of the undoped system - has been extensively reported. Here we show that also bilayer graphene supports surface states localized at zigzag edges. The presence of two layers, however, allows for a new type of edge state which shows an enhanced penetration into the bulk and gives rise to band crossing phenomenon inside the gap of the biased bilayer system.
Modelling Transcapillary Transport of Fluid and Proteins in Hemodialysis Patients.
Directory of Open Access Journals (Sweden)
Mauro Pietribiasi
Full Text Available The kinetics of protein transport to and from the vascular compartment play a major role in the determination of fluid balance and plasma refilling during hemodialysis (HD sessions. In this study we propose a whole-body mathematical model describing water and protein shifts across the capillary membrane during HD and compare its output to clinical data while evaluating the impact of choosing specific values for selected parameters.The model follows a two-compartment structure (vascular and interstitial space and is based on balance equations of protein mass and water volume in each compartment. The capillary membrane was described according to the three-pore theory. Two transport parameters, the fractional contribution of large pores (αLP and the total hydraulic conductivity (LpS of the capillary membrane, were estimated from patient data. Changes in the intensity and direction of individual fluid and solute flows through each part of the transport system were analyzed in relation to the choice of different values of small pores radius and fractional conductivity, lymphatic sensitivity to hydraulic pressure, and steady-state interstitial-to-plasma protein concentration ratio.The estimated values of LpS and αLP were respectively 10.0 ± 8.4 mL/min/mmHg (mean ± standard deviation and 0.062 ± 0.041. The model was able to predict with good accuracy the profiles of plasma volume and serum total protein concentration in most of the patients (average root-mean-square deviation < 2% of the measured value.The applied model provides a mechanistic interpretation of fluid transport processes induced by ultrafiltration during HD, using a minimum of tuned parameters and assumptions. The simulated values of individual flows through each kind of pore and lymphatic absorption rate yielded by the model may suggest answers to unsolved questions on the relative impact of these not-measurable quantities on total vascular refilling and fluid balance.
Bordner, Andrew J.; Zorman, Barry; Abagyan, Ruben
2011-10-01
Membrane proteins comprise a significant fraction of the proteomes of sequenced organisms and are the targets of approximately half of marketed drugs. However, in spite of their prevalence and biomedical importance, relatively few experimental structures are available due to technical challenges. Computational simulations can potentially address this deficit by providing structural models of membrane proteins. Solvation within the spatially heterogeneous membrane/solvent environment provides a major component of the energetics driving protein folding and association within the membrane. We have developed an implicit solvation model for membranes that is both computationally efficient and accurate enough to enable molecular mechanics predictions for the folding and association of peptides within the membrane. We derived the new atomic solvation model parameters using an unbiased fitting procedure to experimental data and have applied it to diverse problems in order to test its accuracy and to gain insight into membrane protein folding. First, we predicted the positions and orientations of peptides and complexes within the lipid bilayer and compared the simulation results with solid-state NMR structures. Additionally, we performed folding simulations for a series of host-guest peptides with varying propensities to form alpha helices in a hydrophobic environment and compared the structures with experimental measurements. We were also able to successfully predict the structures of amphipathic peptides as well as the structures for dimeric complexes of short hexapeptides that have experimentally characterized propensities to form beta sheets within the membrane. Finally, we compared calculated relative transfer energies with data from experiments measuring the effects of mutations on the free energies of translocon-mediated insertion of proteins into lipid bilayers and of combined folding and membrane insertion of a beta barrel protein.
Directory of Open Access Journals (Sweden)
Mahesh Chandra Patra
2018-03-01
Full Text Available Toll-like receptors (TLRs are a unique category of pattern recognition receptors that recognize distinct pathogenic components, often utilizing the same set of downstream adaptors. Specific molecular features of extracellular, transmembrane (TM, and cytoplasmic domains of TLRs are crucial for coordinating the complex, innate immune signaling pathway. Here, we constructed a full-length structural model of TLR4—a widely studied member of the interleukin-1 receptor/TLR superfamily—using homology modeling, protein–protein docking, and molecular dynamics simulations to understand the differential domain organization of TLR4 in a membrane-aqueous environment. Results showed that each functional domain of the membrane-bound TLR4 displayed several structural transitions that are biophysically essential for plasma membrane integration. Specifically, the extracellular and cytoplasmic domains were partially immersed in the upper and lower leaflets of the membrane bilayer. Meanwhile, TM domains tilted considerably to overcome the hydrophobic mismatch with the bilayer core. Our analysis indicates an alternate dimerization or a potential oligomerization interface of TLR4-TM. Moreover, the helical properties of an isolated TM dimer partly agree with that of the full-length receptor. Furthermore, membrane-absorbed or solvent-exposed surfaces of the toll/interleukin-1 receptor domain are consistent with previous X-ray crystallography and biochemical studies. Collectively, we provided a complete structural model of membrane-bound TLR4 that strengthens our current understanding of the complex mechanism of receptor activation and adaptor recruitment in the innate immune signaling pathway.
Thermotropic and Barotropic Phase Behavior of Phosphatidylcholine Bilayers
Directory of Open Access Journals (Sweden)
Nobutake Tamai
2013-01-01
Full Text Available Bilayers formed by phospholipids are frequently used as model biological membranes in various life science studies. A characteristic feature of phospholipid bilayers is to undergo a structural change called a phase transition in response to environmental changes of their surroundings. In this review, we focus our attention on phase transitions of some major phospholipids contained in biological membranes, phosphatidylcholines (PCs, depending on temperature and pressure. Bilayers of dipalmitoylphosphatidylcholine (DPPC, which is the most representative lipid in model membrane studies, will first be explained. Then, the bilayer phase behavior of various kinds of PCs with different molecular structures is revealed from the temperature–pressure phase diagrams, and the difference in phase stability among these PC bilayers is discussed in connection with the molecular structure of the PC molecules. Furthermore, the solvent effect on the phase behavior is also described briefly.
Propositions for a PDF model based on fluid particle acceleration
International Nuclear Information System (INIS)
Minier, J.P.; Pozorski, J.
1997-05-01
This paper describes theoretical propositions to model the acceleration of a fluid particle in a turbulent flow. Such a model is useful for the PDF approach to turbulent reactive flows as well as for the Lagrangian modelling of two-phase flows. The model developed here draws from ideas already put forward by Sawford but which are generalized to the case of non-homogeneous flows. The model is built so as to revert continuously to Pope's model, which uses a Langevin equation for particle velocities, when the Reynolds number becomes very high. The derivation is based on the technique of fast variable elimination. This technique allow a careful analysis of the relations between different levels of modelling. It also allows to address certain problems in a more rigorous way. In particular, application of this technique shows that models presently used can in principle simulate bubbly flows including the pressure-gradient and added-mass forces. (author)
Aland, Sebastian; Lowengrub, John; Voigt, Axel
2012-10-01
Colloid particles that are partially wetted by two immiscible fluids can become confined to fluid-fluid interfaces. At sufficiently high volume fractions, the colloids may jam and the interface may crystallize. The fluids together with the interfacial colloids form an emulsion with interesting material properties and offer an important route to new soft materials. A promising approach to simulate these emulsions was presented in Aland et al. [Phys. Fluids 23, 062103 (2011)], where a Navier-Stokes-Cahn-Hilliard model for the macroscopic two-phase fluid system was combined with a surface phase-field-crystal model for the microscopic colloidal particles along the interface. Unfortunately this model leads to spurious velocities which require very fine spatial and temporal resolutions to accurately and stably simulate. In this paper we develop an improved Navier-Stokes-Cahn-Hilliard-surface phase-field-crystal model based on the principles of mass conservation and thermodynamic consistency. To validate our approach, we derive a sharp interface model and show agreement with the improved diffuse interface model. Using simple flow configurations, we show that the new model has much better properties and does not lead to spurious velocities. Finally, we demonstrate the solid-like behavior of the crystallized interface by simulating the fall of a solid ball through a colloid-laden multiphase fluid.
Approaches to Validation of Models for Low Gravity Fluid Behavior
Chato, David J.; Marchetta, Jeffery; Hochstein, John I.; Kassemi, Mohammad
2005-01-01
This paper details the author experiences with the validation of computer models to predict low gravity fluid behavior. It reviews the literature of low gravity fluid behavior as a starting point for developing a baseline set of test cases. It examines authors attempts to validate their models against these cases and the issues they encountered. The main issues seem to be that: Most of the data is described by empirical correlation rather than fundamental relation; Detailed measurements of the flow field have not been made; Free surface shapes are observed but through thick plastic cylinders, and therefore subject to a great deal of optical distortion; and Heat transfer process time constants are on the order of minutes to days but the zero-gravity time available has been only seconds.
Modelling of reactive fluid transport in deformable porous rocks
Yarushina, V. M.; Podladchikov, Y. Y.
2009-04-01
One outstanding challenge in geology today is the formulation of an understanding of the interaction between rocks and fluids. Advances in such knowledge are important for a broad range of geologic settings including partial melting and subsequent migration and emplacement of a melt into upper levels of the crust, or fluid flow during regional metamorphism and metasomatism. Rock-fluid interaction involves heat and mass transfer, deformation, hydrodynamic flow, and chemical reactions, thereby necessitating its consideration as a complex process coupling several simultaneous mechanisms. Deformation, chemical reactions, and fluid flow are coupled processes. Each affects the others. Special effort is required for accurate modelling of the porosity field through time. Mechanical compaction of porous rocks is usually treated under isothermal or isoentropic simplifying assumptions. However, joint consideration of both mechanical compaction and reactive porosity alteration requires somewhat greater than usual care about thermodynamic consistency. Here we consider the modelling of multi-component, multi-phase systems, which is fundamental to the study of fluid-rock interaction. Based on the conservation laws for mass, momentum, and energy in the form adopted in the theory of mixtures, we derive a thermodynamically admissible closed system of equations describing the coupling of heat and mass transfer, chemical reactions, and fluid flow in a deformable solid matrix. Geological environments where reactive transport is important are located at different depths and accordingly have different rheologies. In the near surface, elastic or elastoplastic properties would dominate, whereas viscoplasticity would have a profound effect deeper in the lithosphere. Poorly understood rheologies of heterogeneous porous rocks are derived from well understood processes (i.e., elasticity, viscosity, plastic flow, fracturing, and their combinations) on the microscale by considering a
Analog model for quantum gravity effects: phonons in random fluids.
Krein, G; Menezes, G; Svaiter, N F
2010-09-24
We describe an analog model for quantum gravity effects in condensed matter physics. The situation discussed is that of phonons propagating in a fluid with a random velocity wave equation. We consider that there are random fluctuations in the reciprocal of the bulk modulus of the system and study free phonons in the presence of Gaussian colored noise with zero mean. We show that, in this model, after performing the random averages over the noise function a free conventional scalar quantum field theory describing free phonons becomes a self-interacting model.
Computational fluid dynamics modelling of displacement natural ventilation.
Ji, Yingchun
2005-01-01
Natural ventilation is widely recognised as contributing towards low-energy building design. The requirement to reduce energy usage in new buildings has rejuvenated interest in natural ventilation. This thesis deals with computer modelling of natural displacement ventilation driven either by buoyancy or buoyancy combined with wind forces. Two benchmarks have been developed using computational fluid dynamics (CFD) in order to evaluate the accuracy with which CFD is able to mo...
Internal Stress in a Model Elasto-Plastic Fluid
Ooshida, Takeshi; Sekimoto, Ken
2004-01-01
Plastic materials can carry memory of past mechanical treatment in the form of internal stress. We introduce a natural definition of the vorticity of internal stress in a simple two-dimensional model of elasto-plastic fluids, which generates the internal stress. We demonstrate how the internal stress is induced under external loading, and how the presence of the internal stress modifies the plastic behavior.
Cellular-automata supercomputers for fluid-dynamics modeling
International Nuclear Information System (INIS)
Margolus, N.; Toffoli, T.; Vichniac, G.
1986-01-01
We report recent developments in the modeling of fluid dynamics, and give experimental results (including dynamical exponents) obtained using cellular automata machines. Because of their locality and uniformity, cellular automata lend themselves to an extremely efficient physical realization; with a suitable architecture, an amount of hardware resources comparable to that of a home computer can achieve (in the simulation of cellular automata) the performance of a conventional supercomputer
Modeling the cometary environment using a fluid approach
Shou, Yinsi
Comets are believed to have preserved the building material of the early solar system and to hold clues to the origin of life on Earth. Abundant remote observations of comets by telescopes and the in-situ measurements by a handful of space missions reveal that the cometary environments are complicated by various physical and chemical processes among the neutral gases and dust grains released from comets, cometary ions, and the solar wind in the interplanetary space. Therefore, physics-based numerical models are in demand to interpret the observational data and to deepen our understanding of the cometary environment. In this thesis, three models using a fluid approach, which include important physical and chemical processes underlying the cometary environment, have been developed to study the plasma, neutral gas, and the dust grains, respectively. Although models based on the fluid approach have limitations in capturing all of the correct physics for certain applications, especially for very low gas density environment, they are computationally much more efficient than alternatives. In the simulations of comet 67P/Churyumov-Gerasimenko at various heliocentric distances with a wide range of production rates, our multi-fluid cometary neutral gas model and multi-fluid cometary dust model have achieved comparable results to the Direct Simulation Monte Carlo (DSMC) model, which is based on a kinetic approach that is valid in all collisional regimes. Therefore, our model is a powerful alternative to the particle-based model, especially for some computationally intensive simulations. Capable of accounting for the varying heating efficiency under various physical conditions in a self-consistent way, the multi-fluid cometary neutral gas model is a good tool to study the dynamics of the cometary coma with different production rates and heliocentric distances. The modeled H2O expansion speeds reproduce the general trend and the speed's nonlinear dependencies of production rate
Perfect fluid models in noncomoving observational spherical coordinates
International Nuclear Information System (INIS)
Ishak, Mustapha
2004-01-01
We use null spherical (observational) coordinates to describe a class of inhomogeneous cosmological models. The proposed cosmological construction is based on the observer past null cone. A known difficulty in using inhomogeneous models is that the null geodesic equation is not integrable in general. Our choice of null coordinates solves the radial ingoing null geodesic by construction. Furthermore, we use an approach where the velocity field is uniquely calculated from the metric rather than put in by hand. Conveniently, this allows us to explore models in a noncomoving frame of reference. In this frame, we find that the velocity field has shear, acceleration, and expansion rate in general. We show that a comoving frame is not compatible with expanding perfect fluid models in the coordinates proposed and dust models are simply not possible. We describe the models in a noncomoving frame. We use the dust models in a noncomoving frame to outline a fitting procedure
Model identification methodology for fluid-based inerters
Liu, Xiaofu; Jiang, Jason Zheng; Titurus, Branislav; Harrison, Andrew
2018-06-01
Inerter is the mechanical dual of the capacitor via the force-current analogy. It has the property that the force across the terminals is proportional to their relative acceleration. Compared with flywheel-based inerters, fluid-based forms have advantages of improved durability, inherent damping and simplicity of design. In order to improve the understanding of the physical behaviour of this fluid-based device, especially caused by the hydraulic resistance and inertial effects in the external tube, this work proposes a comprehensive model identification methodology. Firstly, a modelling procedure is established, which allows the topological arrangement of the mechanical networks to be obtained by mapping the damping, inertance and stiffness effects directly to their respective hydraulic counterparts. Secondly, an experimental sequence is followed, which separates the identification of friction, stiffness and various damping effects. Furthermore, an experimental set-up is introduced, where two pressure gauges are used to accurately measure the pressure drop across the external tube. The theoretical models with improved confidence are obtained using the proposed methodology for a helical-tube fluid inerter prototype. The sources of remaining discrepancies are further analysed.
Modelling Laccoliths: Fluid-Driven Fracturing in the Lab
Ball, T. V.; Neufeld, J. A.
2017-12-01
Current modelling of the formation of laccoliths neglects the necessity to fracture rock layers for propagation to occur [1]. In magmatic intrusions at depth the idea of fracture toughness is used to characterise fracturing, however an analogue for near surface intrusions has yet to be explored [2]. We propose an analytical model for laccolith emplacement that accounts for the energy required to fracture at the tip of an intrusion. For realistic physical parameters we find that a lag region exists between the fluid magma front and the crack tip where large negative pressures in the tip cause volatiles to exsolve from the magma. Crucially, the dynamics of this tip region controls the spreading due to the competition between viscous forces and fracture energy. We conduct a series of complementary experiments to investigate fluid-driven fracturing of adhered layers and confirm the existence of two regimes: viscosity dominant spreading, controlled by the pressure in the lag region, and fracture energy dominant spreading, controlled by the energy required to fracture layers. Our experiments provide the first observations, and evolution, of a vapour tip. These experiments and our simplified model provide insight into the key physical processes in near surface magmatic intrusions with applications to fluid-driven fracturing more generally. Michaut J. Geophys. Res. 116(B5), B05205. Bunger & Cruden J. Geophys. Res. 116(B2), B02203.
Fluid model of the magnetic presheath in a turbulent plasma
International Nuclear Information System (INIS)
Stanojevic, M; Duhovnik, J; Jelic, N; Kendl, A; Kuhn, S
2005-01-01
A fluid model of the magnetic presheath in a turbulent boundary plasma is presented. Turbulent transport corrections of the classical three-dimensional fluid transport equations, which can be used to study magnetic presheaths in various geometries, are derived by means of the ensemble averaging procedure from the statistical theory of plasma turbulence. Then, the magnetic presheath in front of an infinite plane surface is analysed in detail. The linearized planar magnetic presheath equations are applied to the plasma-presheath-magnetic-presheath boundary (i.e. the magnetic presheath edge), whereas the original non-linear planar magnetic presheath equations are used for the entire magnetic presheath, allowing for various sets of experimentally relevant free model parameters to be applied. Important new results of this study are, among others, new expressions for the fluid Bohm criterion at the Debye sheath edge and for the ion flux density perpendicular to the wall. These new results, which exhibit corrections due to the turbulent charged particle transport, can qualitatively explain the fact that whenever the angle between the magnetic field and the wall is very small (i.e. several degrees) or zero, electric currents, measured by Langmuir probes in the boundary regions of nuclear fusion devices and in various low-temperature plasmas, are anomalously enhanced in comparison with those expected or predicted by other theoretical models
Modeling interfacial area transport in multi-fluid systems
Energy Technology Data Exchange (ETDEWEB)
Yarbro, Stephen Lee [Univ. of California, Berkeley, CA (United States)
1996-11-01
Many typical chemical engineering operations are multi-fluid systems. They are carried out in distillation columns (vapor/liquid), liquid-liquid contactors (liquid/liquid) and other similar devices. An important parameter is interfacial area concentration, which determines the rate of interfluid heat, mass and momentum transfer and ultimately, the overall performance of the equipment. In many cases, the models for determining interfacial area concentration are empirical and can only describe the cases for which there is experimental data. In an effort to understand multiphase reactors and the mixing process better, a multi-fluid model has been developed as part of a research effort to calculate interfacial area transport in several different types of in-line static mixers. For this work, the ensemble-averaged property conservation equations have been derived for each fluid and for the mixture. These equations were then combined to derive a transport equation for the interfacial area concentration. The final, one-dimensional model was compared to interfacial area concentration data from two sizes of Kenics in-line mixer, two sizes of concurrent jet and a Tee mixer. In all cases, the calculated and experimental data compared well with the highest scatter being with the Tee mixer comparison.
Spherically symmetric Einstein-aether perfect fluid models
Energy Technology Data Exchange (ETDEWEB)
Coley, Alan A.; Latta, Joey [Department of Mathematics and Statistics, Dalhousie University, Halifax, Nova Scotia, B3H 3J5 (Canada); Leon, Genly [Instituto de Física, Pontificia Universidad Católica de Valparaíso, Casilla 4950, Valparaíso (Chile); Sandin, Patrik, E-mail: aac@mathstat.dal.ca, E-mail: genly.leon@ucv.cl, E-mail: patrik.sandin@aei.mpg.de, E-mail: lattaj@mathstat.dal.ca [Max-Planck-Institut für Gravitationsphysik (Albert-Einstein-Institut), Am Mühlenberg 1, D-14476 Potsdam (Germany)
2015-12-01
We investigate spherically symmetric cosmological models in Einstein-aether theory with a tilted (non-comoving) perfect fluid source. We use a 1+3 frame formalism and adopt the comoving aether gauge to derive the evolution equations, which form a well-posed system of first order partial differential equations in two variables. We then introduce normalized variables. The formalism is particularly well-suited for numerical computations and the study of the qualitative properties of the models, which are also solutions of Horava gravity. We study the local stability of the equilibrium points of the resulting dynamical system corresponding to physically realistic inhomogeneous cosmological models and astrophysical objects with values for the parameters which are consistent with current constraints. In particular, we consider dust models in (β−) normalized variables and derive a reduced (closed) evolution system and we obtain the general evolution equations for the spatially homogeneous Kantowski-Sachs models using appropriate bounded normalized variables. We then analyse these models, with special emphasis on the future asymptotic behaviour for different values of the parameters. Finally, we investigate static models for a mixture of a (necessarily non-tilted) perfect fluid with a barotropic equations of state and a scalar field.
Computational fluid dynamic modeling of fluidized-bed polymerization reactors
Energy Technology Data Exchange (ETDEWEB)
Rokkam, Ram [Iowa State Univ., Ames, IA (United States)
2012-01-01
Polyethylene is one of the most widely used plastics, and over 60 million tons are produced worldwide every year. Polyethylene is obtained by the catalytic polymerization of ethylene in gas and liquid phase reactors. The gas phase processes are more advantageous, and use fluidized-bed reactors for production of polyethylene. Since they operate so close to the melting point of the polymer, agglomeration is an operational concern in all slurry and gas polymerization processes. Electrostatics and hot spot formation are the main factors that contribute to agglomeration in gas-phase processes. Electrostatic charges in gas phase polymerization fluidized bed reactors are known to influence the bed hydrodynamics, particle elutriation, bubble size, bubble shape etc. Accumulation of electrostatic charges in the fluidized-bed can lead to operational issues. In this work a first-principles electrostatic model is developed and coupled with a multi-fluid computational fluid dynamic (CFD) model to understand the effect of electrostatics on the dynamics of a fluidized-bed. The multi-fluid CFD model for gas-particle flow is based on the kinetic theory of granular flows closures. The electrostatic model is developed based on a fixed, size-dependent charge for each type of particle (catalyst, polymer, polymer fines) phase. The combined CFD model is first verified using simple test cases, validated with experiments and applied to a pilot-scale polymerization fluidized-bed reactor. The CFD model reproduced qualitative trends in particle segregation and entrainment due to electrostatic charges observed in experiments. For the scale up of fluidized bed reactor, filtered models are developed and implemented on pilot scale reactor.
Two-Fluid Mathematical Models for Blood Flow in Stenosed Arteries: A Comparative Study
Directory of Open Access Journals (Sweden)
Sankar DS
2009-01-01
Full Text Available The pulsatile flow of blood through stenosed arteries is analyzed by assuming the blood as a two-fluid model with the suspension of all the erythrocytes in the core region as a non-Newtonian fluid and the plasma in the peripheral layer as a Newtonian fluid. The non-Newtonian fluid in the core region of the artery is assumed as a (i Herschel-Bulkley fluid and (ii Casson fluid. Perturbation method is used to solve the resulting system of non-linear partial differential equations. Expressions for various flow quantities are obtained for the two-fluid Casson model. Expressions of the flow quantities obtained by Sankar and Lee (2006 for the two-fluid Herschel-Bulkley model are used to get the data for comparison. It is found that the plug flow velocity and velocity distribution of the two-fluid Casson model are considerably higher than those of the two-fluid Herschel-Bulkley model. It is also observed that the pressure drop, plug core radius, wall shear stress and the resistance to flow are significantly very low for the two-fluid Casson model than those of the two-fluid Herschel-Bulkley model. Hence, the two-fluid Casson model would be more useful than the two-fluid Herschel-Bulkley model to analyze the blood flow through stenosed arteries.
Electronic properties of a biased graphene bilayer
International Nuclear Information System (INIS)
Castro, Eduardo V; Lopes dos Santos, J M B; Novoselov, K S; Morozov, S V; Geim, A K; Peres, N M R; Nilsson, Johan; Castro Neto, A H; Guinea, F
2010-01-01
We study, within the tight-binding approximation, the electronic properties of a graphene bilayer in the presence of an external electric field applied perpendicular to the system-a biased bilayer. The effect of the perpendicular electric field is included through a parallel plate capacitor model, with screening correction at the Hartree level. The full tight-binding description is compared with its four-band and two-band continuum approximations, and the four-band model is shown to always be a suitable approximation for the conditions realized in experiments. The model is applied to real biased bilayer devices, made out of either SiC or exfoliated graphene, and good agreement with experimental results is found, indicating that the model is capturing the key ingredients, and that a finite gap is effectively being controlled externally. Analysis of experimental results regarding the electrical noise and cyclotron resonance further suggests that the model can be seen as a good starting point for understanding the electronic properties of graphene bilayer. Also, we study the effect of electron-hole asymmetry terms, such as the second-nearest-neighbour hopping energies t' (in-plane) and γ 4 (inter-layer), and the on-site energy Δ.
SPH modeling of fluid-solid interaction for dynamic failure analysis of fluid-filled thin shells
Caleyron, F.; Combescure, A.; Faucher, V.; Potapov, S.
2013-05-01
This work concerns the prediction of failure of a fluid-filled tank under impact loading, including the resulting fluid leakage. A water-filled steel cylinder associated with a piston is impacted by a mass falling at a prescribed velocity. The cylinder is closed at its base by an aluminum plate whose characteristics are allowed to vary. The impact on the piston creates a pressure wave in the fluid which is responsible for the deformation of the plate and, possibly, the propagation of cracks. The structural part of the problem is modeled using Mindlin-Reissner finite elements (FE) and Smoothed Particle Hydrodynamics (SPH) shells. The modeling of the fluid is also based on an SPH formulation. The problem involves significant fluid-structure interactions (FSI) which are handled through a master-slave-based method and the pinballs method. Numerical results are compared to experimental data.
Free surface modelling with two-fluid model and reduced numerical diffusion of the interface
International Nuclear Information System (INIS)
Strubelj, Luka; Tiselj, Izrok
2008-01-01
Full text of publication follows: The free surface flows are successfully modelled with one of existing free surface models, such as: level set method, volume of fluid method (with/without surface reconstruction), front tracking, two-fluid model (two momentum equations) with modified interphase force and others. The main disadvantage of two-fluid model used for simulations of free surface flows is numerical diffusion of the interface, which can be significantly reduced using the method presented in this paper. Several techniques for reduction of numerical diffusion of the interface have been implemented in the volume of fluid model and are based on modified numerical schemes for advection of volume fraction near the interface. The same approach could be used also for two-fluid method, but according to our experience more successful reduction of numerical diffusion of the interface can be achieved with conservative level set method. Within the conservative level set method, continuity equation for volume fraction is solved and after that the numerical diffusion of the interface is reduced in such a way that the thickness of the interface is kept constant during the simulation. Reduction of the interface diffusion can be also called interface sharpening. In present paper the two-fluid model with interface sharpening is validated on Rayleigh-Taylor instability. Under assumptions of isothermal and incompressible flow of two immiscible fluids, we simulated a system with the fluid of higher density located above the fluid of smaller density in two dimensions. Due to gravity in the system, fluid with higher density moves below the fluid with smaller density. Initial condition is not a flat interface between the fluids, but a sine wave with small amplitude, which develops into a mushroom-like structure. Mushroom-like structure in simulation of Rayleigh-Taylor instability later develops to small droplets as result of numerical dispersion of interface (interface sharpening
Fluid flow and heat transfer modeling for castings
International Nuclear Information System (INIS)
Domanus, H.M.; Liu, Y.Y.; Sha, W.T.
1986-01-01
Casting is fundamental to manufacturing of many types of equipment and products. Although casting is a very old technology that has been in existence for hundreds of years, it remains a highly empirical technology, and production of new castings requires an expensive and time-consuming trial-and-error approach. In recent years, mathematical modeling of casting has received increasing attention; however, a majority of the modeling work has been in the area of heat transfer and solidification. Very little work has been done in modeling fluid flow of the liquid melt. This paper presents a model of fluid flow coupled with heat transfer of a liquid melt for casting processes. The model to be described in this paper is an extension of the COMMIX code and is capable of handling castings with any shape, size, and material. A feature of this model is the ability to track the liquid/gas interface and liquid/solid interface. The flow of liquid melt through the sprue and runners and into the mold cavity is calculated as well as three-dimensional temperature and velocity distributions of the liquid melt throughout the casting process. 14 refs., 13 figs
Fluid Dynamic Models for Bhattacharyya-Based Discriminant Analysis.
Noh, Yung-Kyun; Hamm, Jihun; Park, Frank Chongwoo; Zhang, Byoung-Tak; Lee, Daniel D
2018-01-01
Classical discriminant analysis attempts to discover a low-dimensional subspace where class label information is maximally preserved under projection. Canonical methods for estimating the subspace optimize an information-theoretic criterion that measures the separation between the class-conditional distributions. Unfortunately, direct optimization of the information-theoretic criteria is generally non-convex and intractable in high-dimensional spaces. In this work, we propose a novel, tractable algorithm for discriminant analysis that considers the class-conditional densities as interacting fluids in the high-dimensional embedding space. We use the Bhattacharyya criterion as a potential function that generates forces between the interacting fluids, and derive a computationally tractable method for finding the low-dimensional subspace that optimally constrains the resulting fluid flow. We show that this model properly reduces to the optimal solution for homoscedastic data as well as for heteroscedastic Gaussian distributions with equal means. We also extend this model to discover optimal filters for discriminating Gaussian processes and provide experimental results and comparisons on a number of datasets.
Numerical modeling of a cryogenic fluid within a fuel tank
Greer, Donald S.
1994-01-01
The computational method developed to study the cryogenic fluid characteristics inside a fuel tank in a hypersonic aircraft is presented. The model simulates a rapid draining of the tank by modeling the ullage vapor and the cryogenic liquid with a moving interface. A mathematical transformation was developed and applied to the Navier-Stokes equations to account for the moving interface. The formulation of the numerical method is a transient hybrid explicit-implicit technique where the pressure term in the momentum equations is approximated to first order in time by combining the continuity equation with an ideal equation of state.
A numerical method for a transient two-fluid model
International Nuclear Information System (INIS)
Le Coq, G.; Libmann, M.
1978-01-01
The transient boiling two-phase flow is studied. In nuclear reactors, the driving conditions for the transient boiling are a pump power decay or/and an increase in heating power. The physical model adopted for the two-phase flow is the two fluid model with the assumption that the vapor remains at saturation. The numerical method for solving the thermohydraulics problems is a shooting method, this method is highly implicit. A particular problem exists at the boiling and condensation front. A computer code using this numerical method allow the calculation of a transient boiling initiated by a steady state for a PWR or for a LMFBR
Modeling vertical loads in pools resulting from fluid injection
International Nuclear Information System (INIS)
Lai, W.; McCauley, E.W.
1978-01-01
Table-top model experiments were performed to investigate pressure suppression pool dynamics effects due to a postulated loss-of-coolant accident (LOCA) for the Peachbottom Mark I boiling water reactor containment system. The results guided subsequent conduct of experiments in the 1 / 5 -scale facility and provided new insight into the vertical load function (VLF). Model experiments show an oscillatory VLF with the download typically double-spiked followed by a more gradual sinusoidal upload. The load function contains a high frequency oscillation superimposed on a low frequency one; evidence from measurements indicates that the oscillations are initiated by fluid dynamics phenomena
Green Algae as Model Organisms for Biological Fluid Dynamics
Goldstein, Raymond E.
2015-01-01
In the past decade, the volvocine green algae, spanning from the unicellular Chlamydomonas to multicellular Volvox, have emerged as model organisms for a number of problems in biological fluid dynamics. These include flagellar propulsion, nutrient uptake by swimming organisms, hydrodynamic interactions mediated by walls, collective dynamics and transport within suspensions of microswimmers, the mechanism of phototaxis, and the stochastic dynamics of flagellar synchronization. Green algae are well suited to the study of such problems because of their range of sizes (from 10 μm to several millimeters), their geometric regularity, the ease with which they can be cultured, and the availability of many mutants that allow for connections between molecular details and organism-level behavior. This review summarizes these recent developments and highlights promising future directions in the study of biological fluid dynamics, especially in the context of evolutionary biology, that can take advantage of these remarkable organisms.
Modeling fluid-rock interaction at Yucca Mountain, Nevada
International Nuclear Information System (INIS)
Viani, B.E.; Bruton, C.J.
1992-08-01
Volcanic rocks at Yucca Mountain, Nevada aie being assessed for their suitability as a potential repository for high-level nuclear waste. Recent progress in modeling fluid-rock interactions, in particular the mineralogical and chemical changes that may accompany waste disposal at Yucca Mountain, will be reviewed in this publication. In Part 1 of this publication, ''Geochemical Modeling of Clinoptilolite-Water Interactions,'' solid-solution and cation-exchange models for the zeolite clinoptilolite are developed and compared to experimental and field observations. At Yucca Mountain, clinoptilolite which is found lining fractures and as a major component of zeolitized tuffs, is expected to play an important role in sequestering radionuclides that may escape from a potential nuclear waste repository. The solid-solution and ion-exchange models were evaluated by comparing predicted stabilities and exchangeable cation distributions of clinoptilolites with: (1) published binary exchange data; (2) compositions of coexisting clinoptilolites and formation waters at Yucca Mountain; (3) experimental sorption isotherms of Cs and Sr on zeolitized tuff, and (4) high temperature experimental data. Good agreement was found between predictions and expertmental data, especially for binary exchange and Cs and Sr sorption on clinoptilolite. Part 2 of this publication, ''Geochemical Simulation of Fluid-Rock Interactions at Yucca Mountain,'' describes preliminary numerical simulations of fluid-rock interactions at Yucca Mountain. The solid-solution model developed in the first part of the paper is used to evaluate the stability and composition of clinciptilolite and other minerals in the host rock under ambient conditions and after waste emplacement
Directory of Open Access Journals (Sweden)
Luis Alberto Bagatolli
2013-11-01
Full Text Available The structure, dynamics, and stability of lipid bilayers are controlled by thermodynamic forces, leading to overall tensionless membranes with a distinct lateral organization and a conspicuous lateral pressure profile. Bilayers are also subject to built-in curvature-stress instabilities that may be released locally or globally in terms of morphological changes leading to the formation of non-lamellar and curved structures. A key controller of the bilayer’s propensity to form curved structures is the average molecular shape of the different lipid molecules. Via the curvature stress, molecular shape mediates a coupling to membrane-protein function and provides a set of physical mechanisms for formation of lipid domains and laterally differentiated regions in the plane of the membrane. Unfortunately, these relevant physical features of membranes are often ignored in the most popular models for biological membranes. Results from a number of experimental and theoretical studies emphasize the significance of these fundamental physical properties and call for a refinement of the fluid mosaic model (and the accompanying raft hypothesis.
Andoh, Yoshimichi; Okazaki, Susumu; Ueoka, Ryuichi
2013-04-01
Molecular dynamics (MD) calculations for the plasma membranes of normal murine thymocytes and thymus-derived leukemic GRSL cells in water have been performed under physiological isothermal-isobaric conditions (310.15K and 1 atm) to investigate changes in membrane properties induced by canceration. The model membranes used in our calculations for normal and leukemic thymocytes comprised 23 and 25 kinds of lipids, respectively, including phosphatidylcholine, phosphatidylethanolamine, phosphatidylserine, phosphatidylinositol, sphingomyelin, lysophospholipids, and cholesterol. The mole fractions of the lipids adopted here were based on previously published experimental values. Our calculations clearly showed that the membrane area was increased in leukemic cells, and that the isothermal area compressibility of the leukemic plasma membranes was double that of normal cells. The calculated membranes of leukemic cells were thus considerably bulkier and softer in the lateral direction compared with those of normal cells. The tilt angle of the cholesterol and the conformation of the phospholipid fatty acid tails both showed a lower level of order in leukemic cell membranes compared with normal cell membranes. The lateral radial distribution function of the lipids also showed a more disordered structure in leukemic cell membranes than in normal cell membranes. These observations all show that, for the present thymocytes, the lateral structure of the membrane is considerably disordered by canceration. Furthermore, the calculated lateral self-diffusion coefficient of the lipid molecules in leukemic cell membranes was almost double that in normal cell membranes. The calculated rotational and wobbling autocorrelation functions also indicated that the molecular motion of the lipids was enhanced in leukemic cell membranes. Thus, here we have demonstrated that the membranes of thymocyte leukemic cells are more disordered and more fluid than normal cell membranes. Copyright © 2013
Modelling of heat transfer to fluids at a supercritical pressure
International Nuclear Information System (INIS)
Shuisheng, He
2014-01-01
A key feature of Supercritical Water-cooled Reactor (SCWR) is that, by raising the pressure of the reactor coolant fluid above the critical value, a phase change crisis is avoided. However, the changes in water density as it flows through the core of an SCWR are actually much higher than in the current water-cooled reactors. In a typical design, the ratio of the density of water at the core inlet to that at exit is as high as 7:1. Other fluid properties also vary significantly, especially around the pseudo-critical temperature (at which the specific heat capacity peaks). As a result, turbulent flow and heat transfer behaviour in the core is extremely complex and under certain conditions, significant heat transfer deterioration can potentially occur. Consequently, understanding and being able to predict flow and heat transfer phenomena under normal steady operation conditions and in start-up and hypothetical fault conditions are fundamental to the design of SCWR. There have been intensive studies on flow and heat transfer to fluids at supercritical pressure recently and several excellent review papers have been published. In the talk, we will focus on some turbulence modelling issues encountered in CFD simulations. The talk will first discuss some flow and heat transfer issues related to fluids at supercritical pressures and their potential implications in SCWR, and some recent developments in the understanding and modelling techniques of such problems, which will be followed by an outlook for some future developments.Factors which have a major influence on the flow and will be discussed are buoyancy and flow acceleration due to thermal expansion (both are due to density variations but involve different mechanisms) and the nonuniformity of other fluid properties. In addition, laminar-turbulent flow transition coupled with buoyancy and flow acceleration plays an important role in heat transfer effectiveness and wall temperature in the entrance region but such
Beyond Poiseuille: Preservation Fluid Flow in an Experimental Model
Directory of Open Access Journals (Sweden)
Saurabh Singh
2013-01-01
Full Text Available Poiseuille’s equation describes the relationship between fluid viscosity, pressure, tubing diameter, and flow, yet it is not known if cold organ perfusion systems follow this equation. We investigated these relationships in an ex vivo model and aimed to offer some rationale for equipment selection. Increasing the cannula size from 14 to 20 Fr increased flow rate by a mean (SD of 13 (12%. Marshall’s hyperosmolar citrate was three times less viscous than UW solution, but flows were only 45% faster. Doubling the bag pressure led to a mean (SD flow rate increase of only 19 (13%, not twice the rate. When external pressure devices were used, 100 mmHg of continuous pressure increased flow by a mean (SD of 43 (17% when compared to the same pressure applied initially only. Poiseuille’s equation was not followed; this is most likely due to “slipping” of preservation fluid within the plastic tubing. Cannula size made little difference over the ranges examined; flows are primarily determined by bag pressure and fluid viscosity. External infusor devices require continuous pressurisation to deliver high flow. Future studies examining the impact of perfusion variables on graft outcomes should include detailed equipment descriptions.
A Fluid Model for Performance Analysis in Cellular Networks
Directory of Open Access Journals (Sweden)
Coupechoux Marceau
2010-01-01
Full Text Available We propose a new framework to study the performance of cellular networks using a fluid model and we derive from this model analytical formulas for interference, outage probability, and spatial outage probability. The key idea of the fluid model is to consider the discrete base station (BS entities as a continuum of transmitters that are spatially distributed in the network. This model allows us to obtain simple analytical expressions to reveal main characteristics of the network. In this paper, we focus on the downlink other-cell interference factor (OCIF, which is defined for a given user as the ratio of its outer cell received power to its inner cell received power. A closed-form formula of the OCIF is provided in this paper. From this formula, we are able to obtain the global outage probability as well as the spatial outage probability, which depends on the location of a mobile station (MS initiating a new call. Our analytical results are compared to Monte Carlo simulations performed in a traditional hexagonal network. Furthermore, we demonstrate an application of the outage probability related to cell breathing and densification of cellular networks.
Sarkar, N; Basu, A
2012-11-01
We construct a coarse-grained effective two-dimensional (2d hydrodynamic theory as a theoretical model for a coupled system of a fluid membrane and a thin layer of a polar active fluid in its ordered state that is anchored to the membrane. We show that such a system is prone to generic instabilities through the interplay of nonequilibrium drive, polar order and membrane fluctuation. We use our model equations to calculate diffusion coefficients of an inclusion in the membrane and show that their values depend strongly on the system size, in contrast to their equilibrium values. Our work extends the work of S. Sankararaman and S. Ramaswamy (Phys. Rev. Lett., 102, 118107 (2009)) to a coupled system of a fluid membrane and an ordered active fluid layer. Our model is broadly inspired by and should be useful as a starting point for theoretical descriptions of the coupled dynamics of a cell membrane and a cortical actin layer anchored to it.
On the equivalence of continuum and lattice models for fluids
International Nuclear Information System (INIS)
Panagiotopoulos, Athanassios Z.
2000-01-01
It was demonstrated that finely discretized lattice models for fluids with particles interacting via Lennard-Jones or exponential-6 potentials have essentially identical thermodynamic and structural properties to their continuum counterparts. Grand canonical histogram reweighting Monte Carlo calculations were performed for systems with repulsion exponents between 11 and 22. Critical parameters were determined from mixed-field finite-size scaling methods. Numerical equivalence of lattice and continuous space models, within simulation uncertainties, was observed for lattices with ratio of particle diameter σ to grid spacing of 10. The lattice model calculations were more efficient computationally by factors between 10 and 20. It was also shown that Lennard-Jones and exponential-6 based models with identical critical properties can be constructed by appropriate choice of the repulsion exponent. (c) 2000 American Institute of Physics
Time response model of ER fluids for precision control of motors
Energy Technology Data Exchange (ETDEWEB)
Koyanagi, Ken' ichi [Toyama Prefectural University, 5180 Kurokawa, Imizu, Toyama (Japan)], E-mail: koyanagi@pu-toyama.ac.jp
2009-02-01
For improvement of control performance or new control demands of mechatronics devices using particle type ER fluids, it will be needed to further investigate a response time of the fluids. It is commonly said around 5-mili seconds, however, the formula structure of that delay has not been clear. This study aims to develop a functional damper (attenuators), that can control its viscous characteristics in real time using ER fluids as its working fluid. ER dampers are useful to accomplish high precision positioning not to prevent high speed movement of the motor. To realize the functional damper that can be manipulated according to situations or tasks, the modeling and control of ER fluids are necessary. This paper investigates time delay affects of ER fluids and makes an in-depth dynamic model of the fluid by utilizing simulation and experiment. The mathematical model has a dead-time and first ordered delays of the fluid and the high voltage amplifier for the fluid.
A coupled chemotaxis-fluid model: Global existence
Liu, Jian-Guo; Lorz, Alexander
2011-01-01
We consider a model arising from biology, consisting of chemotaxis equations coupled to viscous incompressible fluid equations through transport and external forcing. Global existence of solutions to the Cauchy problem is investigated under certain conditions. Precisely, for the chemotaxis-Navier- Stokes system in two space dimensions, we obtain global existence for large data. In three space dimensions, we prove global existence of weak solutions for the chemotaxis-Stokes system with nonlinear diffusion for the cell density.© 2011 Elsevier Masson SAS. All rights reserved.
A coupled chemotaxis-fluid model: Global existence
Liu, Jian-Guo
2011-09-01
We consider a model arising from biology, consisting of chemotaxis equations coupled to viscous incompressible fluid equations through transport and external forcing. Global existence of solutions to the Cauchy problem is investigated under certain conditions. Precisely, for the chemotaxis-Navier- Stokes system in two space dimensions, we obtain global existence for large data. In three space dimensions, we prove global existence of weak solutions for the chemotaxis-Stokes system with nonlinear diffusion for the cell density.© 2011 Elsevier Masson SAS. All rights reserved.
Kelly, Sinead; O'Rourke, Malachy
2012-04-01
This article describes the use of fluid, solid and fluid-structure interaction simulations on three patient-based abdominal aortic aneurysm geometries. All simulations were carried out using OpenFOAM, which uses the finite volume method to solve both fluid and solid equations. Initially a fluid-only simulation was carried out on a single patient-based geometry and results from this simulation were compared with experimental results. There was good qualitative and quantitative agreement between the experimental and numerical results, suggesting that OpenFOAM is capable of predicting the main features of unsteady flow through a complex patient-based abdominal aortic aneurysm geometry. The intraluminal thrombus and arterial wall were then included, and solid stress and fluid-structure interaction simulations were performed on this, and two other patient-based abdominal aortic aneurysm geometries. It was found that the solid stress simulations resulted in an under-estimation of the maximum stress by up to 5.9% when compared with the fluid-structure interaction simulations. In the fluid-structure interaction simulations, flow induced pressure within the aneurysm was found to be up to 4.8% higher than the value of peak systolic pressure imposed in the solid stress simulations, which is likely to be the cause of the variation in the stress results. In comparing the results from the initial fluid-only simulation with results from the fluid-structure interaction simulation on the same patient, it was found that wall shear stress values varied by up to 35% between the two simulation methods. It was concluded that solid stress simulations are adequate to predict the maximum stress in an aneurysm wall, while fluid-structure interaction simulations should be performed if accurate prediction of the fluid wall shear stress is necessary. Therefore, the decision to perform fluid-structure interaction simulations should be based on the particular variables of interest in a given
Bifurcation of self-folded polygonal bilayers
Abdullah, Arif M.; Braun, Paul V.; Hsia, K. Jimmy
2017-09-01
Motivated by the self-assembly of natural systems, researchers have investigated the stimulus-responsive curving of thin-shell structures, which is also known as self-folding. Self-folding strategies not only offer possibilities to realize complicated shapes but also promise actuation at small length scales. Biaxial mismatch strain driven self-folding bilayers demonstrate bifurcation of equilibrium shapes (from quasi-axisymmetric doubly curved to approximately singly curved) during their stimulus-responsive morphing behavior. Being a structurally instable, bifurcation could be used to tune the self-folding behavior, and hence, a detailed understanding of this phenomenon is appealing from both fundamental and practical perspectives. In this work, we investigated the bifurcation behavior of self-folding bilayer polygons. For the mechanistic understanding, we developed finite element models of planar bilayers (consisting of a stimulus-responsive and a passive layer of material) that transform into 3D curved configurations. Our experiments with cross-linked Polydimethylsiloxane samples that change shapes in organic solvents confirmed our model predictions. Finally, we explored a design scheme to generate gripper-like architectures by avoiding the bifurcation of stimulus-responsive bilayers. Our research contributes to the broad field of self-assembly as the findings could motivate functional devices across multiple disciplines such as robotics, artificial muscles, therapeutic cargos, and reconfigurable biomedical devices.
Dynamic dielectrophoresis model of multi-phase ionic fluids.
Directory of Open Access Journals (Sweden)
Ying Yan
Full Text Available Ionic-based dielectrophoretic microchips have attracted significant attention due to their wide-ranging applications in electro kinetic and biological experiments. In this work, a numerical method is used to simulate the dynamic behaviors of ionic droplets in a microchannel under the effect of dielectrophoresis. When a discrete liquid dielectric is encompassed within a continuous fluid dielectric placed in an electric field, an electric force is produced due to the dielectrophoresis effect. If either or both of the fluids are ionic liquids, the magnitude and even the direction of the force will be changed because the net ionic charge induced by an electric field can affect the polarization degree of the dielectrics. However, using a dielectrophoresis model, assuming ideal dielectrics, results in significant errors. To avoid the inaccuracy caused by the model, this work incorporates the electrode kinetic equation and defines a relationship between the polarization charge and the net ionic charge. According to the simulation conditions presented herein, the electric force obtained in this work has an error exceeding 70% of the actual value if the false effect of net ionic charge is not accounted for, which would result in significant issues in the design and optimization of experimental parameters. Therefore, there is a clear motivation for developing a model adapted to ionic liquids to provide precise control for the dielectrophoresis of multi-phase ionic liquids.
Dynamic dielectrophoresis model of multi-phase ionic fluids.
Yan, Ying; Luo, Jing; Guo, Dan; Wen, Shizhu
2015-01-01
Ionic-based dielectrophoretic microchips have attracted significant attention due to their wide-ranging applications in electro kinetic and biological experiments. In this work, a numerical method is used to simulate the dynamic behaviors of ionic droplets in a microchannel under the effect of dielectrophoresis. When a discrete liquid dielectric is encompassed within a continuous fluid dielectric placed in an electric field, an electric force is produced due to the dielectrophoresis effect. If either or both of the fluids are ionic liquids, the magnitude and even the direction of the force will be changed because the net ionic charge induced by an electric field can affect the polarization degree of the dielectrics. However, using a dielectrophoresis model, assuming ideal dielectrics, results in significant errors. To avoid the inaccuracy caused by the model, this work incorporates the electrode kinetic equation and defines a relationship between the polarization charge and the net ionic charge. According to the simulation conditions presented herein, the electric force obtained in this work has an error exceeding 70% of the actual value if the false effect of net ionic charge is not accounted for, which would result in significant issues in the design and optimization of experimental parameters. Therefore, there is a clear motivation for developing a model adapted to ionic liquids to provide precise control for the dielectrophoresis of multi-phase ionic liquids.
Two-fluid model stability, simulation and chaos
Bertodano, Martín López de; Clausse, Alejandro; Ransom, Victor H
2017-01-01
This book addresses the linear and nonlinear two-phase stability of the one-dimensional Two-Fluid Model (TFM) material waves and the numerical methods used to solve it. The TFM fluid dynamic stability is a problem that remains open since its inception more than forty years ago. The difficulty is formidable because it involves the combined challenges of two-phase topological structure and turbulence, both nonlinear phenomena. The one dimensional approach permits the separation of the former from the latter. The authors first analyze the kinematic and Kelvin-Helmholtz instabilities with the simplified one-dimensional Fixed-Flux Model (FFM). They then analyze the density wave instability with the well-known Drift-Flux Model. They demonstrate that the Fixed-Flux and Drift-Flux assumptions are two complementary TFM simplifications that address two-phase local and global linear instabilities separately. Furthermore, they demonstrate with a well-posed FFM and a DFM two cases of nonlinear two-phase behavior that are ...
Edge states in gated bilayer-monolayer graphene ribbons and bilayer domain walls
Mirzakhani, M.; Zarenia, M.; Peeters, F. M.
2018-05-01
Using the effective continuum model, the electron energy spectrum of gated bilayer graphene with a step-like region of decoupled graphene layers at the edge of the sample is studied. Different types of coupled-decoupled interfaces are considered, i.e., zigzag (ZZ) and armchair junctions, which result in significant different propagating states. Two non-valley-polarized conducting edge states are observed for ZZ type, which are mainly located around the ZZ-ended graphene layers. Additionally, we investigated both BA-BA and BA-AB domain walls in the gated bilayer graphene within the continuum approximation. Unlike the BA-BA domain wall, which exhibits gapped insulating behaviour, the domain walls surrounded by different stackings of bilayer regions feature valley-polarized edge states. Our findings are consistent with other theoretical calculations, such as from the tight-binding model and first-principles calculations, and agree with experimental observations.
Modeling of dilute and dense dispersed fluid-particle flow
Energy Technology Data Exchange (ETDEWEB)
Laux, Harald
1998-08-01
A general two-fluid model is derived and applied in CFD computations to various test cases of important industrial multiphase flows. It is general in the sense of its applicability to dilute and dense dispersed fluid-particle flows. The model is limited to isothermal flow without mass transfer and only one particle phase is described. The instantaneous fluid phase equations, including the phase interaction terms, are derived from a volume averaging technique, and the instantaneous particle phase equations are derived from the kinetic theory of granular material. Whereas the averaging procedure, the treatment of the interaction terms, and the kinetic theory approach have been reported in literature prior to this work the combination of the approaches is new. The resulting equations are derived without ambiguity in the interpretation of the particle phase pressure (equation-of-state of particle phase). The basic modeling for the particle phase is improved in two steps. Because in the basic modeling only stresses due to kinetic and collisional interactions are included, a simple model for an effective viscosity is developed in order to allow also frictional stresses within the particle phase. Moreover, turbulent stresses and turbulent dispersion of particles play often an important role for the transport processes. Therefore in a second step, a two-equation turbulence model for both fluid and particle phase turbulence is derived by applying the phasic average to the instantaneous equations. The resulting k-{epsilon}-k{sup d}-{epsilon}{sup d} model is new. Mathematical closure is attempted such that the resulting set of equations is valid for both dilute arid dense flows. During the development of the closure relations a clear distinction is made between granular or ''viscous'' microscale fluctuations and turbulent macro scale fluctuations (true particle turbulence) within the particle phase. The set of governing equations is discretized by using a
Modeling of dilute and dense dispersed fluid-particle flow
Energy Technology Data Exchange (ETDEWEB)
Laux, Harald
1998-08-01
A general two-fluid model is derived and applied in CFD computations to various test cases of important industrial multiphase flows. It is general in the sense of its applicability to dilute and dense dispersed fluid-particle flows. The model is limited to isothermal flow without mass transfer and only one particle phase is described. The instantaneous fluid phase equations, including the phase interaction terms, are derived from a volume averaging technique, and the instantaneous particle phase equations are derived from the kinetic theory of granular material. Whereas the averaging procedure, the treatment of the interaction terms, and the kinetic theory approach have been reported in literature prior to this work the combination of the approaches is new. The resulting equations are derived without ambiguity in the interpretation of the particle phase pressure (equation-of-state of particle phase). The basic modeling for the particle phase is improved in two steps. Because in the basic modeling only stresses due to kinetic and collisional interactions are included, a simple model for an effective viscosity is developed in order to allow also frictional stresses within the particle phase. Moreover, turbulent stresses and turbulent dispersion of particles play often an important role for the transport processes. Therefore in a second step, a two-equation turbulence model for both fluid and particle phase turbulence is derived by applying the phasic average to the instantaneous equations. The resulting k-{epsilon}-k{sup d}-{epsilon}{sup d} model is new. Mathematical closure is attempted such that the resulting set of equations is valid for both dilute arid dense flows. During the development of the closure relations a clear distinction is made between granular or ''viscous'' microscale fluctuations and turbulent macro scale fluctuations (true particle turbulence) within the particle phase. The set of governing equations is discretized by using a finite volume method
Studying Validity of Single-Fluid Model in Inertial Confinement Fusion
International Nuclear Information System (INIS)
Gu Jian-Fa; Fan Zheng-Feng; Dai Zhen-Sheng; Ye Wen-Hua; Pei Wen-Bing; Zhu Shao-Ping
2014-01-01
The validity of single-fluid model in inertial confinement fusion simulations is studied by comparing the results of the multi- and single-fluid models. The multi-fluid model includes the effects of collision and interpenetration between fluid species. By simulating the collision of fluid species, steady-state shock propagation into the thin DT gas and expansion of hohlraum Au wall heated by lasers, the results show that the validity of single-fluid model is strongly dependent on the ratio of the characteristic length of the simulated system to the particle mean free path. When the characteristic length L is one order larger than the mean free path λ, the single-fluid model's results are found to be in good agreement with the multi-fluid model's simulations, and the modeling of single-fluid remains valid. If the value of L/λ is lower than 10, the interpenetration between fluid species is significant, and the single-fluid simulations show some unphysical results; while the multi-fluid model can describe well the interpenetration and mix phenomena, and give more reasonable results. (physics of gases, plasmas, and electric discharges)
Modelling of fluid-solid interaction using two stand-alone codes
CSIR Research Space (South Africa)
Grobler, Jan H
2010-01-01
Full Text Available A method is proposed for the modelling of fluid-solid interaction in applications where fluid forces dominate. Data are transferred between two stand-alone codes: a dedicated computational fluid dynamics (CFD) code capable of free surface modelling...
Zweers, M. M.; Splint, L. J.; Krediet, R. T.; Struijk, D. G.
2001-01-01
OBJECTIVE: Hemoconcentration may influence peritoneal permeability parameters in anesthetized animals without fluid supplementation. Therefore, the aim of this study was to investigate the effects of fluid supplementation on peritoneal permeability in an acute peritoneal dialysis model in
Fluid model of inductively coupled plasma etcher based on COMSOL
International Nuclear Information System (INIS)
Cheng Jia; Ji Linhong; Zhu Yu; Shi Yixiang
2010-01-01
Fluid dynamic models are generally appropriate for the investigation of inductively coupled plasmas. A commercial ICP etcher filled with argon plasma is simulated in this study. The simulation is based on a multiphysical software, COMSOL(TM), which is a partial differential equation solver. Just as with other plasma fluid models, there are drift-diffusion approximations for ions, the quasi-neutrality assumption for electrons movements, reduced Maxwell equations for electromagnetic fields, electron energy equations for electron temperatures and the Navier-Stokes equation for neutral background gas. The two-dimensional distribution of plasma parameters are shown at 200 W of power and 1.33 Pa (10 mTorr) of pressure. Then the profile comparison of the electron number density and temperature with respect to power is illustrated. Finally we believe that there might be some disagreement between the predicted values and the real ones, and the reasons for this difference would be the Maxwellian eedf assumption and the lack of the cross sections of collisions and the reaction rates. (semiconductor physics)
Experiments and Modeling of G-Jitter Fluid Mechanics
Leslie, F. W.; Ramachandran, N.; Whitaker, Ann F. (Technical Monitor)
2002-01-01
While there is a general understanding of the acceleration environment onboard an orbiting spacecraft, past research efforts in the modeling and analysis area have still not produced a general theory that predicts the effects of multi-spectral periodic accelerations on a general class of experiments nor have they produced scaling laws that a prospective experimenter can use to assess how an experiment might be affected by this acceleration environment. Furthermore, there are no actual flight experimental data that correlates heat or mass transport with measurements of the periodic acceleration environment. The present investigation approaches this problem with carefully conducted terrestrial experiments and rigorous numerical modeling for better understanding the effect of residual gravity and gentler on experiments. The approach is to use magnetic fluids that respond to an imposed magnetic field gradient in much the same way as fluid density responds to a gravitational field. By utilizing a programmable power source in conjunction with an electromagnet, both static and dynamic body forces can be simulated in lab experiments. The paper provides an overview of the technique and includes recent results from the experiments.
Two-fluid model LES of a bubble column
International Nuclear Information System (INIS)
Brahma N Reddy Vanga; Martin A Lopez de Bertodano; Eckhard Krepper; Alexandr Zaruba; Horst-Michael Prasser
2005-01-01
The hydrodynamics of a rectangular bubble column operating in the dispersed bubbly regime has been numerically investigated using a two-fluid model Large Eddy Simulation (LES). Experimental data were obtained to validate the model. LES computational fluid dynamic calculations of the transient flow for the bubble column were performed to account for the turbulence in the liquid phase. The computational mesh is of the same scale as the bubble size. The sub grid-scale Reynolds stresses were calculated with the Smagorinsky model. Furthermore, the effect of the bubbles on the turbulence in the continuous phase was modeled using Sato's eddy viscosity model for bubble-induced turbulence. Mean quantities were computed by averaging over a time period that was longer than the dynamic time scales of the turbulence, in particular the void fraction and the average velocity of the bubbles. A systematic analysis of the effect of the interfacial momentum transfer terms on these quantities has been conducted. The bubble column was locally aerated using a sparger located in the center of the bottom plate. The experimental studies involve wire-mesh tomography measurements for void fraction and bubble size distributions and digital image processing of high speed camera images for estimation of bubble velocities, size distributions and flow patterns. Experiments were performed for various aspect ratios (height of water column to width ratio) and superficial gas velocities. It was found that the non-drag bubble forces play a very prominent role in the predicting the correct flow pattern and void fraction distributions. In the calculations, the lift force and the wall force were considered. A 'wall peak' in the time averaged void fraction distribution has been experimentally observed and this cannot be predicted without including these non-drag forces in the numerical calculations. In this paper, experimental data are compared with the results of the numerical simulations. (authors)
Peristaltic Transport of a Rheological Fluid: Model for Movement of Food Bolus Through Esophagus
Misra, J. C.; Maiti, S.
2011-01-01
Fluid mechanical peristaltic transport through esophagus has been of concern in the paper. A mathematical model has been developed with an aim to study the peristaltic transport of a rheological fluid for arbitrary wave shapes and tube lengths. The Ostwald-de Waele power law of viscous fluid is considered here to depict the non-Newtonian behaviour of the fluid. The model is formulated and analyzed with the specific aim of exploring some important information concerning the movement of food bo...
Lipid peroxidation and water penetration in lipid bilayers
DEFF Research Database (Denmark)
Conte, Elena; Megli, Francesco Maria; Khandelia, Himanshu
2012-01-01
to the hydroperoxide groups to interact with the nitroxide at the methyl-terminal, confirming that the H-bonds experimentally observed are due to increased water penetration in the bilayer. The EPR and MD data on model membranes demonstrate that cell membrane damage by oxidative stress cause alteration of water......(zz) parameters revealed that OHPLPC, but mostly HpPLPC, induced a measurable increase in polarity and H-bonding propensity in the central region of the bilayer. Molecular dynamics simulation performed on 16-DSA in the PLPC-HpPLPC bilayer revealed that water molecules are statistically favored with respect...
Modeling Study of High Pressure and High Temperature Reservoir Fluids
DEFF Research Database (Denmark)
Varzandeh, Farhad
properties like saturation pressures, densities at reservoir temperature and Stock TankviOil (STO) densities, while keeping the n-alkane limit of the correlations unchanged. Apart from applying this general approach to PC-SAFT, we have also shown that the approach can be applied to classical cubic models...... approach to characterizing reservoir fluids for any EoS. The approach consists in developing correlations of model parameters first with a database for well-defined components and then adjusting the correlations with a large PVT database. The adjustment is made to minimize the deviation in key PVT...... method to SRK and PR improved the saturation pressure calculation in comparisonto the original characterization method for SRK and PR. Using volume translationtogether with the new characterization approach for SRK and PR gives comparable results for density and STO density to that of original...
Tethered and Polymer Supported Bilayer Lipid Membranes: Structure and Function
Directory of Open Access Journals (Sweden)
Jakob Andersson
2016-05-01
Full Text Available Solid supported bilayer lipid membranes are model systems to mimic natural cell membranes in order to understand structural and functional properties of such systems. The use of a model system allows for the use of a wide variety of analytical tools including atomic force microscopy, impedance spectroscopy, neutron reflectometry, and surface plasmon resonance spectroscopy. Among the large number of different types of model membranes polymer-supported and tethered lipid bilayers have been shown to be versatile and useful systems. Both systems consist of a lipid bilayer, which is de-coupled from an underlying support by a spacer cushion. Both systems will be reviewed, with an emphasis on the effect that the spacer moiety has on the bilayer properties.
Development of bubble-induced turbulence model for advanced two-fluid model
International Nuclear Information System (INIS)
Hosoi, Hideaki; Yoshida, Hiroyuki
2011-01-01
A two-fluid model can simulate two-phase flow by computational cost less than detailed two-phase flow simulation method such as interface tracking method. The two-fluid model is therefore useful for thermal hydraulic analysis in the large-scale domain such as rod bundles. However, since the two-fluid model includes a lot of constitutive equations verified by use of experimental results, it has problems that the result of analyses depends on accuracy of the constitutive equations. To solve these problems, an advanced two-fluid model has been developed by Japan Atomic Energy Agency. In this model, interface tracking method is combined with two-fluid model to accurately predict large interface structure behavior. Liquid clusters and bubbles larger than a computational cell are calculated using the interface tracking method, and those smaller than the cell are simulated by the two-fluid model. The constitutive equations to evaluate the effects of small bubbles or droplets on two-phase flow are also required in the advanced two-fluid model, just as with the conventional two-fluid model. However, the dependency of small bubbles and droplets on two-phase flow characteristics is relatively small, and fewer experimental results are required to verify the characteristics of large interface structures. Turbulent dispersion force model is one of the most important constitutive equations for the advanced two-fluid model. The turbulent dispersion force model has been developed by many researchers for the conventional two-fluid model. However, existing models implicitly include the effects of large bubbles and the deformation of bubbles, and are unfortunately not applicable to the advanced two-fluid model. In the previous study, the authors suggested the turbulent dispersion force model based on the analogy of Brownian motion. And the authors improved the turbulent dispersion force model in consideration of bubble-induced turbulence to improve the analysis results for small
Comparison of kinetic and fluid neutral models for attached and detached state
International Nuclear Information System (INIS)
Furubayashi, M.; Hoshino, K.; Toma, M.; Hatayama, A.; Coster, D.; Schneider, R.; Bonnin, X.; Kawashima, H.; Asakura, N.; Suzuki, Y.
2009-01-01
Neutral behavior has an important role in the transport simulations of the edge plasma. Most of the edge plasma transport codes treat neutral particles by a simple fluid model or a kinetic model. The fluid model allows faster calculations. However, the applicability of the fluid model is limited. In this study, simulation results of JT-60U from kinetic neutral model and fluid neutral model are compared under the attached and detached state, using the 2D edge plasma code package, SOLPS5.0. In the SOL region, no significant differences are observed in the upstream plasma profiles between kinetic and fluid neutral models. However, in the divertor region, large differences are observed in plasma and neutral profiles. Therefore, further optimization of the fluid neutral model should be performed. Otherwise kinetic neutral model should be used to analyze the divertor region.
Tribology of implantation bilayers
International Nuclear Information System (INIS)
Pivin, J.C.
1989-01-01
The mechanical behaviour of implantation films must be analysed in terms of bilayer rheology (laws of mechanical behaviour). Tribology takes into account thermodynamical, chemical and metallurgical parameters to interpret the friction properties of a system as a whole. One can distinguish between alloying effects of ion implantation and structural modifications. Alloying affects the basic properties of the crystal: elasticity, cohesion, mobility of planar defects, and its surface electronic structure, which determines the reactivity with the atmosphere or the friction counterpart (adhesion). Radiation damage and phase changes act more particularly on the modes of gliding and climbing of dislocations, and fracture mechanisms. 105 refs.; 11 figs.; 1 table
BOOK REVIEW: Plasma and Fluid Turbulence: Theory and Modelling
Yoshizawa, A.; Itoh, S. I.; Itoh, K.
2003-03-01
The area of turbulence has been covered by many books over the years. This has, of course, mainly been fluid turbulence, while the area of plasma turbulence has been treated much less. This book by Yoshizawa et al covers both plasma and fluid turbulence, in a way that does justice to both areas at the same time as cross-disciplinary aspects are illuminated. The book should be useful to physicists working in both areas partly because it examines fundamental aspects in a pedagogical way, partly because it is up to date and partly because of the cross-disciplinary aspects which enrich both areas. It is written as an advanced textbook. The reader should have previous knowledge of at least one of the areas and also some background in statistical physics. The book starts with the very important and highly up to date area of structure formation which is relevant both to fluids and plasmas. Here, pipe flow of fluids is treated as an introduction to the area, then follows discussion of the generation of magnetic fields by turbulent motion in stellar objects and stucture formation in plasmas confined by a magnetic field. Also the concept of bifurcation is introduced. This part builds up knowledge from the simple fluid case to the problems of magnetic confinement of plasmas in a very pedagogical way. It continues by introducing the fundamentals of fluid turbulence. This is done very systematically and concepts useful for industrial applications like the K-e method and several ways of heuristic modelling are introduced. Also the two dimensional vortex equation, which is also relevant to magnetized plasmas is introduced. In chapter 5 the statistical theory of turbulence is treated. It starts with a very nice and easy to understand example of renormalization of a simple nonlinear equation where the exact solution is known. It introduces the method of partial renormalization, Greens functions and the direct interaction approximation (DIA). The book then continues with an
Dynamic modeling of fluid power transmissions for wind turbines
Diepeveen, N.F.B.; Jarquin Laguna, A.
2011-01-01
Fluid power transmission for wind turbines is quietly gaining more ground/interest. The principle of the various concepts presented so far is to convert aerodynamic torque of the rotor blades into a pressurized fluid flow by means of a positive displacement pump. At the other end of the fluid power
Multiscale modeling of fluid flow and mass transport
Masuoka, K.; Yamamoto, H.; Bijeljic, B.; Lin, Q.; Blunt, M. J.
2017-12-01
In recent years, there are some reports on a simulation of fluid flow in pore spaces of rocks using Navier-Stokes equations. These studies mostly adopt a X-ray CT to create 3-D numerical grids of the pores in micro-scale. However, results may be of low accuracy when the rock has a large pore size distribution, because pores, whose size is smaller than resolution of the X-ray CT may be neglected. We recently found out by tracer tests in a laboratory using a brine saturated Ryukyu limestone and inject fresh water that a decrease of chloride concentration took longer time. This phenomenon can be explained due to weak connectivity of the porous networks. Therefore, it is important to simulate entire pore spaces even those of very small sizes in which diffusion is dominant. We have developed a new methodology for multi-level modeling for pore scale fluid flow in porous media. The approach is to combine pore-scale analysis with Darcy-flow analysis using two types of X-ray CT images in different resolutions. Results of the numerical simulations showed a close match with the experimental results. The proposed methodology is an enhancement for analyzing mass transport and flow phenomena in rocks with complicated pore structure.
Benveniste, Helene; Nedergaard, Maikan; Lee, Hedok; Gao, Yi; Tannenbaum, Allen; Ratner, Vadim
2016-01-01
It was recently shown that the brain-wide cerebrospinal fluid (CSF) and interstitial fluid exchange system designated the `glymphatic pathway' plays a key role in removing waste products from the brain, similarly to the lymphatic system in other body organs [1,2]. It is therefore important to study the flow patterns of glymphatic transport through the live brain in order to better understand its functionality in normal and pathological states. Unlike blood, the CSF does not flow rapidly throu...
Dzwinel, Witold; Yuen, David A
2002-03-15
The dispersion of the agglomerating fluid process involving colloids has been investigated at the mesoscale level by a discrete particle approach--the hybrid fluid-particle model (FPM). Dynamical processes occurring in the granulation of colloidal agglomerate in solvents are severely influenced by coupling between the dispersed microstructures and the global flow. On the mesoscale this coupling is further exacerbated by thermal fluctuations, particle-particle interactions between colloidal beds, and hydrodynamic interactions between colloidal beds and the solvent. Using the method of FPM, we have tackled the problem of dispersion of a colloidal slab being accelerated in a long box filled with a fluid. Our results show that the average size of the agglomerated fragments decreases with increasing shearing rate gamma, according to the power law A x gamma(k), where k is around 2. For larger values of gamma, the mean size of the agglomerate S(avg) increases slowly with gamma from the collisions between the aggregates and the longitudinal stretching induced by the flow. The proportionality constant A increases exponentially with the scaling factor of the attractive forces acting between the colloidal particles. The value of A shows a rather weak dependence on the solvent viscosity. But A increases proportionally with the scaling factor of the colloid-solvent dissipative interactions. Similar type of dependence can be found for the mixing induced by Rayleigh-Taylor instabilities involving the colloidal agglomerate and the solvent. Three types of fragmentation structures can be identified, which are called rupture, erosion, and shatter. They generate very complex structures with multiresolution character. The aggregation of colloidal beds is formed by the collisions between aggregates, which are influenced by the flow or by the cohesive forces for small dispersion energies. These results may be applied to enhance our understanding concerning the nonlinear complex
Mathematical modeling for laminar flow of power law fluid in porous media
Energy Technology Data Exchange (ETDEWEB)
Silva, Renato A.; Mesquita, Maximilian S. [Universidade Federal do Espirito Santo (UFES), Sao Mateus, ES (Brazil). Centro Universitario Norte do Espirito Santo. Dept. de Engenharias e Computacao
2010-07-01
In this paper, the macroscopic equations for laminar power-law fluid flow is obtained for a porous medium starting from traditional equations (Navier-Stokes). Then, the volume averaging is applied in traditional transport equations with the power-law fluid model. This procedure leads to macroscopic transport equations set for non-Newtonian fluid. (author)
A Bingham-plastic model for fluid mud transport under waves and currents
Liu, Chun-rong; Wu, Bo; Huhe, Ao-de
2014-04-01
Simplified equations of fluid mud motion, which is described as Bingham-Plastic model under waves and currents, are presented by order analysis. The simplified equations are non-linear ordinary differential equations which are solved by hybrid numerical-analytical technique. As the computational cost is very low, the effects of wave current parameters and fluid mud properties on the transportation velocity of the fluid mud are studied systematically. It is found that the fluid mud can move toward one direction even if the shear stress acting on the fluid mud bed is much smaller than the fluid mud yield stress under the condition of wave and current coexistence. Experiments of the fluid mud motion under current with fluctuation water surface are carried out. The fluid mud transportation velocity predicted by the presented mathematical model can roughly match that measured in experiments.
COTHERM: Modelling fluid-rock interactions in Icelandic geothermal systems
Thien, Bruno; Kosakowski, Georg; Kulik, Dmitrii
2014-05-01
Mineralogical alteration of reservoir rocks, driven by fluid circulation in natural or enhanced geothermal systems, is likely to influence the long-term performance of geothermal power generation. A key factor is the change of porosity due to dissolution of primary minerals and precipitation of secondary phases. Porosity changes will affect fluid circulation and solute transport, which, in turn, influence mineralogical alteration. This study is part of the Sinergia COTHERM project (COmbined hydrological, geochemical and geophysical modeling of geotTHERMal systems) that is an integrative research project aimed at improving our understanding of the sub-surface processes in magmatically-driven natural geothermal systems. We model the mineralogical and porosity evolution of Icelandic geothermal systems with 1D and 2D reactive transport models. These geothermal systems are typically high enthalphy systems where a magmatic pluton is located at a few kilometers depth. The shallow plutons increase the geothermal gradient and trigger the circulation of hydrothermal waters with a steam cap forming at shallow depth. We investigate two contrasting geothermal systems: Krafla, for which the water recharge consists of meteoritic water; and Reykjanes, for which the water recharge mainly consists of seawater. The initial rock composition is a fresh basalt. We use the GEM-Selektor geochemical modeling package [1] for calculation of kinetically controlled mineral equilibria between the rock and the ingression water. We consider basalt minerals dissolution kinetics according to Palandri & Kharaka [2]. Reactive surface areas are assumed to be geometric surface areas, and are corrected using a spherical-particle surface/mass relationship. For secondary minerals, we consider the partial equilibrium assuming that the primary mineral dissolution is slow, and the secondary mineral precipitation is fast. Comparison of our modeling results with the mineralogical assemblages observed in the
Supported Lipid Bilayers with Phosphatidylethanolamine as the Major Component.
Sendecki, Anne M; Poyton, Matthew F; Baxter, Alexis J; Yang, Tinglu; Cremer, Paul S
2017-11-21
Phosphatidylethanolamine (PE) is notoriously difficult to incorporate into model membrane systems, such as fluid supported lipid bilayers (SLBs), at high concentrations because of its intrinsic negative curvature. Using fluorescence-based techniques, we demonstrate that having fewer sites of unsaturation in the lipid tails leads to high-quality SLBs because these lipids help to minimize the curvature. Moreover, shorter saturated chains can help maintain the membranes in the fluid phase. Using these two guidelines, we find that up to 70 mol % PE can be incorporated into SLBs at room temperature and up to 90 mol % PE can be incorporated at 37 °C. Curiously, conditions under which three-dimensional tubules project outward from the planar surface as well as conditions under which domain formation occurs can be found. We have employed these model membrane systems to explore the ability of Ni 2+ to bind to PE. It was found that this transition metal ion binds 1000-fold tighter to PE than to phosphatidylcholine lipids. In the future, this platform could be exploited to monitor the binding of other transition metal ions or the binding of antimicrobial peptides. It could also be employed to explore the physical properties of PE-containing membranes, such as phase domain behavior and intermolecular hydrogen bonding.
Revisited global drift fluid model for linear devices
International Nuclear Information System (INIS)
Reiser, Dirk
2012-01-01
The problem of energy conserving global drift fluid simulations is revisited. It is found that for the case of cylindrical plasmas in a homogenous magnetic field, a straightforward reformulation is possible avoiding simplifications leading to energetic inconsistencies. The particular new feature is the rigorous treatment of the polarisation drift by a generalization of the vorticity equation. The resulting set of model equations contains previous formulations as limiting cases and is suitable for efficient numerical techniques. Examples of applications on studies of plasma blobs and its impact on plasma target interaction are presented. The numerical studies focus on the appearance of plasma blobs and intermittent transport and its consequences on the release of sputtered target materials in the plasma. Intermittent expulsion of particles in radial direction can be observed and it is found that although the neutrals released from the target show strong fluctuations in their propagation into the plasma column, the overall effect on time averaged profiles is negligible for the conditions considered. In addition, the numerical simulations are utilised to perform an a-posteriori assessment of the magnitude of energetic inconsistencies in previously used simplified models. It is found that certain popular approximations, in particular by the use of simplified vorticity equations, do not significantly affect energetics. However, popular model simplifications with respect to parallel advection are found to provide significant deterioration of the model consistency.
Wavepacket revivals in monolayer and bilayer graphene rings.
García, Trinidad; Rodríguez-Bolívar, Salvador; Cordero, Nicolás A; Romera, Elvira
2013-06-12
We have studied the existence of quantum revivals in graphene quantum rings within a simplified model. The time evolution of a Gaussian-populated wavepacket shows revivals in monolayer and bilayer graphene rings. We have also studied this behavior for quantum rings in a perpendicular magnetic field. We have found that revival time is an observable that shows different values for monolayer and bilayer graphene quantum rings. In addition, the revival time shows valley degeneracy breaking.
Wavepacket revivals in monolayer and bilayer graphene rings
International Nuclear Information System (INIS)
García, Trinidad; Rodríguez-Bolívar, Salvador; Cordero, Nicolás A; Romera, Elvira
2013-01-01
We have studied the existence of quantum revivals in graphene quantum rings within a simplified model. The time evolution of a Gaussian-populated wavepacket shows revivals in monolayer and bilayer graphene rings. We have also studied this behavior for quantum rings in a perpendicular magnetic field. We have found that revival time is an observable that shows different values for monolayer and bilayer graphene quantum rings. In addition, the revival time shows valley degeneracy breaking. (paper)
Directory of Open Access Journals (Sweden)
Charles Oliver Morton
Full Text Available The initial stages of the interaction between the host and Aspergillus fumigatus at the alveolar surface of the human lung are critical in the establishment of aspergillosis. Using an in vitro bilayer model of the alveolus, including both the epithelium (human lung adenocarcinoma epithelial cell line, A549 and endothelium (human pulmonary artery epithelial cells, HPAEC on transwell membranes, it was possible to closely replicate the in vivo conditions. Two distinct sub-groups of dendritic cells (DC, monocyte-derived DC (moDC and myeloid DC (mDC, were included in the model to examine immune responses to fungal infection at the alveolar surface. RNA in high quantity and quality was extracted from the cell layers on the transwell membrane to allow gene expression analysis using tailored custom-made microarrays, containing probes for 117 immune-relevant genes. This microarray data indicated minimal induction of immune gene expression in A549 alveolar epithelial cells in response to germ tubes of A. fumigatus. In contrast, the addition of DC to the system greatly increased the number of differentially expressed immune genes. moDC exhibited increased expression of genes including CLEC7A, CD209 and CCL18 in the absence of A. fumigatus compared to mDC. In the presence of A. fumigatus, both DC subgroups exhibited up-regulation of genes identified in previous studies as being associated with the exposure of DC to A. fumigatus and exhibiting chemotactic properties for neutrophils, including CXCL2, CXCL5, CCL20, and IL1B. This model closely approximated the human alveolus allowing for an analysis of the host pathogen interface that complements existing animal models of IA.
Computational Fluid Dynamics Model for Saltstone Vault 4 Vapor Space
International Nuclear Information System (INIS)
Lee, Si Young
2005-01-01
Computational fluid dynamics (CFD) methods have been used to estimate the flow patterns for vapor space inside the Saltstone Vault No.4 under different operating scenarios. The purpose of this work is to examine the gas motions inside the vapor space under the current vault configurations. A CFD model took three-dimensional transient momentum-energy coupled approach for the vapor space domain of the vault. The modeling calculations were based on prototypic vault geometry and expected normal operating conditions as defined by Waste Solidification Engineering. The modeling analysis was focused on the air flow patterns near the ventilated corner zones of the vapor space inside the Saltstone vault. The turbulence behavior and natural convection mechanism used in the present model were benchmarked against the literature information and theoretical results. The verified model was applied to the Saltstone vault geometry for the transient assessment of the air flow patterns inside the vapor space of the vault region using the boundary conditions as provided by the customer. The present model considered two cases for the estimations of the flow patterns within the vapor space. One is the reference baseline case. The other is for the negative temperature gradient between the roof inner and top grout surface temperatures intended for the potential bounding condition. The flow patterns of the vapor space calculated by the CFD model demonstrate that the ambient air comes into the vapor space of the vault through the lower-end ventilation hole, and it gets heated up by the Benard-cell type circulation before leaving the vault via the higher-end ventilation hole. The calculated results are consistent with the literature information
Numerical models for fluid-grains interactions: opportunities and limitations
Esteghamatian, Amir; Rahmani, Mona; Wachs, Anthony
2017-06-01
In the framework of a multi-scale approach, we develop numerical models for suspension flows. At the micro scale level, we perform particle-resolved numerical simulations using a Distributed Lagrange Multiplier/Fictitious Domain approach. At the meso scale level, we use a two-way Euler/Lagrange approach with a Gaussian filtering kernel to model fluid-solid momentum transfer. At both the micro and meso scale levels, particles are individually tracked in a Lagrangian way and all inter-particle collisions are computed by a Discrete Element/Soft-sphere method. The previous numerical models have been extended to handle particles of arbitrary shape (non-spherical, angular and even non-convex) as well as to treat heat and mass transfer. All simulation tools are fully-MPI parallel with standard domain decomposition and run on supercomputers with a satisfactory scalability on up to a few thousands of cores. The main asset of multi scale analysis is the ability to extend our comprehension of the dynamics of suspension flows based on the knowledge acquired from the high-fidelity micro scale simulations and to use that knowledge to improve the meso scale model. We illustrate how we can benefit from this strategy for a fluidized bed, where we introduce a stochastic drag force model derived from micro-scale simulations to recover the proper level of particle fluctuations. Conversely, we discuss the limitations of such modelling tools such as their limited ability to capture lubrication forces and boundary layers in highly inertial flows. We suggest ways to overcome these limitations in order to enhance further the capabilities of the numerical models.
Directory of Open Access Journals (Sweden)
Alina Żogała
2014-01-01
Originality/value: This paper presents state of art in the field of coal gasification modeling using kinetic and computational fluid dynamics approach. The paper also presents own comparative analysis (concerned with mathematical formulation, input data and parameters, basic assumptions, obtained results etc. of the most important models of underground coal gasification.
A fully dynamic magneto-rheological fluid damper model
International Nuclear Information System (INIS)
Jiang, Z; Christenson, R E
2012-01-01
Control devices can be used to dissipate the energy of a civil structure subjected to dynamic loading, thus reducing structural damage and preventing failure. Semiactive control devices have received significant attention in recent years. The magneto-rheological (MR) fluid damper is a promising type of semiactive device for civil structures due to its mechanical simplicity, inherent stability, high dynamic range, large temperature operating range, robust performance, and low power requirements. The MR damper is intrinsically nonlinear and rate-dependent, both as a function of the displacement across the MR damper and the command current being supplied to the MR damper. As such, to develop control algorithms that take maximum advantage of the unique features of the MR damper, accurate models must be developed to describe its behavior for both displacement and current. In this paper, a new MR damper model that includes a model of the pulse-width modulated (PWM) power amplifier providing current to the damper, a proposed model of the time varying inductance of the large-scale 200 kN MR dampers coils and surrounding MR fluid—a dynamic behavior that is not typically modeled—and a hyperbolic tangent model of the controllable force behavior of the MR damper is presented. Validation experimental tests are conducted with two 200 kN large-scale MR dampers located at the Smart Structures Technology Laboratory (SSTL) at the University of Illinois at Urbana-Champaign and the Lehigh University Network for Earthquake Engineering Simulation (NEES) facility. Comparison with experimental test results for both prescribed motion and current and real-time hybrid simulation of semiactive control of the MR damper shows that the proposed MR damper model can accurately predict the fully dynamic behavior of the large-scale 200 kN MR damper. (paper)
A fluid-mechanical model of elastocapillary coalescence
Singh, Kiran
2014-03-25
© 2014 Cambridge University Press. We present a fluid-mechanical model of the coalescence of a number of elastic objects due to surface tension. We consider an array of spring-block elements separated by thin liquid films, whose dynamics are modelled using lubrication theory. With this simplified model of elastocapillary coalescence, we present the results of numerical simulations for a large number of elements, N = O(10^{4}). A linear stability analysis shows that pairwise coalescence is always the most unstable mode of deformation. However, the numerical simulations show that the cluster sizes actually produced by coalescence from a small white-noise perturbation have a distribution that depends on the relative strength of surface tension and elasticity, as measured by an elastocapillary number K. Both the maximum cluster size and the mean cluster size scale like K^{-1/2} for small K. An analytical solution for the response of the system to a localized perturbation shows that such perturbations generate propagating disturbance fronts, which leave behind \\'frozen-in\\' clusters of a predictable size that also depends on K. A good quantitative comparison between the cluster-size statistics from noisy perturbations and this \\'frozen-in\\' cluster size suggests that propagating fronts may play a crucial role in the dynamics of coalescence.
Magnetic Electron Filtering by Fluid Models for the PEGASES Thruster
Leray, Gary; Chabert, Pascal; Lichtenberg, Allan; Lieberman, Michael
2009-10-01
The PEGASES thruster produces thrust by creating positive and negative ions, which are then accelerated. To accelerate both type of ions, electrons need to be filtered, which is achieved by applying a static magnetic field strong enough to magnetize the electrons but not the ions. A 1D fluid model with three species (electrons, positive and negative ions) and an analytical model are proposed to understand this process for an oxygen plasma with p = 10 mTorr and B0 = 300 G [1]. The resulting ion-ion plasma formation in the transverse direction (perpendicular to the magnetic field) is demonstrated. It is shown that an additional electron/positive ion loss term is required. The solutions are evaluated for two main parameters: the ionizing fraction at the plasma center (x = 0), ne0/ng, and the electronegativity ratio at the center, α0=nn0/ne0. The effect of geometry and magnetic field amplitude are also discussed. [4pt] [1] Leray G, Chabert P, Lichtenberg A J and Lieberman M A, J. Phys. D: Appl. Phys., Plasma Modelling Cluster issue, to appear (2009)
Fluid-structure interactions models, analysis and finite elements
Richter, Thomas
2017-01-01
This book starts by introducing the fundamental concepts of mathematical continuum mechanics for fluids and solids and their coupling. Special attention is given to the derivation of variational formulations for the subproblems describing fluid- and solid-mechanics as well as the coupled fluid-structure interaction problem. Two monolithic formulations for fluid-structure interactions are described in detail: the well-established ALE formulation and the modern Fully Eulerian formulation, which can effectively deal with problems featuring large deformation and contact. Further, the book provides details on state-of-the-art discretization schemes for fluid- and solid-mechanics and considers the special needs of coupled problems with interface-tracking and interface-capturing techniques. Lastly, advanced topics like goal-oriented error estimation, multigrid solution and gradient-based optimization schemes are discussed in the context of fluid-structure interaction problems.
Numerical Modeling of Porous Structure of Biomaterial and Fluid Flowing Through Biomaterial
Institute of Scientific and Technical Information of China (English)
无
2005-01-01
A Cellular Automata model of simulating body fluid flowing into porous bioceramic implants generated with stochastic methods is described, of which main parameters and evolvement rule are determined in terms of flow behavior of body fluid in porous biomaterials. The model is implemented by GUI( Graphical User Interface) program in MATLAB, and the results of numerical modeling show that the body fluid percolation is related to the size of pores and porosity.
Mathematical modeling of fluid and solute transport in peritoneal dialysis
Waniewski, Jacek
2001-01-01
Optimization of peritoneal dialysis schedule and dialysis fluid composition needs, among others, methods for quantitative assessment of fluid and solute transport. Furthermore, an integrative quantitative description of physiological processes within the tissue, which contribute to the net transfer of fluid and solutes, is necessary for interpretation of the data and for predictions of the outcome of possible intervention into the peritoneal transport system. The current pro...
Fluid-Structure Interaction in Continuum Models of Bacterial Biofilms
Hicks, Jared A.
Bacterial biofilms are aggregates of cells that adhere to nearly any solid-fluid interface. While many have harmful effects, such as industrial damage and nosocomial infections, certain biofilm species are now generating renewable energy as the fundamental components of Microbial Fuel Cells (MFCs). In an MFC, bacteria consume organic waste and, as they respire, produce free electrons. To do so efficiently, the bacteria must operate at peak metabolic activity, and so require an ample supply of nutrients. But existing MFC systems face several nutrient delivery problems, including clogging and downstream depletion. Ameliorating these problems will require a better understanding of the interplay between structural development and the surrounding fluid flow. In addition to delivering nutrients that affect biofilm growth, the fluid also exerts stresses that cause erosion, detachment, and deformation. These structural changes, in turn, affect the flow and alter the nutrient distribution. To account for this feedback effect, I have developed a continuum model that couples the growth and deformation processes. My model augments an existing growth model with evolution equations derived from Morphoelasticity Theory, by showing that the growth tensor can be directly related to the biofilm velocity potential. This result helps overcome one of the major practical limitations of Morphoelasticity--there is no physical framework for specifying the growth tensor. Through further analysis of the growth tensor, I define the related adjugate and anisotropic growth tensors, which can be more meaningful measures of growth for some models. Under the assumption of small strain, I show that there exists a small correction to the biofilm growth velocity (the accommodation velocity) that represents the effect of the elastic response on the evolution of the biofilm shape. I derive a solvability condition for the accommodation velocity, and show that it leads to a novel evolution equation for
Advanced Fluid Reduced Order Models for Compressible Flow.
Energy Technology Data Exchange (ETDEWEB)
Tezaur, Irina Kalashnikova [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Fike, Jeffrey A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Carlberg, Kevin Thomas [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Barone, Matthew F. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Maddix, Danielle [Stanford Univ., CA (United States); Mussoni, Erin E. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Balajewicz, Maciej [Univ. of Illinois, Urbana-Champaign, IL (United States)
2017-09-01
This report summarizes fiscal year (FY) 2017 progress towards developing and implementing within the SPARC in-house finite volume flow solver advanced fluid reduced order models (ROMs) for compressible captive-carriage flow problems of interest to Sandia National Laboratories for the design and qualification of nuclear weapons components. The proposed projection-based model order reduction (MOR) approach, known as the Proper Orthogonal Decomposition (POD)/Least- Squares Petrov-Galerkin (LSPG) method, can substantially reduce the CPU-time requirement for these simulations, thereby enabling advanced analyses such as uncertainty quantification and de- sign optimization. Following a description of the project objectives and FY17 targets, we overview briefly the POD/LSPG approach to model reduction implemented within SPARC . We then study the viability of these ROMs for long-time predictive simulations in the context of a two-dimensional viscous laminar cavity problem, and describe some FY17 enhancements to the proposed model reduction methodology that led to ROMs with improved predictive capabilities. Also described in this report are some FY17 efforts pursued in parallel to the primary objective of determining whether the ROMs in SPARC are viable for the targeted application. These include the implemen- tation and verification of some higher-order finite volume discretization methods within SPARC (towards using the code to study the viability of ROMs on three-dimensional cavity problems) and a novel structure-preserving constrained POD/LSPG formulation that can improve the accuracy of projection-based reduced order models. We conclude the report by summarizing the key takeaways from our FY17 findings, and providing some perspectives for future work.
Fluid model of dc glow discharge with nonlocal ionization source term
International Nuclear Information System (INIS)
Rafatov, I R; Bogdanov, E A; Kudryavtsev, A A
2012-01-01
We developed and tested a simple hybrid model for a glow discharge, which incorporates nonlocal ionization by fast electrons into the fluid framework. Calculations have been performed for an argon gas. Comparison with the experimental data as well as with the hybrid (particle) and fluid modelling results demonstated good applicability of the proposed model.
Thermodynamic Property Model of Wide-Fluid Phase Propane
Directory of Open Access Journals (Sweden)
I Made Astina
2007-05-01
Full Text Available A new thermodynamic property model for propane is expressed in form of the Helmholtz free energy function. It consists of eight terms of the ideal-gas part and eighteen terms of the residual part. Accurate experimental data of fluid properties and theoretical approach from the intermolecular potential were simultaneously considered in the development to insure accuracy and to improve reliability of the equation of state over wide range of pressures and temperatures. Based on the state range of experimental data used in the model development, the validity range is judged from the triple-point of 85.48 K to temperature of 450 K and pressure up to 60 MPa. The uncertainties with respect to different properties are estimated to be 0.03% in ideal-gas isobaric specific heat, 0.2% in liquid phase density, 0.3% in gaseous phase density 1% in specific heats, 0.1% in vapor-pressure except at very low temperatures, 0.05% in saturated-liquid density, 0.02% in speed of sound of the gaseous phase and 1% in speed of sound of the liquid phase.
Study and discretization of kinetic models and fluid models at low Mach number
International Nuclear Information System (INIS)
Dellacherie, Stephane
2011-01-01
This thesis summarizes our work between 1995 and 2010. It concerns the analysis and the discretization of Fokker-Planck or semi-classical Boltzmann kinetic models and of Euler or Navier-Stokes fluid models at low Mach number. The studied Fokker-Planck equation models the collisions between ions and electrons in a hot plasma, and is here applied to the inertial confinement fusion. The studied semi-classical Boltzmann equations are of two types. The first one models the thermonuclear reaction between a deuterium ion and a tritium ion producing an α particle and a neutron particle, and is also in our case used to describe inertial confinement fusion. The second one (known as the Wang-Chang and Uhlenbeck equations) models the transitions between electronic quantified energy levels of uranium and iron atoms in the AVLIS isotopic separation process. The basic properties of these two Boltzmann equations are studied, and, for the Wang-Chang and Uhlenbeck equations, a kinetic-fluid coupling algorithm is proposed. This kinetic-fluid coupling algorithm incited us to study the relaxation concept for gas and immiscible fluids mixtures, and to underline connections with classical kinetic theory. Then, a diphasic low Mach number model without acoustic waves is proposed to model the deformation of the interface between two immiscible fluids induced by high heat transfers at low Mach number. In order to increase the accuracy of the results without increasing computational cost, an AMR algorithm is studied on a simplified interface deformation model. These low Mach number studies also incited us to analyse on cartesian meshes the inaccuracy at low Mach number of Godunov schemes. Finally, the LBM algorithm applied to the heat equation is justified
Multiphysical modelling of fluid transport through osteo-articular media
Directory of Open Access Journals (Sweden)
Thibault Lemaire
2010-03-01
Full Text Available In this study, a multiphysical description of fluid transport through osteo-articular porous media is presented. Adapted from the model of Moyne and Murad, which is intended to describe clayey materials behaviour, this multiscale modelling allows for the derivation of the macroscopic response of the tissue from microscopical information. First the model is described. At the pore scale, electrohydrodynamics equations governing the electrolyte movement are coupled with local electrostatics (Gauss-Poisson equation, and ionic transport equations. Using a change of variables and an asymptotic expansion method, the macroscopic description is carried out. Results of this model are used to show the importance of couplings effects on the mechanotransduction of compact bone remodelling.Neste estudo uma descrição multifísica do transporte de fluidos em meios porosos osteo articulares é apresentada. Adaptado a partir do modelo de Moyne e Murad proposto para descrever o comportamento de materiais argilosos a modelagem multiescala permite a derivação da resposta macroscópica do tecido a partir da informação microscópica. Na primeira parte o modelo é apresentado. Na escala do poro as equações da eletro-hidrodinâmica governantes do movimento dos eletrolitos são acopladas com a eletrostática local (equação de Gauss-Poisson e as equações de transporte iônico. Usando uma mudança de variáveis e o método de expansão assintótica a derivação macroscópica é conduzida. Resultados do modelo proposto são usados para salientar a importância dos efeitos de acoplamento sobre a transdução mecânica da remodelagem de ossos compactados.
Woodcock, T E; Woodcock, T M
2012-03-01
I.V. fluid therapy does not result in the extracellular volume distribution expected from Starling's original model of semi-permeable capillaries subject to hydrostatic and oncotic pressure gradients within the extracellular fluid. Fluid therapy to support the circulation relies on applying a physiological paradigm that better explains clinical and research observations. The revised Starling equation based on recent research considers the contributions of the endothelial glycocalyx layer (EGL), the endothelial basement membrane, and the extracellular matrix. The characteristics of capillaries in various tissues are reviewed and some clinical corollaries considered. The oncotic pressure difference across the EGL opposes, but does not reverse, the filtration rate (the 'no absorption' rule) and is an important feature of the revised paradigm and highlights the limitations of attempting to prevent or treat oedema by transfusing colloids. Filtered fluid returns to the circulation as lymph. The EGL excludes larger molecules and occupies a substantial volume of the intravascular space and therefore requires a new interpretation of dilution studies of blood volume and the speculation that protection or restoration of the EGL might be an important therapeutic goal. An explanation for the phenomenon of context sensitivity of fluid volume kinetics is offered, and the proposal that crystalloid resuscitation from low capillary pressures is rational. Any potential advantage of plasma or plasma substitutes over crystalloids for volume expansion only manifests itself at higher capillary pressures.
Cellular-automation fluids: A model for flow in porous media
International Nuclear Information System (INIS)
Rothman, D.H.
1987-01-01
Because the intrinsic inhomogeneity of porous media makes the application of proper boundary conditions difficult, fluid flow through microgeometric models has typically been achieved with idealized arrays of geometrically simple pores, throats, and cracks. The author proposes here an attractive alternative, capable of freely and accurately modeling fluid flow in grossly irregular geometries. This new method numerically solves the Navier-Stokes equations using the cellular-automation fluid model introduced by Frisch, Hasslacher, and Pomeau. The cellular-automation fluid is extraordinarily simple - particles of unit mass traveling with unit velocity reside on a triangular lattice and obey elementary collisions rules - but capable of modeling much of the rich complexity of real fluid flow. The author shows how cellular-automation fluids are applied to the study of porous media. In particular, he discusses issues of scale on the cellular-automation lattice and present the results of 2-D simulations, including numerical estimation of permeability and verification of Darcy's law
Invasion percolation of single component, multiphase fluids with lattice Boltzmann models
International Nuclear Information System (INIS)
Sukop, M.C.; Or, Dani
2003-01-01
Application of the lattice Boltzmann method (LBM) to invasion percolation of single component multiphase fluids in porous media offers an opportunity for more realistic modeling of the configurations and dynamics of liquid/vapor and liquid/solid interfaces. The complex geometry of connected paths in standard invasion percolation models arises solely from the spatial arrangement of simple elements on a lattice. In reality, fluid interfaces and connectivity in porous media are naturally controlled by the details of the pore geometry, its dynamic interaction with the fluid, and the ambient fluid potential. The multiphase LBM approach admits realistic pore geometry derived from imaging techniques and incorporation of realistic hydrodynamics into invasion percolation models
International Nuclear Information System (INIS)
Alaswad, A.; Olabi, A.G.; Benyounis, K.Y.
2011-01-01
Tube hydroforming (THF) is a type of unconventional metal forming process in which high fluid pressure and axial feed are used to deform a tube blank in the desired shape. Bi-layered tube hydroforming is suitable to produce bi-layered joints to be used in special applications such as aerospace, oil production and nuclear power plants. In this work, a finite element study along with response surface methodology (RSM) for design of experiment (DOE) has been used to construct models for three responses namely: bulge height, thickness reduction, and wrinkle height as a function of geometrical factors for X shape bi-layered tube hydroforming. A finite element model was built and experimentally validated. The models developed using finite element analysis (FEA) and RSM was found to be educated. The factors effect and their interactions on the three responses were determined and discussed. Such integration was proved to be a successful technique that can be used to predict the geometry of the hydroformed part.
Czech Academy of Sciences Publication Activity Database
Melicherčík, Milan; Holúbeková, A.; Hianik, T.; Urban, J.
2013-01-01
Roč. 19, č. 11 (2013), s. 4723-4730 ISSN 1610-2940 Institutional support: RVO:67179843 Keywords : Bilayer lipid membranes * Helical peptides * Molecular dynamics simulations * Phase transitions Subject RIV: BO - Biophysics Impact factor: 1.867, year: 2013
Coexistence of a two-states organization for a cell-penetrating peptide in lipid bilayer.
Plénat, Thomas; Boichot, Sylvie; Dosset, Patrice; Milhiet, Pierre-Emmanuel; Le Grimellec, Christian
2005-12-01
Primary amphipathic cell-penetrating peptides transport cargoes across cell membranes with high efficiency and low lytic activity. These primary amphipathic peptides were previously shown to form aggregates or supramolecular structures in mixed lipid-peptide monolayers, but their behavior in lipid bilayers remains to be characterized. Using atomic force microscopy, we have examined the interactions of P(alpha), a primary amphipathic cell-penetrating peptide which remains alpha-helical whatever the environment, with dipalmitoylphosphatidylcholine (DPPC) bilayers. Addition of P(alpha) at concentrations up to 5 mol % markedly modified the supported bilayers topography. Long and thin filaments lying flat at the membrane surface coexisted with deeply embedded peptides which induced a local thinning of the bilayer. On the other hand, addition of P(alpha) only exerted very limited effects on the corresponding liposome's bilayer physical state, as estimated from differential scanning calorimetry and diphenylhexatriene fluorescence anisotropy experiments. The use of a gel-fluid phase separated supported bilayers made of a dioleoylphosphatidylcholine/dipalmitoylphosphatidylcholine mixture confirmed both the existence of long filaments, which at low peptide concentration were preferentially localized in the fluid phase domains and the membrane disorganizing effects of 5 mol % P(alpha). The simultaneous two-states organization of P(alpha), at the membrane surface and deeply embedded in the bilayer, may be involved in the transmembrane carrier function of this primary amphipathic peptide.
International Nuclear Information System (INIS)
Enaux, C.
2007-11-01
The simulation of indirect laser implosion requires an accurate knowledge of the inter-penetration of the laser target materials turned into plasma. This work is devoted to the study of a multi-velocity multi-fluid model recently proposed by Scannapieco and Cheng (SC) to describe the inter-penetration of miscible fluids. In this document, we begin with presenting the SC model in the context of miscible fluids flow modelling. Afterwards, the mathematical analysis of the model is carried out (study of the hyperbolicity, existence of a strictly convex mathematical entropy, asymptotic analysis and diffusion limit). As a conclusion the problem is well set. Then, we focus on the problem of numerical resolution of systems of conservation laws with a relaxation source term, because SC model belongs to this class. The main difficulty of this task is to capture on a coarse grid the asymptotic behaviour of the system when the source term is stiff. The main contribution of this work lies in the proposition of a new technique, allowing us to construct a Lagrangian numerical flux taking into account the presence of the source term. This technique is applied first on the model-problem of a one-dimensional Euler system with friction, and then on the multi-fluid SC model. In both cases, we prove that the new scheme is asymptotic-preserving and entropic under a CFL-like condition. The two-dimensional extension of the scheme is done by using a standard alternate directions method. Some numerical results highlight the contribution of the new flux, compared with a standard Lagrange plus Remap scheme where the source term is processed using an operator splitting. (author)
Vortex dynamics in the two-fluid model
International Nuclear Information System (INIS)
Thouless, D. J.; Geller, M. R.; Vinen, W. F.; Fortin, J.-Y.; Rhee, S. W.
2001-01-01
We have used two-fluid dynamics to study the discrepancy between the work of Thouless, Ao, and Niu (TAN) and that of Iordanskii. In TAN no transverse force on a vortex due to normal fluid flow was found, whereas the earlier work found a transverse force proportional to normal fluid velocity u n and normal fluid density ρ n . We have linearized the time-independent two-fluid equations about the exact solution for a vortex, and find three solutions that are important in the region far from the vortex. Uniform superfluid flow gives rise to the usual superfluid Magnus force. Uniform normal fluid flow gives rise to no forces in the linear region, but does not satisfy reasonable boundary conditions at short distances. A logarithmically increasing normal fluid flow gives a viscous force. As in classical hydrodynamics, and as in the early work of Hall and Vinen, this logarithmic increase must be cut off by nonlinear effects at large distances; this gives a viscous force proportional to u n /lnu n , and a transverse contribution that goes like u n /(lnu n ) 2 , even in the absence of an explicit Iordanskii force. In the limit u n ->0 the TAN result is obtained, but at nonzero u n there are important corrections that were not found in TAN. We argue that the Magnus force in a superfluid at nonzero temperature is an example of a topological relation for which finite-size corrections may be large
Predicting proton titration in cationic micelle and bilayer environments
Morrow, Brian H.; Eike, David M.; Murch, Bruce P.; Koenig, Peter H.; Shen, Jana K.
2014-08-01
Knowledge of the protonation behavior of pH-sensitive molecules in micelles and bilayers has significant implications in consumer product development and biomedical applications. However, the calculation of pKa's in such environments proves challenging using traditional structure-based calculations. Here we apply all-atom constant pH molecular dynamics with explicit ions and titratable water to calculate the pKa of a fatty acid molecule in a micelle of dodecyl trimethylammonium chloride and liquid as well as gel-phase bilayers of diethyl ester dimethylammonium chloride. Interestingly, the pKa of the fatty acid in the gel bilayer is 5.4, 0.4 units lower than that in the analogous liquid bilayer or micelle, despite the fact that the protonated carboxylic group is significantly more desolvated in the gel bilayer. This work illustrates the capability of all-atom constant pH molecular dynamics in capturing the delicate balance in the free energies of desolvation and Coulombic interactions. It also shows the importance of the explicit treatment of ions in sampling the protonation states. The ability to model dynamics of pH-responsive substrates in a bilayer environment is useful for improving fabric care products as well as our understanding of the side effects of anti-inflammatory drugs.
Predicting proton titration in cationic micelle and bilayer environments
Energy Technology Data Exchange (ETDEWEB)
Morrow, Brian H.; Shen, Jana K. [Department of Pharmaceutical Sciences, University of Maryland, Baltimore, Maryland 21201 (United States); Eike, David M.; Murch, Bruce P.; Koenig, Peter H. [Computational Chemistry, Modeling and Simulation GCO, Procter and Gamble, Cincinnati, Ohio 45201 (United States)
2014-08-28
Knowledge of the protonation behavior of pH-sensitive molecules in micelles and bilayers has significant implications in consumer product development and biomedical applications. However, the calculation of pK{sub a}’s in such environments proves challenging using traditional structure-based calculations. Here we apply all-atom constant pH molecular dynamics with explicit ions and titratable water to calculate the pK{sub a} of a fatty acid molecule in a micelle of dodecyl trimethylammonium chloride and liquid as well as gel-phase bilayers of diethyl ester dimethylammonium chloride. Interestingly, the pK{sub a} of the fatty acid in the gel bilayer is 5.4, 0.4 units lower than that in the analogous liquid bilayer or micelle, despite the fact that the protonated carboxylic group is significantly more desolvated in the gel bilayer. This work illustrates the capability of all-atom constant pH molecular dynamics in capturing the delicate balance in the free energies of desolvation and Coulombic interactions. It also shows the importance of the explicit treatment of ions in sampling the protonation states. The ability to model dynamics of pH-responsive substrates in a bilayer environment is useful for improving fabric care products as well as our understanding of the side effects of anti-inflammatory drugs.
Kantowski-Sachs Einstein-æther perfect fluid models
Energy Technology Data Exchange (ETDEWEB)
Latta, Joey [Department of Mathematics and Statistics, Dalhousie University, Halifax, Nova Scotia, B3H 3J5 (Canada); Leon, Genly [Instituto de Física, Pontificia Universidad de Católica de Valparaíso, Casilla 4950, Valparaíso (Chile); Paliathanasis, Andronikos, E-mail: lattaj@mathstat.dal.ca, E-mail: genly.leon@pucv.cl, E-mail: anpaliat@phys.uoa.gr [Instituto de Ciencias Físicas y Matemáticas, Universidad Austral de Chile, Valdivia (Chile)
2016-11-01
We investigate Kantowski-Sachs models in Einstein-æ ther theory with a perfect fluid source using the singularity analysis to prove the integrability of the field equations and dynamical system tools to study the evolution. We find an inflationary source at early times, and an inflationary sink at late times, for a wide region in the parameter space. The results by A.A. Coley, G. Leon, P. Sandin and J. Latta ( JCAP 12 (2015) 010), are then re-obtained as particular cases. Additionally, we select other values for the non-GR parameters which are consistent with current constraints, getting a very rich phenomenology. In particular, we find solutions with infinite shear, zero curvature, and infinite matter energy density in comparison with the Hubble scalar. We also have stiff-like future attractors, anisotropic late-time attractors, or both, in some special cases. Such results are developed analytically, and then verified by numerics. Finally, the physical interpretation of the new critical points is discussed.
International Nuclear Information System (INIS)
Yoon, Kyung Ho; Kim, Jae Yong; Lee, Kang Hee; Lee, Young Ho; Kim, Hyung Kyu
2009-07-01
Tube bundle structures within a Boiler or heat exchanger are laid the fluid-structure, thermal-structure and fluid-thermal-structure coupled boundary condition. In these complicated boundary conditions, Fluid-structure interaction (FSI) occurs when fluid flow causes deformation of the structure. This deformation, in turn, changes the boundary conditions for the fluid flow. The structural analysis have been executed as follows. First of all, divide the fluid and structural analysis discipline, and then independently analyzed each other. However, the fluid dynamic force effect the behavior of the structure, and the vibration amplitude of the structure to fluid. FSI analysis model was separately created fluid and structure model, and then defined the fsi boundary condition, and simultaneously analyzed in one domain. The analysis results were compared with those of the experimental method for validating the analysis model. Flow-induced vibration test was executed with single rod configuration. The vibration amplitudes of a fuel rod were measured by the laser vibro-meter system in x and y-direction. The analyses results were not closely with the test data, but the trend was very similar with the test result. In fsi coupled analysis case, the turbulent model was very important with the reliability of the accuracy of the analysis model. Therefore, the analysis model will be needed to further study
International Nuclear Information System (INIS)
Destrigneville, Christine
1991-01-01
The alteration processes occurring in the volcanics of Mururoa have been studied using petrological data on secondary minerals, chemical analyses of the interstitial fluids and isotopic analyses on both minerals and fluids. Chemical and isotopic exchanges were first modelled, then thermodynamical modeling characterized the chemical evolution during the alteration of the secondary assemblage and of the fluid. The main secondary sequences which have been observed in Mururoa volcanics result from the alteration occurring during the lavas setting. Two different processes have been evidenced. The first one is the deuteric alteration with the CO_2-rich magmatic fluid exsolved from the magma and trapped in the vesicles and the olivine microcracks of the lava intrusions. This alteration in a closed system is dominated by the solid phases when the CO_2 molar fraction in the fluid is higher than 0.25. The second process is the alteration of the lavas by seawater or a meteoric fluid. The basaltic flows present alteration assemblages composed of clay minerals and zeolites whose chemical composition has been forced by the fluid composition. Shallowness emissions of lavas result in completely argillized levels. The present interstitial fluids chemistry result from the percolation of seawater in the volcano. In the argillized levels the fluids have interacted with the clay minerals and their chemical compositions have been modified. The important chemical changes in the present interstitial fluids show that the present alteration in the volcano is higher than the fluids circulation. (author) [fr
Hamiltonian models for the Madelung fluid and generalized Langevin equations
International Nuclear Information System (INIS)
Nonnenmacher, T.F.
1985-01-01
We present a Hamiltonian formulation of some type of an 'electromagnetic' Madelung fluid leading to a fluid mechanics interpretation of the Aharonov-Bohm effect and to a subsidary condition to be required in order to make the correspondence between Schroedinger's quantum mechanics and Madelung's fluid mechanics unique. Then we discuss some problems related with the Brownian oscillator. Our aim is to start out with a Hamiltonian for the composite system with surrounding heat bath) and to finally arrive at a stochastic differential equation with completely determined statistical properties. (orig./HSI)
Holland, T.A.; Bodde, E.W.H.; Baggett, L.S.; Tabata, Y.; Mikos, A.G.; Jansen, J.A.
2005-01-01
In this study, hydrogel scaffolds, based on the polymer oligo(poly(ethylene glycol) fumarate) (OPF), were implanted into osteochondral defects in the rabbit model. Scaffolds consisted of two layers-a bottom, bone forming layer and a top, cartilage forming layer. Three scaffold formulations were
Collisional transport across the magnetic field in drift-fluid models
DEFF Research Database (Denmark)
Madsen, Jens; Naulin, Volker; Nielsen, Anders Henry
2016-01-01
Drift ordered fluid models are widely applied in studies of low-frequency turbulence in the edge and scrape-off layer regions of magnetically confined plasmas. Here, we show how collisional transport across the magnetic field is self-consistently incorporated into drift-fluid models without...
Smoothed particle hydrodynamics model for phase separating fluid mixtures. I. General equations
Thieulot, C; Janssen, LPBM; Espanol, P
We present a thermodynamically consistent discrete fluid particle model for the simulation of a recently proposed set of hydrodynamic equations for a phase separating van der Waals fluid mixture [P. Espanol and C.A.P. Thieulot, J. Chem. Phys. 118, 9109 (2003)]. The discrete model is formulated by
D-string fluid in conifold, I: Topological gauge model
International Nuclear Information System (INIS)
Ahl Laamara, R.; Drissi, L.B.; Saidi, E.H.
2006-01-01
Motivated by similarities between quantum Hall systems a la Susskind and aspects of topological string theory on conifold as well as results obtained in [E.H. Saidi, Topological SL(2) gauge theory on conifold and noncommutative geometry, hep-th/0601020], we study the dynamics of D-string fluids running in deformed conifold in presence of a strong and constant RR background B-field. We first introduce the basis of D-string system in fluid approximation and then derive the holomorphic noncommutative gauge invariant field action describing its dynamics in conifold. This study may be also viewed as embedding Susskind description for Laughlin liquid in type IIB string theory. FQH systems on real manifolds RxS 2 and S 3 are shown to be recovered by restricting conifold to its Lagrangian sub-manifolds. Aspects of quantum behaviour of the string fluid are discussed. ring fluid are discussed
International Nuclear Information System (INIS)
Elfelsoufi, Z.; Azrar, L.
2016-01-01
In this paper, a mathematical modeling of flutter and divergence analyses of fluid conveying pipes based on integral equation formulations is presented. Dynamic stability problems related to fluid pressure, velocity, tension, topography slope and viscoelastic supports and foundations are formulated. A methodological approach is presented and the required matrices, associated to the influencing fluid and pipe parameters, are explicitly given. Internal discretizations are used allowing to investigate the deformation, the bending moment, slope and shear force at internal points. Velocity–frequency, pressure-frequency and tension-frequency curves are analyzed for various fluid parameters and internal elastic supports. Critical values of divergence and flutter behaviors with respect to various fluid parameters are investigated. This model is general and allows the study of dynamic stability of tubes crossed by stationary and instationary fluid on various types of supports. Accurate predictions can be obtained and are of particular interest for a better performance and for an optimal safety of piping system installations. - Highlights: • Modeling the flutter and divergence of fluid conveying pipes based on RBF. • Dynamic analysis of a fluid conveying pipe with generalized boundary conditions. • Considered parameters fluid are the pressure, tension, slopes topography, velocity. • Internal support increase the critical velocity value. • This methodologies determine the fluid parameters effects.
Multicomponent ion transport in a mono and bilayer cation-exchange membrane at high current density
Moshtari Khah, S.; Oppers, N.A.W.; de Groot, M.T.; Keurentjes, J.T.F.; Schouten, J.C.; van der Schaaf, J.
2017-01-01
This work describes a model for bilayer cation-exchange membranes used in the chlor-alkali process. The ion transport inside the membrane is modeled with the Nernst–Planck equation. A logistic function is used at the boundary between the two layers of the bilayer membrane to describe the change in
Statistical properties of three-dimensional two-fluid plasma model
Energy Technology Data Exchange (ETDEWEB)
Qaisrani, M. Hasnain [State Key Laboratory of Advanced Electromagnetic Engineering and Technology, Huazhong University of Science and Technology, WuHan, Hubei 430074 (China); Xia, ZhenWei [Department of Modern Physics, University of Science and Technology of China, Hefei 230026 (China); Zou, Dandan, E-mail: ddzou@hust.edu.cn [State Key Laboratory of Advanced Electromagnetic Engineering and Technology, Huazhong University of Science and Technology, WuHan, Hubei 430074 (China); School of Physics and Optoelectronic Engineering, Yangtze University, Jingzhou 434023 (China)
2015-09-15
The nonlinear dynamics of incompressible non-dissipative two-fluid plasma model is investigated through classical Gibbs ensemble methods. Liouville's theorem of phase space for each wave number is proved, and the absolute equilibrium spectra for Galerkin truncated two-fluid model are calculated. In two-fluid theory, the equilibrium is built on the conservation of three quadratic invariants: the total energy and the self-helicities for ions and electrons fluid, respectively. The implications of statistic equilibrium spectra with arbitrary ratios of conserved invariants are discussed.
Lipid bilayer regulation of membrane protein function: gramicidin channels as molecular force probes
DEFF Research Database (Denmark)
Lundbæk, Jens August; Collingwood, S.A.; Ingolfsson, H.I.
2010-01-01
with collective physical properties (e.g. thickness, intrinsic monolayer curvature or elastic moduli). Studies in physico-chemical model systems have demonstrated that changes in bilayer physical properties can regulate membrane protein function by altering the energetic cost of the bilayer deformation associated...... with a protein conformational change. This type of regulation is well characterized, and its mechanistic elucidation is an interdisciplinary field bordering on physics, chemistry and biology. Changes in lipid composition that alter bilayer physical properties (including cholesterol, polyunsaturated fatty acids...... channels as molecular force probes for studying this mechanism, with a unique ability to discriminate between consequences of changes in monolayer curvature and bilayer elastic moduli....
Directory of Open Access Journals (Sweden)
Jian Zhou
2016-09-01
Full Text Available Hydraulic fracturing is a useful tool for enhancing rock mass permeability for shale gas development, enhanced geothermal systems, and geological carbon sequestration by the high-pressure injection of a fracturing fluid into tight reservoir rocks. Although significant advances have been made in hydraulic fracturing theory, experiments, and numerical modeling, when it comes to the complexity of geological conditions knowledge is still limited. Mechanisms of fluid injection-induced fracture initiation and propagation should be better understood to take full advantage of hydraulic fracturing. This paper presents the development and application of discrete particle modeling based on two-dimensional particle flow code (PFC2D. Firstly, it is shown that the modeled value of the breakdown pressure for the hydraulic fracturing process is approximately equal to analytically calculated values under varied in situ stress conditions. Furthermore, a series of simulations for hydraulic fracturing in competent rock was performed to examine the influence of the in situ stress ratio, fluid injection rate, and fluid viscosity on the borehole pressure history, the geometry of hydraulic fractures, and the pore-pressure field, respectively. It was found that the hydraulic fractures in an isotropic medium always propagate parallel to the orientation of the maximum principal stress. When a high fluid injection rate is used, higher breakdown pressure is needed for fracture propagation and complex geometries of fractures can develop. When a low viscosity fluid is used, fluid can more easily penetrate from the borehole into the surrounding rock, which causes a reduction of the effective stress and leads to a lower breakdown pressure. Moreover, the geometry of the fractures is not particularly sensitive to the fluid viscosity in the approximate isotropic model.
Development of the tube bundle structure for fluid-structure interaction analysis model
International Nuclear Information System (INIS)
Yoon, Kyung Ho; Kim, Jae Yong
2010-02-01
Tube bundle structures within a Boiler or heat exchanger are laid the fluid-structure, thermal-structure and fluid-thermal-structure coupled boundary condition. In these complicated boundary conditions, Fluid-structure interaction (FSI) occurs when fluid flow causes deformation of the structure. This deformation, in turn, changes the boundary conditions for the fluid flow. The structural analysis discipline, and then independently analyzed each other. However, the fluid dynamic force effect the behavior of the structure, and the vibration amplitude of the structure to fluid. FSI analysis model was separately created fluid and structure model, and then defined the fsi boundary condition, and simultaneously analyzed in one domain. The analysis results were compared with those of the experimental method for validating the analysis model. Flow-induced vibration test was executed with single rod configuration. The vibration amplitudes of a fuel rod were measured by the laser vibro-meter system in x and y-direction. The analyses results were not closely with the test data, but the trend was very similar with the test result. In fsi coupled analysis case, the turbulent model was very important with the reliability of the accuracy of the analysis model. Therefore, the analysis model will be needed to further study
Validation of model predictions of pore-scale fluid distributions during two-phase flow
Bultreys, Tom; Lin, Qingyang; Gao, Ying; Raeini, Ali Q.; AlRatrout, Ahmed; Bijeljic, Branko; Blunt, Martin J.
2018-05-01
Pore-scale two-phase flow modeling is an important technology to study a rock's relative permeability behavior. To investigate if these models are predictive, the calculated pore-scale fluid distributions which determine the relative permeability need to be validated. In this work, we introduce a methodology to quantitatively compare models to experimental fluid distributions in flow experiments visualized with microcomputed tomography. First, we analyzed five repeated drainage-imbibition experiments on a single sample. In these experiments, the exact fluid distributions were not fully repeatable on a pore-by-pore basis, while the global properties of the fluid distribution were. Then two fractional flow experiments were used to validate a quasistatic pore network model. The model correctly predicted the fluid present in more than 75% of pores and throats in drainage and imbibition. To quantify what this means for the relevant global properties of the fluid distribution, we compare the main flow paths and the connectivity across the different pore sizes in the modeled and experimental fluid distributions. These essential topology characteristics matched well for drainage simulations, but not for imbibition. This suggests that the pore-filling rules in the network model we used need to be improved to make reliable predictions of imbibition. The presented analysis illustrates the potential of our methodology to systematically and robustly test two-phase flow models to aid in model development and calibration.
Modeling of magnetorheological fluid in quasi-static squeeze flow mode
Horak, Wojciech
2018-06-01
This work presents a new nonlinear model to describe MR fluid behavior in the squeeze flow mode. The basis for deriving the model were the principles of continuum mechanics and the theory of tensor transformation. The analyzed case concerned quasi-static squeeze with a constant area, between two parallel plates with non-slip boundary conditions. The developed model takes into account the rheological properties or MR fluids as a viscoplastic material for which yield stress increases due to compression. The model also takes into account the formation of normal force in the MR fluid as a result of the magnetic field impact. Moreover, a new parameter has been introduced which characterizes the behavior of MR fluid subjected to compression. The proposed model has been experimentally validated and the obtained results suggest that the assumptions made in the model development are reasonable, as good model compatibility with the experiments was obtained.
Rotating cylindrically symmetric Kaluza-Klein fluid model
Indian Academy of Sciences (India)
theory the spacetime of the universe is expected to be five dimensional in the early stages of its evolution, the ... fluids in the context of general relativity received considerable attention. Krasinski ... Some specific solutions of physical relevance along with their features of physical .... where « is arbitrary constant of integration.
Numerical Modeling of Fluid Flow in the Tape Casting Process
DEFF Research Database (Denmark)
Jabbari, Masoud; Hattel, Jesper Henri
2011-01-01
The flow behavior of the fluid in the tape casting process is analyzed. A simple geometry is assumed for running the numerical calculations in ANSYS Fluent and the main parameters are expressed in non-dimensional form. The effect of different values for substrate velocity and pressure force...
MATHEMATICAL MODELING OF SELF-EXCITED VIBRATION OF PIPES CONTAINING MOBILE BOILING FLUID CLOTS
Directory of Open Access Journals (Sweden)
Yevgeniy Tolbatov
2015-06-01
Full Text Available Numerical modeling dynamic behavior of a pipe containing inner nonhomogeneous flows of a boiling fluid has been carried out. The system vibrations at different values of the parameters of the flow nonhomogeneity and its velocity are observed. The possibility of forming stable and unstable flows depending on the character ofnonhomogeneity and the velocity of fluid clots has been found.
Fluid dynamics of moving fish in a two-dimensional multiparticle collision dynamics model
Reid, Daniel A. P.; Hildenbrandt, H.; Hemelrijk, C. K.; Padding, J.T.
2012-01-01
The fluid dynamics of animal locomotion, such as that of an undulating fish, are of great interest to both biologists and engineers. However, experimentally studying these fluid dynamics is difficult and time consuming. Model studies can be of great help because of their simpler and more detailed
Compound waves in a higher order nonlinear model of thermoviscous fluids
DEFF Research Database (Denmark)
Rønne Rasmussen, Anders; Sørensen, Mads Peter; Gaididei, Yuri B.
2016-01-01
A generalized traveling wave ansatz is used to investigate compound shock waves in a higher order nonlinear model of a thermoviscous fluid. The fluid velocity potential is written as a traveling wave plus a linear function of space and time. The latter offers the possibility of predicting...
Deriving a blood-mimicking fluid for particle image velocimetry in Sylgard-184 vascular models.
Yousif, Majid Y; Holdsworth, David W; Poepping, Tamie L
2009-01-01
A new blood-mimicking fluid (BMF) has been developed for particle image velocimetry (PIV), which enables flow studies in vascular models (phantoms). A major difficulty in PIV that affects measurement accuracy is the refraction and distortion of light passing through the interface between the model and the fluid, due to the difference in refractive index (n) between the two materials. The problem can be eliminated by using a fluid with a refractive index matching that of the model. Such fluids are not commonly available, especially for vascular research where the fluid should also have a viscosity similar to human blood. In this work, a blood-mimicking fluid, composed of water (47.38% by weight), glycerol (36.94% by weight) and sodium iodide salt (15.68% by weight), was developed for compatibility with our silicone (Sylgard 184; n = 1.414) phantoms. The fluid exhibits a dynamic viscosity of 4.31+/-0.03 cP which lies within the range of human blood viscosity (4.4+/-0.6 cP). Both refractive index and viscosity were attained at 22.2+/-0.2 degrees C, which is a feasible room temperature, thus eliminating the need for a temperature-control system. The fluid will be used to study hemodynamics in vascular flow models fabricated from Sylgard 184.
Askarinejad, A.; Philia Boru Sitanggang, Anggi; Schenkeveld, Ferry; Lee, W.; Lee, J-S.; Kim, H-K.; kim, D-S.
The common practice in centrifuge modelling of dynamic processes is to use high-viscosity pore fluids to unify the time scaling factors for the generation and dissipation of pore pressures. This paper focuses on the effects of the density and viscosity of the pore fluid on the behaviour of an
DEFF Research Database (Denmark)
Poursoroush, Asma; Sperotto, Maria Maddalena; Laradji, Mohamed
2017-01-01
Solid-supported lipid bilayers are utilized by experimental scientists as models for biological membranes because of their stability. However, compared to free standing bilayers, their close proximity to the substrate may affect their phase behavior. As this is still poorly understood, and few co...
A Modelling Approach to Multibody Dynamics of Fluid Power Machinery with Hydrodynamic Lubrication
DEFF Research Database (Denmark)
Johansen, Per; Rømer, Daniel; Andersen, Torben Ole
2013-01-01
The efficiency potential of the digital displacement technology and the increasing interest in hydraulic transmissions in wind and wave energy applications has created an incentive for development of high efficiency fluid power machinery. Modelling and analysis of fluid power machinery loss...... mechanisms is necessary in order to accommodate this demand. At present fully coupled thermo-elastic models for various tribological interfaces has been presented. However, in order to analyse the interaction between tribological interfaces in fluid power pumps and motors, these interface models needs...
Energy Technology Data Exchange (ETDEWEB)
Osdal, Bard; Granli, John Reidar
1998-12-31
Seismic lithology and fluid phase prediction (LFP) is becoming an important part of seismic interpretation, and can contribute significantly to risk reduction prior to drilling. In this presentation there is focused on quantitative interpretation of the amplitudes in a 2-D dataset, with respect to presence of hydrocarbons. Different aspect of the working producer, like data quality (well data and seismic data), rock modelling and seismic modelling will be illustrated. In the present study only one well has been used for calibration and to investigate the seismic response for different fluid and lithology scenarios. The rock modelling included evaluation of seismic parameter effect for different fluid and porosities. 1 ref., 4 figs.
Magnetic properties of a doped graphene-like bilayer
Energy Technology Data Exchange (ETDEWEB)
Guo, An-Bang [School of Science, Shenyang University of Technology, Shenyang 110870 (China); Jiang, Wei, E-mail: weijiang.sut.edu@gmail.com [School of Science, Shenyang University of Technology, Shenyang 110870 (China); Zhang, Na [Shenyang Normal University, Shenyang 110034 (China)
2017-05-15
A doped graphene-like bilayer is described using a four-sublattice Heisenberg model both ferromagnetic and antiferrimagnetic couplings. The magnetic properties of the bilayer system are studied using the Heisenberg model, retarded Green's function and the linear spin-wave approximation. The spin-wave spectra, energy gap, and the magnetization and quantum fluctuation of the system at the ground state are calculated with various intra- and interlayer couplings. The results indicate that the effect of antiferromagnetic exchange coupling on the magnetic properties of the system is significant. Magnetizations at low temperature show intersection points due to the quantum effects.
Theory of passive proton conductance in lipid bilayers.
Nagle, J F
1987-10-01
The large permeability of lipid bilayers to protons compared to other small ions calls for a special proton transport mechanism. At the present time, only mechanisms involving transient hydrogen-bonded chains of water can account for the experimental result that the conductance is nearly independent of pH. Three models involving transient hydrogen-bonded chains are discussed, including an outline of the kinetic calculations that lead to predictions of current versus voltage drop and current versus pH differences. These calculations can be compared to experiment to determine which, if any, of these models pertains to lipid bilayers.
Energy Technology Data Exchange (ETDEWEB)
Lenné, T.; Kent, B.; Koster, K.L.; Garvey, C.J.; Bryant, G. (ANSTO); (USD); (ANU); (RMIT)
2012-02-06
Small angle X-ray scattering is used to study the effects of sugars on membranes during dehydration. Previous work has shown that the bilayer and chain-chain repeat spacings of DPPC bilayers are relatively unaffected by the presence of sugars. In this work we present a preliminary analysis of the electron density profiles of DPPC in the presence of sugars at low hydration. The difficulties of determining the correct phasing are discussed. Sugars and other small solutes have been shown to have an important role in improving the tolerance of a range of species to desiccation and freezing. In particular it has been shown that sugars can stabilize membranes in the fluid membrane phase during dehydration, and in the fully dehydrated state. Equivalently, at a particular hydration, the presence of sugars lowers the transition temperature between the fluid and gel phases. There are two competing models for explaining the effects of sugars on membrane phase transition temperatures. One, designated the water replacement hypothesis (WRH) states that sugars hydrogen bond to phospholipid headgroups, thus hindering the fluid-gel phase transition. One version of this model suggests that certain sugars (such as trehalose) achieve the measured effects by inserting between the phospholipid head groups. An alternative model explains the observed effects of sugars in terms of the sugars effect on the hydration repulsion that develops between opposing membranes during dehydration. The hydration repulsion leads to a lateral compressive stress in the bilayer which squeezes adjacent lipids more closely together, resulting in a transition to the gel phase. When sugars are present, their osmotic and volumetric effects reduce the hydration repulsion, reduce the compressive stress in the membranes, and therefore tend to maintain the average lateral separation between lipids. This model is called the hydration forces explanation (HFE). We recently showed that neither mono- nor di
Cosmological models described by a mixture of van der Waals fluid and dark energy
International Nuclear Information System (INIS)
Kremer, G.M.
2003-01-01
The Universe is modeled as a binary mixture whose constituents are described by a van der Waals fluid and by a dark energy density. The dark energy density is considered either as quintessence or as the Chaplygin gas. The irreversible processes concerning the energy transfer between the van der Waals fluid and the gravitational field are taken into account. This model can simulate (a) an inflationary period where the acceleration grows exponentially and the van der Waals fluid behaves like an inflaton, (b) an accelerated period where the acceleration is positive but it decreases and tends to zero whereas the energy density of the van der Waals fluid decays, (c) a decelerated period which corresponds to a matter dominated period with a non-negative pressure, and (d) a present accelerated period where the dark energy density outweighs the energy density of the van der Waals fluid
Complex fluid network optimization and control integrative design based on nonlinear dynamic model
International Nuclear Information System (INIS)
Sui, Jinxue; Yang, Li; Hu, Yunan
2016-01-01
In view of distribution according to complex fluid network’s needs, this paper proposed one optimization computation method of the nonlinear programming mathematical model based on genetic algorithm. The simulation result shows that the overall energy consumption of the optimized fluid network has a decrease obviously. The control model of the fluid network is established based on nonlinear dynamics. We design the control law based on feedback linearization, take the optimal value by genetic algorithm as the simulation data, can also solve the branch resistance under the optimal value. These resistances can provide technical support and reference for fluid network design and construction, so can realize complex fluid network optimization and control integration design.
Validation of Numerical Two-Fluid and Kinetic Plasma Models
Energy Technology Data Exchange (ETDEWEB)
Daniel Barnes
2011-03-25
This was a four year grant commencing October 1, 2003 and finishing September 30, 2007. The funding was primarily used to support the work of the Principal Investigator, who collaborated with Profs. Scott Parker and John Cary at U. Colorado, and with two students, N. Xiang and J. Cheng also of U. Colorado. The technical accomplishments of this grant can be found in the publications listed in the final Section here. The main accomplishments of the grant work were: (1) Development and implementation of time-implicit two-fluid simulation methods in collaboration with the NIMROD team; and (2) Development and testing of a new time-implicit delta-f, energy-conserving method The basic two-fluid method, with many improvements is used in present NIMROD calculations. The energy-conserving delta-f method is under continuing development under contract between Coronado Consulting, a New Mexico sole proprietorship and the Oak Ridge National Laboratory.
Two-fluid model with droplet size distribution for condensing steam flows
International Nuclear Information System (INIS)
Wróblewski, Włodzimierz; Dykas, Sławomir
2016-01-01
The process of energy conversion in the low pressure part of steam turbines may be improved using new and more accurate numerical models. The paper presents a description of a model intended for the condensing steam flow modelling. The model uses a standard condensation model. A physical and a numerical model of the mono- and polydispersed wet-steam flow are presented. The proposed two-fluid model solves separate flow governing equations for the compressible, inviscid vapour and liquid phase. The method of moments with a prescribed function is used for the reconstruction of the water droplet size distribution. The described model is presented for the liquid phase evolution in the flow through the de Laval nozzle. - Highlights: • Computational Fluid Dynamics. • Steam condensation in transonic flows through the Laval nozzles. • In-house CFD code – two-phase flow, two-fluid monodispersed and polydispersed model.
Wave propagation in fluids models and numerical techniques
Guinot, Vincent
2012-01-01
This second edition with four additional chapters presents the physical principles and solution techniques for transient propagation in fluid mechanics and hydraulics. The application domains vary including contaminant transport with or without sorption, the motion of immiscible hydrocarbons in aquifers, pipe transients, open channel and shallow water flow, and compressible gas dynamics. The mathematical formulation is covered from the angle of conservation laws, with an emphasis on multidimensional problems and discontinuous flows, such as steep fronts and shock waves. Finite
International Nuclear Information System (INIS)
Betchen, L.J.; Straatman, A.G.
2005-01-01
A mathematical and numerical model for the treatment of conjugate fluid flow and heat transfer problems in domains containing pure fluid, porous, and pure solid regions has been developed. The model is general and physically reasoned, and allows for local thermal non-equilibrium in the porous region. The model is developed for implementation on a simple collocated finite volume grid. Of particular novelty are the conditions implemented at the interfaces between porous regions, and those containing a pure solid or pure fluid. The model is validated by simulation of a three-dimensional porous plug problem for which experimental results are available. (author)
Cosmological models constructed by van der Waals fluid approximation and volumetric expansion
Samanta, G. C.; Myrzakulov, R.
The universe modeled with van der Waals fluid approximation, where the van der Waals fluid equation of state contains a single parameter ωv. Analytical solutions to the Einstein’s field equations are obtained by assuming the mean scale factor of the metric follows volumetric exponential and power-law expansions. The model describes a rapid expansion where the acceleration grows in an exponential way and the van der Waals fluid behaves like an inflation for an initial epoch of the universe. Also, the model describes that when time goes away the acceleration is positive, but it decreases to zero and the van der Waals fluid approximation behaves like a present accelerated phase of the universe. Finally, it is observed that the model contains a type-III future singularity for volumetric power-law expansion.
Large Deviations for Stochastic Models of Two-Dimensional Second Grade Fluids
International Nuclear Information System (INIS)
Zhai, Jianliang; Zhang, Tusheng
2017-01-01
In this paper, we establish a large deviation principle for stochastic models of incompressible second grade fluids. The weak convergence method introduced by Budhiraja and Dupuis (Probab Math Statist 20:39–61, 2000) plays an important role.
National Aeronautics and Space Administration — Computational fluid dynamics (CFD) simulations are routinely used by NASA to optimize the design of propulsion systems. Current methods for CFD modeling rely on...
Large Deviations for Stochastic Models of Two-Dimensional Second Grade Fluids
Energy Technology Data Exchange (ETDEWEB)
Zhai, Jianliang, E-mail: zhaijl@ustc.edu.cn [University of Science and Technology of China, School of Mathematical Sciences (China); Zhang, Tusheng, E-mail: Tusheng.Zhang@manchester.ac.uk [University of Manchester, School of Mathematics (United Kingdom)
2017-06-15
In this paper, we establish a large deviation principle for stochastic models of incompressible second grade fluids. The weak convergence method introduced by Budhiraja and Dupuis (Probab Math Statist 20:39–61, 2000) plays an important role.
A Quality Function Deployment-Based Model for Cutting Fluid Selection
Directory of Open Access Journals (Sweden)
Kanika Prasad
2016-01-01
Full Text Available Cutting fluid is applied for numerous reasons while machining a workpiece, like increasing tool life, minimizing workpiece thermal deformation, enhancing surface finish, flushing away chips from cutting surface, and so on. Hence, choosing a proper cutting fluid for a specific machining application becomes important for enhanced efficiency and effectiveness of a manufacturing process. Cutting fluid selection is a complex procedure as the decision depends on many complicated interactions, including work material’s machinability, rigorousness of operation, cutting tool material, metallurgical, chemical, and human compatibility, reliability and stability of fluid, and cost. In this paper, a decision making model is developed based on quality function deployment technique with a view to respond to the complex character of cutting fluid selection problem and facilitate judicious selection of cutting fluid from a comprehensive list of available alternatives. In the first example, HD-CUTSOL is recognized as the most suitable cutting fluid for drilling holes in titanium alloy with tungsten carbide tool and in the second example, for performing honing operation on stainless steel alloy with cubic boron nitride tool, CF5 emerges out as the best honing fluid. Implementation of this model would result in cost reduction through decreased manpower requirement, enhanced workforce efficiency, and efficient information exploitation.
Numerical Modelling of Three-Fluid Flow Using The Level-set Method
Li, Hongying; Lou, Jing; Shang, Zhi
2014-11-01
This work presents a numerical model for simulation of three-fluid flow involving two different moving interfaces. These interfaces are captured using the level-set method via two different level-set functions. A combined formulation with only one set of conservation equations for the whole physical domain, consisting of the three different immiscible fluids, is employed. Numerical solution is performed on a fixed mesh using the finite volume method. Surface tension effect is incorporated using the Continuum Surface Force model. Validation of the present model is made against available results for stratified flow and rising bubble in a container with a free surface. Applications of the present model are demonstrated by a variety of three-fluid flow systems including (1) three-fluid stratified flow, (2) two-fluid stratified flow carrying the third fluid in the form of drops and (3) simultaneous rising and settling of two drops in a stationary third fluid. The work is supported by a Thematic and Strategic Research from A*STAR, Singapore (Ref. #: 1021640075).
Computational fluid-dynamic model of laser-induced breakdown in air
International Nuclear Information System (INIS)
Dors, Ivan G.; Parigger, Christian G.
2003-01-01
Temperature and pressure profiles are computed by the use of a two-dimensional, axially symmetric, time-accurate computational fluid-dynamic model for nominal 10-ns optical breakdown laser pulses. The computational model includes a kinetics mechanism that implements plasma equilibrium kinetics in ionized regions and nonequilibrium, multistep, finite-rate reactions in nonionized regions. Fluid-physics phenomena following laser-induced breakdown are recorded with high-speed shadowgraph techniques. The predicted fluid phenomena are shown by direct comparison with experimental records to agree with the flow patterns that are characteristic of laser spark decay
International Nuclear Information System (INIS)
Melo, Ana Cristina Bezerra Azedo de
2004-12-01
The fluid dynamic behavior of a riser in a cold type FCC model was investigated by means of catalyst concentration distribution measured with gamma attenuation and simulated with a mathematical model. In the riser of the cold model, MEF, 0,032 m in diameter, 2,30 m in length the fluidized bed, whose components are air and FCC catalyst, circulates. The MEF is operated by automatic control and instruments for measuring fluid dynamic variables. An axial catalyst concentration distribution was measured using an Am-241 gamma source and a NaI detector coupled to a multichannel provided with a software for data acquisition and evaluation. The MEF was adapted for a fluid dynamic model validation which describes the flow in the riser, for example, by introducing an injector for controlling the solid flow in circulation. Mathematical models were selected from literature, analyzed and tested to simulate the fluid dynamic of the riser. A methodology for validating fluid dynamic models was studied and implemented. The stages of the work were developed according to the validation methodology, such as data planning experiments, study of the equations which describe the fluidodynamic, computational solvers application and comparison with experimental data. Operational sequences were carried out keeping the MEF conditions for measuring catalyst concentration and simultaneously measuring the fluid dynamic variables, velocity of the components and pressure drop in the riser. Following this, simulated and experimental values were compared and statistical data treatment done, aiming at the required precision to validate the fluid dynamic model. The comparison tests between experimental and simulated data were carried out under validation criteria. The fluid dynamic behavior of the riser was analyzed and the results and the agreement with literature were discussed. The adopt model was validated under the MEF operational conditions, for a 3 to 6 m/s gas velocity in the riser and a slip
Entropic lattice Boltzmann model for charged leaky dielectric multiphase fluids in electrified jets.
Lauricella, Marco; Melchionna, Simone; Montessori, Andrea; Pisignano, Dario; Pontrelli, Giuseppe; Succi, Sauro
2018-03-01
We present a lattice Boltzmann model for charged leaky dielectric multiphase fluids in the context of electrified jet simulations, which are of interest for a number of production technologies including electrospinning. The role of nonlinear rheology on the dynamics of electrified jets is considered by exploiting the Carreau model for pseudoplastic fluids. We report exploratory simulations of charged droplets at rest and under a constant electric field, and we provide results for charged jet formation under electrospinning conditions.
Modeling fires in adjacent ship compartments with computational fluid dynamics
International Nuclear Information System (INIS)
Wix, S.D.; Cole, J.K.; Koski, J.A.
1998-01-01
This paper presents an analysis of the thermal effects on radioactive (RAM) transportation pack ages with a fire in an adjacent compartment. An assumption for this analysis is that the adjacent hold fire is some sort of engine room fire. Computational fluid dynamics (CFD) analysis tools were used to perform the analysis in order to include convective heat transfer effects. The analysis results were compared to experimental data gathered in a series of tests on the United States Coast Guard ship Mayo Lykes located at Mobile, Alabama. (authors)
Computational fluid dynamics in fire engineering theory, modelling and practice
Yuen, Kwok Kit
2009-01-01
Fire and combustion presents a significant engineering challenge to mechanical, civil and dedicated fire engineers, as well as specialists in the process and chemical, safety, buildings and structural fields. We are reminded of the tragic outcomes of 'untenable' fire disasters such as at King's Cross underground station or Switzerland's St Gotthard tunnel. In these and many other cases, computational fluid dynamics (CFD) is at the forefront of active research into unravelling the probable causes of fires and helping to design structures and systems to ensure that they are less likely in the f
Neutron scattering investigations of the lipid bilayer structure pressure dependence
Directory of Open Access Journals (Sweden)
D. V. Soloviov
2012-03-01
Full Text Available Lipid bilayer structure investigation results obtained with small angle neutron scattering method at the Joint Institute for Nuclear Research IBR-2M nuclear reactor (Dubna, Russia are presented. Experiment has been per-formed with small angle neutron scattering spectrometer YuMO, upgraded with the apparatus for performing P-V-T measurements on the substance under investigation. D2O-1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC liquid system, presenting the model of natural live membrane, has been taken as the sample for investiga-tions. The lipid bilayer spatial period was measured in experiment along with isothermal compressibility simulta-neously at different pressures. It has been shown, that the bilayer structural transition from ripple (wavelike gel-phase phase to liquid-crystal phase is accompanied with anomalous rise of isothermal compressibility, indicat-ing occurrence of the phase transition.
Neutron scattering investigations of the lipid bilayer structure pressure dependence
International Nuclear Information System (INIS)
Solovjov, D.V.; Gordelyij, V.Yi.; Gorshkova, Yu.Je.; Yivan'kov, O.Yi.; Koval'ov, Yu.S.; Kuklyin, A.Yi.; Solovjov, D.V.; Bulavyin, L.A.; Yivan'kov, O.Yi.; Nyikolajenko, T.Yu.; Kuklyin, A.Yi.; Gordelyij, V.Yi.; Gordelyij, V.Yi.
2012-01-01
Lipid bilayer structure investigation results obtained with small angle neutron scattering method at the Joint Institute for Nuclear Research IBR-2M nuclear reactor (Dubna, Russia) are presented. Experiment has been performed with small angle neutron scattering spectrometer YuMO, upgraded with the apparatus for performing PV-T measurements on the substance under investigation. D 2 O-1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) liquid system, presenting the model of natural live membrane, has been taken as the sample for investigations. The lipid bilayer spatial period was measured in experiment along with isothermal compressibility simultaneously at different pressures. It has been shown, that the bilayer structural transition from ripple (wavelike gel-phase) phase to liquid-crystal phase is accompanied with anomalous rise of isothermal compressibility, indicating occurrence of the phase transition.
Shaded computer graphic techniques for visualizing and interpreting analytic fluid flow models
Parke, F. I.
1981-01-01
Mathematical models which predict the behavior of fluid flow in different experiments are simulated using digital computers. The simulations predict values of parameters of the fluid flow (pressure, temperature and velocity vector) at many points in the fluid. Visualization of the spatial variation in the value of these parameters is important to comprehend and check the data generated, to identify the regions of interest in the flow, and for effectively communicating information about the flow to others. The state of the art imaging techniques developed in the field of three dimensional shaded computer graphics is applied to visualization of fluid flow. Use of an imaging technique known as 'SCAN' for visualizing fluid flow, is studied and the results are presented.
Son, Kwon Joong
2018-02-01
Hindering particle agglomeration and re-dispersion processes, gravitational sedimentation of suspended particles in magnetorheological (MR) fluids causes inferior performance and controllability of MR fluids in response to a user-specified magnetic field. Thus, suspension stability is one of the principal factors to be considered in synthesizing MR fluids. However, only a few computational studies have been reported so far on the sedimentation characteristics of suspended particles under gravity. In this paper, the settling dynamics of paramagnetic particles suspended in MR fluids was investigated via discrete element method (DEM) simulations. This work focuses particularly on developing accurate fluid-particle and particle-particle interaction models which can account for the influence of stabilizing surfactants on the MR fluid sedimentation. Effect of the stabilizing surfactants on interparticle interactions was incorporated into the derivation of a reliable contact-impact model for DEM computation. Also, the influence of the stabilizing additives on fluid-particle interactions was considered by incorporating Stokes drag with shape and wall correction factors into DEM formulation. The results of simulations performed for model validation purposes showed a good agreement with the published sedimentation measurement data in terms of an initial sedimentation velocity and a final sedimentation ratio.
Electronic band structure of magnetic bilayer graphene superlattices
International Nuclear Information System (INIS)
Pham, C. Huy; Nguyen, T. Thuong; Nguyen, V. Lien
2014-01-01
Electronic band structure of the bilayer graphene superlattices with δ-function magnetic barriers and zero average magnetic flux is studied within the four-band continuum model, using the transfer matrix method. The periodic magnetic potential effects on the zero-energy touching point between the lowest conduction and the highest valence minibands of pristine bilayer graphene are exactly analyzed. Magnetic potential is shown also to generate the finite-energy touching points between higher minibands at the edges of Brillouin zone. The positions of these points and the related dispersions are determined in the case of symmetric potentials.
Roure, F.; Andriessen, P.A.M.; Callot, J.P.; Ferket, H.; Gonzales, E.; Guilhaumou, N.; Hardebol, N.J.; Lacombe, O.; Malandain, J.; Mougin, P.; Muska, K.; Ortuno, S.; Sassi, W.; Swennen, R.; Vilasi, N.
2010-01-01
Basin modelling tools are now more efficient to reconstruct palinspastic structural cross sections and compute the history of temperature, pore-fluid pressure and fluid flow circulations in complex structural settings. In many cases and especially in areas where limited erosion occurred, the use of
International Nuclear Information System (INIS)
Amini, Y; Emdad, H; Farid, M
2014-01-01
Piezoelectric energy harvesting (PEH) from ambient energy sources, particularly vibrations, has attracted considerable interest throughout the last decade. Since fluid flow has a high energy density, it is one of the best candidates for PEH. Indeed, a piezoelectric energy harvesting process from the fluid flow takes the form of natural three-way coupling of the turbulent fluid flow, the electromechanical effect of the piezoelectric material and the electrical circuit. There are some experimental and numerical studies about piezoelectric energy harvesting from fluid flow in literatures. Nevertheless, accurate modeling for predicting characteristics of this three-way coupling has not yet been developed. In the present study, accurate modeling for this triple coupling is developed and validated by experimental results. A new code based on this modeling in an openFOAM platform is developed. (paper)
International Nuclear Information System (INIS)
Escobar Remolina, Juan Carlos M; Barrios Ortiz, Wilson; Santoyo Ramirez Gildardo
2009-01-01
A thermodynamic structure has been modified in order to calculate cloud point, fluidity and amount of precipitated wax under a wide range of temperature conditions, composition, and high pressures. The model is based on a combination of ideal solution concepts, fluid characterization, and formation of multiple solid phases using Cubic State Equations. The experimental data utilized for testing the prediction capacity and potentiality of a model exhibit different characteristics: continuous series synthetic systems of heavy alkanes, discontinuous series, and dead or living petroleum fluids with indefinite fractions such as C7+, C10+, C20+, and C30+. The samples were taken from the literature, petroleum fluids from the main Colombian reservoirs, and some samples of Bolivian fluids. Results presented in this paper show the minimum standard deviations between experimental data and data calculated with a model. This allows a progress in decision-making processes for flow assurance in reservoirs, wells, and surface facilities in the petroleum industry.
Exact EGB models for spherical static perfect fluids
Energy Technology Data Exchange (ETDEWEB)
Hansraj, Sudan; Chilambwe, Brian; Maharaj, Sunil D. [University of KwaZulu-Natal, Astrophysics and Cosmology Research Unit, School of Mathematics, Statistics and Computer Science, Private Bag 54001, Durban (South Africa)
2015-06-15
We obtain a new exact solution to the field equations for a 5-dimensional spherically symmetric static distribution in the Einstein-Gauss-Bonnet modified theory of gravity. By using a transformation, the study is reduced to the analysis of a single second order nonlinear differential equation. In general the condition of pressure isotropy produces a first order differential equation which is an Abel equation of the second kind. An exact solution is found. The solution is examined for physical admissibility. In particular a set of constants is found which ensures that a pressure-free hypersurface exists which defines the boundary of the distribution. Additionally the isotropic pressure and the energy density are shown to be positive within the radius of the sphere. The adiabatic sound-speed criterion is also satisfied within the fluid ensuring a subluminal sound speed. Furthermore, the weak, strong and dominant conditions hold throughout the distribution. On setting the Gauss-Bonnet coupling to zero, an exact solution for 5-dimensional perfect fluids in the standard Einstein theory is obtained. Plots of the dynamical quantities for the Gauss-Bonnet and the Einstein case reveal that the pressure is unaffected, while the energy density increases under the influence of the Gauss-Bonnet term. (orig.)
Working fluid charge oriented off-design modeling of a small scale Organic Rankine Cycle system
International Nuclear Information System (INIS)
Liu, Liuchen; Zhu, Tong; Ma, Jiacheng
2017-01-01
Highlights: • Organic Rankine Cycle model considering working fluid charge has been established. • Overall solution algorithm of system off-design performance is proposed. • Variation trend of different zones in both heat exchangers can be observed. • Optimal working fluid charge volume for different output work has been estimated. - Abstract: Organic Rankine Cycle system is one of the most widely used technique for low-grade waste heat recovery. Developing of dynamic Organic Rankine Cycle models played an increasingly important part in system performance prediction. The present paper developed a working fluid charge oriented model for an small scale Organic Rankine Cycle to calculate the theoretical value of working fluid charge level for the system under rated condition. The two heat exchangers are divided into three different zones and related heat transfer correlations are employed to estimate the length variation of each zones. Steady state models have been applied to describe the performance of pump and expander. Afterwards, an overall solution algorithm based on the established model has been proposed in order to exact simulate the system’s off-design performance. Additionally, the impact of different working fluid charge volumes has also been discussed. Simulation results clearly shows the variation trend of different zones in both heat exchangers, as well as the variation trend of system operating parameters under various expander output work. Furthermore, the highest thermal efficiency can be reached 6.37% under rated conditions with a working fluid charge volume of 34.6 kg.
Muszynska, Agnes; Bently, Donald E.
1991-01-01
Perturbation techniques used for identification of rotating system dynamic characteristics are described. A comparison between two periodic frequency-swept perturbation methods applied in identification of fluid forces of rotating machines is presented. The description of the fluid force model identified by inputting circular periodic frequency-swept force is given. This model is based on the existence and strength of the circumferential flow, most often generated by the shaft rotation. The application of the fluid force model in rotor dynamic analysis is presented. It is shown that the rotor stability is an entire rotating system property. Some areas for further research are discussed.
International Nuclear Information System (INIS)
Jackson, V.L.
2011-01-01
The primary purpose of the tank mixing and sampling demonstration program is to mitigate the technical risks associated with the ability of the Hanford tank farm delivery and celtification systems to measure and deliver a uniformly mixed high-level waste (HLW) feed to the Waste Treatment and Immobilization Plant (WTP) Uniform feed to the WTP is a requirement of 24590-WTP-ICD-MG-01-019, ICD-19 - Interface Control Document for Waste Feed, although the exact definition of uniform is evolving in this context. Computational Fluid Dynamics (CFD) modeling has been used to assist in evaluating scaleup issues, study operational parameters, and predict mixing performance at full-scale.
Unsteady Model for Transverse Fluid Elastic Instability of Heat Exchange Tube Bundle
Directory of Open Access Journals (Sweden)
Jun Liu
2014-01-01
Full Text Available From the viewpoint of practical application, based on the unsteady analytical model for transverse fluid elastic instability of tube array proposed by Yetisir and the linear attenuation function introduced by Li Ming, a new explicit model based on nonsteady state “streamtube” hypothesis is proposed and solved using complex number method. In the model, numerical integral is avoided and inappropriate aspects in Li Ming model are modified. Using the model, the fluid elastic instability analysis of a single flexible tube is made. The stability graphs for four typical types of tube array are plotted and contrasted with experimental results. It is found that the current explicit model is effective in the analysis of transverse fluid elastic instability of tube bundle.
Hamiltonian structure of reduced fluid models for plasmas obtained from a kinetic description
International Nuclear Information System (INIS)
Guillebon, L. de; Chandre, C.
2012-01-01
We consider the Hamiltonian structure of reduced fluid models obtained from a kinetic description of collisionless plasmas by Vlasov–Maxwell equations. We investigate the possibility of finding Poisson subalgebras associated with fluid models starting from the Vlasov–Maxwell Poisson algebra. In this way, we show that the only possible Poisson subalgebra involves the moments of zeroth and first order of the Vlasov distribution, meaning the fluid density and the fluid velocity. We find that the bracket derived in [B.A. Shadwick, G.M. Tarkenton, E.H. Esarey, Phys. Rev. Lett. 93 (2004) 175002] which involves moments of order 2 is not a Poisson bracket since it does not satisfy the Jacobi identity. -- Highlights: ► We investigate fluid reductions from the Vlasov–Maxwell Poisson bracket. ► The only Poisson subalgebra involves fluid density and fluid velocity. ► The bracket derived in [B.A. Shadwick, G.M. Tarkenton, E.H. Esarey, Phys. Rev. Lett. 93 (2004) 175002] is not Hamiltonian.
Two-equation and multi-fluid turbulence models for Rayleigh–Taylor mixing
International Nuclear Information System (INIS)
Kokkinakis, I.W.; Drikakis, D.; Youngs, D.L.; Williams, R.J.R.
2015-01-01
Highlights: • We present a new improved version of the K–L model. • The improved K–L is found in good agreement with the multi-fluid model and ILES. • The study concerns Rayleigh–Taylor flows at initial density ratios 3:1 and 20:1. - Abstract: This paper presents a new, improved version of the K–L model, as well as a detailed investigation of K–L and multi-fluid models with reference to high-resolution implicit large eddy simulations of compressible Rayleigh–Taylor mixing. The accuracy of the models is examined for different interface pressures and specific heat ratios for Rayleigh–Taylor flows at initial density ratios 3:1 and 20:1. It is shown that the original version of the K–L model requires modifications in order to provide comparable results to the multi-fluid model. The modifications concern the addition of an enthalpy diffusion term to the energy equation; the formulation of the turbulent kinetic energy (source) term in the K equation; and the calculation of the local Atwood number. The proposed modifications significantly improve the results of the K–L model, which are found in good agreement with the multi-fluid model and implicit large eddy simulations with respect to the self-similar mixing width; peak turbulent kinetic energy growth rate, as well as volume fraction and turbulent kinetic energy profiles. However, a key advantage of the two-fluid model is that it can represent the degree of molecular mixing in a direct way, by transferring mass between the two phases. The limitations of the single-fluid K–L model as well as the merits of more advanced Reynolds-averaged Navier–Stokes models are also discussed throughout the paper.
Modeling centrifugal cell washers using computational fluid dynamics.
Kellet, Beth E; Han, Binbing; Dandy, David S; Wickramasinghe, S Ranil
2004-11-01
Reinfusion of shed blood during surgery could avoid the need for blood transfusions. Prior to reinfusion of the red blood cells, the shed blood must be washed in order to remove leukocytes, platelets, and other contaminants. Further, the hematocrit of the washed blood must be increased. The feasibility of using computational fluid dynamics (CFD) to guide the design of better centrifuges for processing shed blood is explored here. The velocity field within a centrifuge bowl and the rate of protein removal from the shed blood has been studied. The results obtained indicate that CFD could help screen preliminary centrifuge bowl designs, thus reducing the number of initial experimental tests required when developing new centrifuge bowls. Although the focus of this work is on washing shed blood, the methods developed here are applicable to the design of centrifuge bowls for other blood-processing applications.
Simulation of Tailrace Hydrodynamics Using Computational Fluid Dynamics Models
Energy Technology Data Exchange (ETDEWEB)
Cook, Christopher B.; Richmond, Marshall C.
2001-05-01
This report investigates the feasibility of using computational fluid dynamics (CFD) tools to investigate hydrodynamic flow fields surrounding the tailrace zone below large hydraulic structures. Previous and ongoing studies using CFD tools to simulate gradually varied flow with multiple constituents and forebay/intake hydrodynamics have shown that CFD tools can provide valuable information for hydraulic and biological evaluation of fish passage near hydraulic structures. These studies however are incapable of simulating the rapidly varying flow fields that involving breakup of the free-surface, such as those through and below high flow outfalls and spillways. Although the use of CFD tools for these types of flow are still an active area of research, initial applications discussed in this report show that these tools are capable of simulating the primary features of these highly transient flow fields.
Qweak Data Analysis for Target Modeling Using Computational Fluid Dynamics
Moore, Michael; Covrig, Silviu
2015-04-01
The 2.5 kW liquid hydrogen (LH2) target used in the Qweak parity violation experiment is the highest power LH2 target in the world and the first to be designed with Computational Fluid Dynamics (CFD) at Jefferson Lab. The Qweak experiment determined the weak charge of the proton by measuring the parity-violating elastic scattering asymmetry of longitudinally polarized electrons from unpolarized liquid hydrogen at small momentum transfer (Q2 = 0 . 025 GeV2). This target met the design goals of bench-marked with the Qweak target data. This work is an essential ingredient in future designs of very high power low noise targets like MOLLER (5 kW, target noise asymmetry contribution < 25 ppm) and MESA (4.5 kW).
On coupling fluid plasma and kinetic neutral physics models
Directory of Open Access Journals (Sweden)
I. Joseph
2017-08-01
Full Text Available The coupled fluid plasma and kinetic neutral physics equations are analyzed through theory and simulation of benchmark cases. It is shown that coupling methods that do not treat the coupling rates implicitly are restricted to short time steps for stability. Fast charge exchange, ionization and recombination coupling rates exist, even after constraining the solution by requiring that the neutrals are at equilibrium. For explicit coupling, the present implementation of Monte Carlo correlated sampling techniques does not allow for complete convergence in slab geometry. For the benchmark case, residuals decay with particle number and increase with grid size, indicating that they scale in a manner that is similar to the theoretical prediction for nonlinear bias error. Progress is reported on implementation of a fully implicit Jacobian-free Newton–Krylov coupling scheme. The present block Jacobi preconditioning method is still sensitive to time step and methods that better precondition the coupled system are under investigation.
A computational fluid dynamics model for designing heat exchangers based on natural convection
Dirkse, M.H.; Loon, van W.K.P.; Walle, van der T.; Speetjens, S.L.; Bot, G.P.A.
2006-01-01
A computational fluid dynamics model was created for the design of a natural convection shell-and-tube heat exchanger with baffles. The flow regime proved to be turbulent and this was modelled using the k¿¿ turbulence model. The features of the complex geometry were simplified considerably resulting
Spontaneous bending of pre-stretched bilayers.
DeSimone, Antonio
2018-01-01
We discuss spontaneously bent configurations of pre-stretched bilayer sheets that can be obtained by tuning the pre-stretches in the two layers. The two-dimensional nonlinear plate model we use for this purpose is an adaptation of the one recently obtained for thin sheets of nematic elastomers, by means of a rigorous dimensional reduction argument based on the theory of Gamma-convergence (Agostiniani and DeSimone in Meccanica. doi:10.1007/s11012-017-0630-4, 2017, Math Mech Solids. doi:10.1177/1081286517699991, arXiv:1509.07003, 2017). We argue that pre-stretched bilayer sheets provide us with an interesting model system to study shape programming and morphing of surfaces in other, more complex systems, where spontaneous deformations are induced by swelling due to the absorption of a liquid, phase transformations, thermal or electro-magnetic stimuli. These include bio-mimetic structures inspired by biological systems from both the plant and the animal kingdoms.
Numerical modelling of cuttings transport in horizontal wells using conventional drilling fluids
Energy Technology Data Exchange (ETDEWEB)
Li, Y.; Bjorndalen, E.; Kuru, E. [Alberta Univ., Edmonton, AB (Canada)
2004-07-01
Some of the problems associated with poor wellbore cleaning include high drag or torque, slower rate of penetration, formation fractures and difficulty in wellbore steering. Some of the factors that affect cuttings transport include drilling fluid velocity, inclination angle, drilling fluid viscosity and drilling rate. The general practice is to stop drilling when necessary to clean boreholes with viscous pills, pipe rotation or drilling fluid circulation. It is important to predict when drilling should be stopped for remedial wellbore cleaning. This can be accomplished with a transient cuttings transport model which can improve drilling hydraulics, particularly in long horizontal well sections and extended reach (ERD) wells. This paper presents a newly developed 1-dimensional transient mechanistic model of cuttings transport with conventional (incompressible) drilling fluids in horizontal wells. The numerically solved model predicts the height of cutting beds as a function of different drilling operational parameters such as fluid flow rate and rheological characteristics, drilling rates, wellbore geometry and drillpipe eccentricity. Sensitivity analysis has demonstrated the effects of these parameters on the efficiency of solids transport. The proposed model can be used in the creation of computer programs designed to optimize drilling fluid rheology and flow rates for horizontal well drilling. 29 refs., 3 tabs., 12 figs.
Smoothed particle hydrodynamics modelling in continuum mechanics: fluid-structure interaction
Directory of Open Access Journals (Sweden)
Groenenboom P. H. L.
2009-06-01
Full Text Available Within this study, the implementation of the smoothed particle hydrodynamics (SPH method solving the complex problem of interaction between a quasi-incompressible fluid involving a free surface and an elastic structure is outlined. A brief description of the SPH model for both the quasi-incompressible fluid and the isotropic elastic solid is presented. The interaction between the fluid and the elastic structure is realised through the contact algorithm. The results of numerical computations are confronted with the experimental as well as computational data published in the literature.
Molecular dynamics study on the relaxation properties of bilayered ...
Indian Academy of Sciences (India)
2017-08-31
Aug 31, 2017 ... Abstract. The influence of defects on the relaxation properties of bilayered graphene (BLG) has been studied by molecular dynamics simulation in nanometre sizes. Type and position of defects were taken into account in the calculated model. The results show that great changes begin to occur in the ...
Two-fluid modeling of thermal-hydraulic phenomena for best-estimate LWR safety analysis
International Nuclear Information System (INIS)
Yadigaroglu, G.; Andreani, M.
1989-01-01
Two-fluid formulation of the conservation equations has allowed modelling of the two-phase flow and heat transfer phenomena and situations involving strong departures in thermal and velocity equilibrium between the phases. The paper reviews the state of the art in modelling critical flows, and certain phase separation phenomena, as well as post-dryout heat transfer situations. Although the two-fluid models and the codes have the potential for correctly modelling such situations, this potential has not always been fully used in practice. (orig.)
A General Nonlinear Fluid Model for Reacting Plasma-Neutral Mixtures
Energy Technology Data Exchange (ETDEWEB)
Meier, E T; Shumlak, U
2012-04-06
A generalized, computationally tractable fluid model for capturing the effects of neutral particles in plasmas is derived. The model derivation begins with Boltzmann equations for singly charged ions, electrons, and a single neutral species. Electron-impact ionization, radiative recombination, and resonant charge exchange reactions are included. Moments of the reaction collision terms are detailed. Moments of the Boltzmann equations for electron, ion, and neutral species are combined to yield a two-component plasma-neutral fluid model. Separate density, momentum, and energy equations, each including reaction transfer terms, are produced for the plasma and neutral equations. The required closures for the plasma-neutral model are discussed.
Five decades of tackling models for stiff fluid dynamics problems a scientific autobiography
Zeytounian, Radyadour Kh
2014-01-01
Rationality - as opposed to 'ad-hoc' - and asymptotics - to emphasize the fact that perturbative methods are at the core of the theory - are the two main concepts associated with the Rational Asymptotic Modeling (RAM) approach in fluid dynamics when the goal is to specifically provide useful models accessible to numerical simulation via high-speed computing. This approach has contributed to a fresh understanding of Newtonian fluid flow problems and has opened up new avenues for tackling real fluid flow phenomena, which are known to lead to very difficult mathematical and numerical problems irrespective of turbulence. With the present scientific autobiography the author guides the reader through his somewhat non-traditional career; first discovering fluid mechanics, and then devoting more than fifty years to intense work in the field. Using both personal and general historical contexts, this account will be of benefit to anyone interested in the early and contemporary developments of an important branch of the...
Neural Network Modeling of Cutting Fluid Impact on Energy Consumption during Turning
Directory of Open Access Journals (Sweden)
M. Bachraty
2016-06-01
Full Text Available This paper presents a part of research on power consumption differences between various cutting fluids used during turning operations. An attempt was made to study the possibility of artificial neural network to model the behavior function and predicting the electrical power consumption. Friction factor of examined cutting fluids was also measured to describe a more complete picture of investigated cutting fluids characteristics. It was discovered that wide spectrum of characteristics is present in today’s market and that artificial neural networks are suitable for purpose of modeling the power consumption of the lathe during machining. This paper could be used as a foundation for later database building where it would be possible to predict how certain cutting fluid will behave in a specific machining parameter combination.
Samsudin, A.; Fratiwi, N.; Amin, N.; Wiendartun; Supriyatman; Wibowo, F.; Faizin, M.; Costu, B.
2018-05-01
This study based on an importance of improving students’ conceptions and reduces students’ misconceptions on fluid dynamics concepts. Consequently, should be done the study through combining Peer Teaching Model (PTM) and PDEODE (Prediction, Discuss, Explain, Observe, Discuss and Explain) learning strategy (PTM-PDEODE). For the research methods, we used the 4D model (Defining, Designing, Developing, and Disseminating). The samples are 38 students (their ages were an average of 17 years-old) at one of the senior high schools in Bandung. The improvement of students’ conceptions was diagnosed through a four-tier test of fluid dynamics. At the disseminating phase, students’ conceptions of fluid dynamics concepts are increase after the use of PTM-PDEODE. In conclusion, the development of PTM-PDEODE is respectable enough to improve students’ conceptions on dinamics fluid.
DEFF Research Database (Denmark)
Larsson, Hilde Kristina
the velocity and pressure distributions in a fluid. CFD also enables the modelling of several fluids simultaneously, e.g. gas bubbles in a liquid, as well as the presence of turbulence and dissolved chemicals in a fluid, and many other phenomena. This makes CFD an appreciated tool for studying flow structures......, mixing, and other mass transfer phenomena in chemical and biochemical reactor systems. In this project, four selected case studies are investigated in order to explore the capabilities of CFD. The selected cases are a 1 ml stirred microbioreactor, an 8 ml magnetically stirred reactor, a Rushton impeller...... and an ion-exchange reaction are also modelled and compared to experimental data. The thesis includes a comprehensive overview of the fundamentals behind a CFD software, as well as a more detailed review of the fluid dynamic phenomena investigated in this project. The momentum and continuity equations...
Downhole Temperature Modeling for Non-Newtonian Fluids in ERD Wells
Directory of Open Access Journals (Sweden)
Dan Sui
2018-04-01
Full Text Available Having precise information of fluids' temperatures is a critical process during planning of drilling operations, especially for extended reach drilling (ERD. The objective of this paper is to develop an accurate temperature model that can precisely calculate wellbore temperature distributions. An established semi-transient temperature model for vertical wellbores is extended and improved to include deviated wellbores and more realistic scenarios using non-Newtonian fluids. The temperature model is derived based on an energy balance between the formation and the wellbore. Heat transfer is considered steady-state in the wellbore and transient in the formation through the utilization of a formation cooling effect. In this paper, the energy balance is enhanced by implementing heat generation from the drill bit friction and contact friction force caused by drillpipe rotation. A non-linear geothermal gradient as a function of wellbore inclination, is also introduced to extend the model to deviated wellbores. Additionally, the model is improved by considering temperature dependent drilling fluid transport and thermal properties. Transport properties such as viscosity and density are obtained by lab measurements, which allows for investigation of the effect of non-Newtonian fluid behavior on the heat transfer. Furthermore, applying a non-Newtonian pressure loss model enables an opportunity to evaluate the impact of viscous forces on fluid properties and thus the overall heat transfer. Results from sensitivity analysis of both drilling fluid properties and other relevant parameters will be presented. The main application area of this model is related to optimization of drilling fluid, hydraulics, and wellbore design parameters, ultimately leading to safe and cost efficient operations.
Static/dynamic fluid-structure interaction analysis for 3-D rotary blade model
International Nuclear Information System (INIS)
Kim, Dong Hyun; Kim, Yu Sung; Kim, Dong Man; Park, Kang Kyun
2009-01-01
In this study, static/dynamic fluid-structure interaction analyses have been conducted for a 3D rotary blade model like a turbo-machinery or wind turbine blade. Advanced computational analysis system based on Computational Fluid Dynamics (CFD) and Computational Structural Dynamics (CSD) has been developed in order to investigate detailed dynamic responses of rotary type models. Fluid domains are modeled using the computational grid system with local grid deforming techniques. Reynolds-averaged Navier-Stokes equations with various turbulence model are solved for unsteady flow problems of the rotating blade model. Detailed static/dynamic responses and instantaneous pressure contours on the blade surfaces considering flow-separation effects are presented to show the multi-physical phenomenon of the rotating blades.
Mathematical modeling of fluid flow in aluminum ladles for degasification with impeller - injector
Ramos-Gómez, E.; González-Rivera, C.; Ramírez-Argáez, M. A.
2012-09-01
In this work a fundamental Eulerian mathematical model was developed to simulate fluid flow in a water physical model of an aluminum ladle equipped with impeller for degassing treatment. The effect of critical process parameters such as rotor speed, gas flow rate on the fluid flow and vortex formation was analyzed with this model. Commercial CFD code PHOENICS 3.4 was used to solve all conservation equations governing the process for this twophase fluid flow system. The mathematical model was successfully validated against experimentally measured liquid velocity and turbulent profiles in a physical model. From the results it was concluded that the angular speed of the impeller is the most important parameter promoting better stirred baths. Pumping effect of the impeller is increased as impeller rotation speed increases. Gas flow rate is detrimental on bath stirring and diminishes pumping effect of impeller.
Geophysical fluid dynamics understanding (almost) everything with rotating shallow water models
Zeitlin, Vladimir
2018-01-01
The book explains the key notions and fundamental processes in the dynamics of the fluid envelopes of the Earth (transposable to other planets), and methods of their analysis, from the unifying viewpoint of rotating shallow-water model (RSW). The model, in its one- or two-layer versions, plays a distinguished role in geophysical fluid dynamics, having been used for around a century for conceptual understanding of various phenomena, for elaboration of approaches and methods, to be applied later in more complete models, for development and testing of numerical codes and schemes of data assimilations, and many other purposes. Principles of modelling of large-scale atmospheric and oceanic flows, and corresponding approximations, are explained and it is shown how single- and multi-layer versions of RSW arise from the primitive equations by vertical averaging, and how further time-averaging produces celebrated quasi-geostrophic reductions of the model. Key concepts of geophysical fluid dynamics are exposed and inte...
N'Doye, Ibrahima
2015-05-25
In this paper, a dynamical fractional viscoelastic fluids convection model in porous media is proposed and its chaotic behavior is studied. A preformed equilibrium points analysis indicates the conditions where chaotic dynamics can be observed, and show the existence of chaos. The behavior and stability analysis of the integer-order and the fractional commensurate and non-commensurate orders of a fractional viscoelastic fluids system, which exhibits chaos, are presented as well.
Computational modelling of the flow of viscous fluids in carbon nanotubes
Energy Technology Data Exchange (ETDEWEB)
Khosravian, N [Computational Physical Sciences Research Laboratory, Department of Nano-Science, Institute for Research in Fundamental Sciences (IPM), PO Box 19395-5531, Tehran (Iran, Islamic Republic of); Rafii-Tabar, H [Computational Physical Sciences Research Laboratory, Department of Nano-Science, Institute for Research in Fundamental Sciences (IPM), PO Box 19395-5531, Tehran (Iran, Islamic Republic of)
2007-11-21
Carbon nanotubes will have extensive application in all areas of nano-technology, and in particular in the field of nano-fluidics, wherein they can be used for molecular separation, nano-scale filtering and as nano-pipes for conveying fluids. In the field of nano-medicine, nanotubes can be functionalized with various types of receptors to act as bio-sensors for the detection and elimination of cancer cells, or be used as bypasses and even neural connections. Modelling fluid flow inside nanotubes is a very challenging problem, since there is a complex interplay between the motion of the fluid and the stability of the walls. A critical issue in the design of nano-fluidic devices is the induced vibration of the walls, due to the fluid flow, which can promote structural instability. It has been established that the resonant frequencies depend on the flow velocity. We have studied, for the first time, the flow of viscous fluids through multi-walled carbon nanotubes, using the Euler-Bernoulli classical beam theory to model the nanotube as a continuum structure. Our aim has been to compute the effect of the fluid flow on the structural stability of the nanotubes, without having to consider the details of the fluid-walls interaction. The variations of the resonant frequencies with the flow velocity are obtained for both unembedded nanotubes, and when they are embedded in an elastic medium. It is found that a nanotube conveying a viscous fluid is more stable against vibration-induced buckling than a nanotube conveying a non-viscous fluid, and that the aspect ratio plays the same role in both cases.
Computational modelling of the flow of viscous fluids in carbon nanotubes
International Nuclear Information System (INIS)
Khosravian, N; Rafii-Tabar, H
2007-01-01
Carbon nanotubes will have extensive application in all areas of nano-technology, and in particular in the field of nano-fluidics, wherein they can be used for molecular separation, nano-scale filtering and as nano-pipes for conveying fluids. In the field of nano-medicine, nanotubes can be functionalized with various types of receptors to act as bio-sensors for the detection and elimination of cancer cells, or be used as bypasses and even neural connections. Modelling fluid flow inside nanotubes is a very challenging problem, since there is a complex interplay between the motion of the fluid and the stability of the walls. A critical issue in the design of nano-fluidic devices is the induced vibration of the walls, due to the fluid flow, which can promote structural instability. It has been established that the resonant frequencies depend on the flow velocity. We have studied, for the first time, the flow of viscous fluids through multi-walled carbon nanotubes, using the Euler-Bernoulli classical beam theory to model the nanotube as a continuum structure. Our aim has been to compute the effect of the fluid flow on the structural stability of the nanotubes, without having to consider the details of the fluid-walls interaction. The variations of the resonant frequencies with the flow velocity are obtained for both unembedded nanotubes, and when they are embedded in an elastic medium. It is found that a nanotube conveying a viscous fluid is more stable against vibration-induced buckling than a nanotube conveying a non-viscous fluid, and that the aspect ratio plays the same role in both cases
Advances in engineering turbulence modeling. [computational fluid dynamics
Shih, T.-H.
1992-01-01
Some new developments in two equation models and second order closure models are presented. In this paper, modified two equation models are proposed to remove shortcomings such as computing flows over complex geometries and the ad hoc treatment near the separation and reattachment points. The calculations using various two equation models are compared with direct numerical solutions of channel flows and flat plate boundary layers. Development of second order closure models will also be discussed with emphasis on the modeling of pressure related correlation terms and dissipation rates in the second moment equations. All existing models poorly predict the normal stresses near the wall and fail to predict the three dimensional effect of mean flow on the turbulence. The newly developed second order near-wall turbulence model to be described in this paper is capable of capturing the near-wall behavior of turbulence as well as the effect of three dimension mean flow on the turbulence.
A New Equivalent Statistical Damage Constitutive Model on Rock Block Mixed Up with Fluid Inclusions
Directory of Open Access Journals (Sweden)
Xiao Chen
2018-01-01
Full Text Available So far, there are few studies concerning the effect of closed “fluid inclusions” on the macroscopic constitutive relation of deep rock. Fluid-matrix element (FME is defined based on rock element in statistical damage model. The properties of FME are related to the size of inclusions, fluid properties, and pore pressure. Using FME, the equivalent elastic modulus of rock block containing fluid inclusions is obtained with Eshelby inclusion theory and the double M-T homogenization method. The new statistical damage model of rock is established on the equivalent elastic modulus. Besides, the porosity and confining pressure are important influencing factors of the model. The model reflects the initial damage (void and fluid inclusion and the macroscopic deformation law of rock, which is an improvement of the traditional statistical damage model. Additionally, the model can not only be consistent with the rock damage experiment date and three-axis compression experiment date of rock containing pore water but also describe the locked-in stress experiment in rock-like material. It is a new fundamental study of the constitutive relation of locked-in stress in deep rock mass.
Fluid Survival Tool: A Model Checker for Hybrid Petri Nets
Postema, Björn Frits; Remke, Anne Katharina Ingrid; Haverkort, Boudewijn R.H.M.; Ghasemieh, Hamed
2014-01-01
Recently, algorithms for model checking Stochastic Time Logic (STL) on Hybrid Petri nets with a single general one-shot transition (HPNG) have been introduced. This paper presents a tool for model checking HPNG models against STL formulas. A graphical user interface (GUI) not only helps to
Magnetorheological fluid dampers: a review of parametric modelling
International Nuclear Information System (INIS)
Wang, D H; Liao, W H
2011-01-01
Due to the inherent nonlinear nature of magnetorheological (MR) dampers, one of the challenging aspects for developing and utilizing these devices to achieve high performance is the development of models that can accurately describe their unique characteristics. In this review, the characteristics of MR dampers are summarized according to the measured responses under different conditions. On these bases, the considerations and methods of the parametric dynamic modelling for MR dampers are given and the state-of-the-art parametric dynamic modelling, identification and validation techniques for MR dampers are reviewed. In the past two decades, the models for MR dampers have been focused on how to improve the modelling accuracy. Although the force–displacement behaviour is well represented by most of the proposed dynamic models for MR dampers, no simple parametric models with high accuracy for MR dampers can be found. In addition, the parametric dynamic models for MR dampers with on-line updating ability and the inverse parametric models for MR dampers are scarcely explored. Moreover, whether one dynamic model for MR dampers can portray the force–displacement and force–velocity behaviour is not only determined by the dynamic model itself but also determined by the identification method. (topical review)
Cyclotron resonance in bilayer graphene.
Henriksen, E A; Jiang, Z; Tung, L-C; Schwartz, M E; Takita, M; Wang, Y-J; Kim, P; Stormer, H L
2008-02-29
We present the first measurements of cyclotron resonance of electrons and holes in bilayer graphene. In magnetic fields up to B=18 T, we observe four distinct intraband transitions in both the conduction and valence bands. The transition energies are roughly linear in B between the lowest Landau levels, whereas they follow square root[B] for the higher transitions. This highly unusual behavior represents a change from a parabolic to a linear energy dispersion. The density of states derived from our data generally agrees with the existing lowest order tight binding calculation for bilayer graphene. However, in comparing data to theory, a single set of fitting parameters fails to describe the experimental results.
Pfunt, Helena; Houben, Georg; Himmelsbach, Thomas
2016-09-01
Gas production from shale formations by hydraulic fracturing has raised concerns about the effects on the quality of fresh groundwater. The migration of injected fracking fluids towards the surface was investigated in the North German Basin, based on the known standard lithology. This included cases with natural preferential pathways such as permeable fault zones and fracture networks. Conservative assumptions were applied in the simulation of flow and mass transport triggered by a high pressure boundary of up to 50 MPa excess pressure. The results show no significant fluid migration for a case with undisturbed cap rocks and a maximum of 41 m vertical transport within a permeable fault zone during the pressurization. Open fractures, if present, strongly control the flow field and migration; here vertical transport of fracking fluids reaches up to 200 m during hydraulic fracturing simulation. Long-term transport of the injected water was simulated for 300 years. The fracking fluid rises vertically within the fault zone up to 485 m due to buoyancy. Progressively, it is transported horizontally into sandstone layers, following the natural groundwater flow direction. In the long-term, the injected fluids are diluted to minor concentrations. Despite the presence of permeable pathways, the injected fracking fluids in the reported model did not reach near-surface aquifers, either during the hydraulic fracturing or in the long term. Therefore, the probability of impacts on shallow groundwater by the rise of fracking fluids from a deep shale-gas formation through the geological underground to the surface is small.
Toward multiscale modelings of grain-fluid systems
Chareyre, Bruno; Yuan, Chao; Montella, Eduard P.; Salager, Simon
2017-06-01
Computationally efficient methods have been developed for simulating partially saturated granular materials in the pendular regime. In contrast, one hardly avoid expensive direct resolutions of 2-phase fluid dynamics problem for mixed pendular-funicular situations or even saturated regimes. Following previous developments for single-phase flow, a pore-network approach of the coupling problems is described. The geometry and movements of phases and interfaces are described on the basis of a tetrahedrization of the pore space, introducing elementary objects such as bridge, meniscus, pore body and pore throat, together with local rules of evolution. As firmly established local rules are still missing on some aspects (entry capillary pressure and pore-scale pressure-saturation relations, forces on the grains, or kinetics of transfers in mixed situations) a multi-scale numerical framework is introduced, enhancing the pore-network approach with the help of direct simulations. Small subsets of a granular system are extracted, in which multiphase scenario are solved using the Lattice-Boltzman method (LBM). In turns, a global problem is assembled and solved at the network scale, as illustrated by a simulated primary drainage.
Fluid models and simulations of biological cell phenomena
Greenspan, H. P.
1982-01-01
The dynamics of coated droplets are examined within the context of biofluids. Of specific interest is the manner in which the shape of a droplet, the motion within it as well as that of aggregates of droplets can be controlled by the modulation of surface properties and the extent to which such fluid phenomena are an intrinsic part of cellular processes. From the standpoint of biology, an objective is to elucidate some of the general dynamical features that affect the disposition of an entire cell, cell colonies and tissues. Conventionally averaged field variables of continuum mechanics are used to describe the overall global effects which result from the myriad of small scale molecular interactions. An attempt is made to establish cause and effect relationships from correct dynamical laws of motion rather than by what may have been unnecessary invocation of metabolic or life processes. Several topics are discussed where there are strong analogies droplets and cells including: encapsulated droplets/cell membranes; droplet shape/cell shape; adhesion and spread of a droplet/cell motility and adhesion; and oams and multiphase flows/cell aggregates and tissues. Evidence is presented to show that certain concepts of continuum theory such as suface tension, surface free energy, contact angle, bending moments, etc. are relevant and applicable to the study of cell biology.
Inderbitzen, K. E.; Wheat, C. G.; Baker, P. A.; Fisher, A. T.
2014-12-01
Currently, fluid circulation patterns and the evolution of rock/fluid compositions as circulation occurs in subseafloor hydrothermal systems are poorly constrained. Sedimented spreading centers provide a unique opportunity to study subsurface flow because sediment acts as an insulating blanket that traps heat from the cooling magma body and limits: (a) potential flow paths for seawater to recharge the aquifer in permeable upper basaltic basement and (b) points of altered fluid egress. This also allows for a range of thermal and geochemical gradients to exist near the sediment-water interface. Models of fluid circulation patterns in this type of hydrologic setting have been generated (eg. Stein and Fisher, 2001); however fluid chemistry datasets have not previously been used to test the model's viability. We address this issue by integrating the existing circulation model with fluid compositional data collected from sediment pore waters and high temperature hydrothermal vents located in Middle Valley on the Juan de Fuca Ridge. Middle Valley hosts a variety of hydrologic regimes: including areas of fluid recharge (Site 855), active venting (Site 858/1036; Dead Dog vent field), recent venting (Site 856/1035; Bent Hill Massive Sulfide deposit) and a section of heavily sedimented basement located between recharge and discharge sites (Site 857). We will present new results based on thermal and geochemical data from the area of active venting (Sites 858 and 1036), that was collected during Ocean Drilling Program Legs 139 and 169 and a subsequent heat flow/gravity coring effort. These results illuminate fine scale controls on secondary recharge and fluid flow within the sediment section at Site 858/1036. The current status of high temperature vents in this area (based on observations made in July, 2014) will also be outlined.
Transport measurements in superconductor/Heusler bilayers
Energy Technology Data Exchange (ETDEWEB)
Imort, Inga-Mareen; Fabretti, Savio; Thomas, Patrick; Reiss, Guenter; Thomas, Andy [Fakultaet fuer Physik, Universitaet Bielefeld, Bielefeld (Germany)
2012-07-01
Superconductivity and ferromagnetism are two contrary phenomena due to their electronic properties. The investigation of superconductor (S)/ferromagnet (F) heterostructures has attracted a lot of scientific interest since they allow studying the interplay between superconductivity and ferromagnetism. Additionally, applications seem possible such as F/S/F spin valves and S/F/S π-junctions. Using transport- and magnetotransport-measurements, we investigate the behavior of the superconducting transition temperature T{sub c} in NbTi/Co{sub 2}FeSi bilayers as a function of different layer thicknesses and for varying magnetic moments of the Co{sub 2}FeSi layers. Using rf-magnetron sputtering, NbTi/Co{sub 2}FeSi bilayers were grown on single-crystalline MgO(001) substrates and in-situ annealed at different temperatures. The layered character of our samples has been tested by X-ray diffraction (XRD) scans. The electronic and magnetic transport measurements have been performed between 3 and 300 K with the magnetic field up to 4 T oriented in the film plane. The dependence of T{sub c} on the NbTi- and Co{sub 2}FeSi-layer thickness enables an estimation of the interface transparency of the NbTi/Co{sub 2}FeSi barrier in the framework of recent theoretical models.
Modeling and analysis of hydrodynamic instabilities in two-phase flow using two-fluid model
International Nuclear Information System (INIS)
Zhou, J.; Podowski, M.Z.
2001-01-01
Because of the practical importance of two-phase flow instabilities, especially in boiling water nuclear reactor technology, substantial efforts have been made to date to understand the physical phenomena governing such instabilities and to develop computational tools to model the dynamics of marginally-stable/unstable boiling systems. The purpose of this paper is to present an integrated methodology for the analysis of flow-induced instabilities in boiling channels and systems. The major novel aspects of the proposed approach are: (a) it is based on the combined frequency-domain and time-domain methods, the former used to quantify stability margins and to determine the onset of instability conditions, the latter to study the nonlinear system response outside the stability boundaries identified using the nearly-exact results of the frequency-domain analysis; (b) the two-fluid model of two-phase flow has been used for the first time to analytically derive the boiling channel transfer functions for the parallel-channel and channel-to-channel instability modes. In this way, the major characteristics of a boiling system, including the onset-of-instability conditions, can be readily evaluated by using the qualitative frequency-domain approach, whereas the explicit time-domain integration is performed, if necessary, only for the operating conditions that have already been identified as unstable. Both methods use the same physical two-fluid model that, in one case, is linearized and used to derive a rigorous analytical solution in the complex domain, and, in the other case, is solved numerically using an algorithm developed especially for this purpose. The results using both methods have been compared against each other and extensively tested. The testing and validation of the new model included comparisons of the predicted steady-state distributions of major parameters and of the transient channel response against experimental data
A Brief Review on the Baer-Nunziato type Multi-pressure Multi-fluid Models
International Nuclear Information System (INIS)
Lee, Sang Yong; Park, Chan Eok; Lee, Gyu Cheon
2010-01-01
Single pressure two-fluid flow equations have complex characteristics. This causes ill-posedness problem. Even though some authors show that the numerical solutions are well behaved if the number of mesh points is sufficiently small, the stability of the solution is always challenged. There have been several attempts to overcome these problems. Multi-pressure multi-fluid models are one of them. Among them, Baer and Nunziato (BN) derived an interesting two-fluid model. BN model has independent phase pressures. It is closed by inserting volume fraction evolution equation. In this paper, several aspects of the BN type model will be reviewed and some suggestion for the future study will be made
Modeling Two-Phase Flow and Vapor Cycles Using the Generalized Fluid System Simulation Program
Smith, Amanda D.; Majumdar, Alok K.
2017-01-01
This work presents three new applications for the general purpose fluid network solver code GFSSP developed at NASA's Marshall Space Flight Center: (1) cooling tower, (2) vapor-compression refrigeration system, and (3) vapor-expansion power generation system. These systems are widely used across engineering disciplines in a variety of energy systems, and these models expand the capabilities and the use of GFSSP to include fluids and features that are not part of its present set of provided examples. GFSSP provides pressure, temperature, and species concentrations at designated locations, or nodes, within a fluid network based on a finite volume formulation of thermodynamics and conservation laws. This paper describes the theoretical basis for the construction of the models, their implementation in the current GFSSP modeling system, and a brief evaluation of the usefulness of the model results, as well as their applicability toward a broader spectrum of analytical problems in both university teaching and engineering research.
Micro-poromechanics model of fluid-saturated chemically active fibrous media.
Misra, Anil; Parthasarathy, Ranganathan; Singh, Viraj; Spencer, Paulette
2015-02-01
We have developed a micromechanics based model for chemically active saturated fibrous media that incorporates fiber network microstructure, chemical potential driven fluid flow, and micro-poromechanics. The stress-strain relationship of the dry fibrous media is first obtained by considering the fiber behavior. The constitutive relationships applicable to saturated media are then derived in the poromechanics framework using Hill's volume averaging. The advantage of this approach is that the resultant continuum model accounts for the discrete nature of the individual fibers while retaining a form suitable for porous materials. As a result, the model is able to predict the influence of micro-scale phenomena, such as the fiber pre-strain caused by osmotic effects and evolution of fiber network structure with loading, on the overall behavior and in particular, on the poromechanics parameters. Additionally, the model can describe fluid-flow related rate-dependent behavior under confined and unconfined conditions and varying chemical environments. The significance of the approach is demonstrated by simulating unconfined drained monotonic uniaxial compression under different surrounding fluid bath molarity, and fluid-flow related creep and relaxation at different loading-levels and different surrounding fluid bath molarity. The model predictions conform to the experimental observations for saturated soft fibrous materials. The method can potentially be extended to other porous materials such as bone, clays, foams and concrete.
Two-phase flow modeling for low concentration spherical particle motion through a Newtonian fluid
CSIR Research Space (South Africa)
Smit GJF
2010-11-01
Full Text Available the necessity to model the discrete nature of sep- cite this article in press as: G.J.F. Smit et al., Two-phase flow modeling for low concentration spherical particle motion through a ian fluid, Appl. Math. Comput. (2010), doi:10.1016/j.amc.2010.07.055 2... and Ribberin large-scale and long term morphologica Please cite this article in press as: G.J.F. Smit Newtonian fluid, Appl. Math. Comput. (2010), � 2010 Elsevier Inc. All rights reserved. modeling of multiphase flow has increasingly become the subject...
An exploration of viscosity models in the realm of kinetic theory of liquids originated fluids
Hussain, Azad; Ghafoor, Saadia; Malik, M. Y.; Jamal, Sarmad
The preeminent perspective of this article is to study flow of an Eyring Powell fluid model past a penetrable plate. To find the effects of variable viscosity on fluid model, continuity, momentum and energy equations are elaborated. Here, viscosity is taken as function of temperature. To understand the phenomenon, Reynold and Vogel models of variable viscosity are incorporated. The highly non-linear partial differential equations are transfigured into ordinary differential equations with the help of suitable similarity transformations. The numerical solution of the problem is presented. Graphs are plotted to visualize the behavior of pertinent parameters on the velocity and temperature profiles.
Under the influence of alcohol: The effect of ethanol and methanol on lipid bilayers
Patra, M.; Salonen, E.; Terama, E.; Vattulainen, I.; Faller, R.; Lee, B.W.; Holopainen, J.M.; Karttunen, M.E.J.
2006-01-01
Extensive microscopic molecular dynamics simulations have been performed to study the effects of short-chain alcohols, methanol and ethanol, on two different fully hydrated lipid bilayer systems (POPC and DPPC) in the fluid phase at 323 K. It is found that ethanol has a stronger effect on the
Pressure in an exactly solvable model of active fluid
Marini Bettolo Marconi, Umberto; Maggi, Claudio; Paoluzzi, Matteo
2017-07-01
We consider the pressure in the steady-state regime of three stochastic models characterized by self-propulsion and persistent motion and widely employed to describe the behavior of active particles, namely, the Active Brownian particle (ABP) model, the Gaussian colored noise (GCN) model, and the unified colored noise approximation (UCNA) model. Whereas in the limit of short but finite persistence time, the pressure in the UCNA model can be obtained by different methods which have an analog in equilibrium systems, in the remaining two models only the virial route is, in general, possible. According to this method, notwithstanding each model obeys its own specific microscopic law of evolution, the pressure displays a certain universal behavior. For generic interparticle and confining potentials, we derive a formula which establishes a correspondence between the GCN and the UCNA pressures. In order to provide explicit formulas and examples, we specialize the discussion to the case of an assembly of elastic dumbbells confined to a parabolic well. By employing the UCNA we find that, for this model, the pressure determined by the thermodynamic method coincides with the pressures obtained by the virial and mechanical methods. The three methods when applied to the GCN give a pressure identical to that obtained via the UCNA. Finally, we find that the ABP virial pressure exactly agrees with the UCNA and GCN results.
Application of computational fluid dynamics modelling to an ozone ...
African Journals Online (AJOL)
The turbulence effect induced by the gas injection was modelled by increasing the level of turbulence intensity at the ozone contactor inlet. The simulated tracer response corresponded closely to the experimental results. The framework of ozone reaction modelling was subsequently investigated using values of rate ...
Mathematical modeling of impact of two metal plates using two-fluid approach
Utkin, P. S.; Fortova, S. V.
2018-01-01
The paper is devoted to the development of the two-fluid mathematical model and the computational algorithm for the modeling of two metal plates impact. In one-dimensional case the governing system of equations comprises seven equations: three conservation laws for each fluid and transfer equation for the volume fraction of one of the fluids. Both fluids are considered to be compressible and equilibrium on velocities. Pressures equilibrium is used as fluids interface condition. The system has hyperbolic type but could not be written in the conservative form because of nozzling terms in the right-hand side of the equations. The algorithm is based on the Harten-Lax-van Leer numerical flux function. The robust computation in the presence of the interface boundary is carried out due to the special pressure relaxation procedure. The problem is solved using stiffened gas equations of state for each fluid. The parameters in the equations of state are calibrated using the results of computations using wide-range equations of state for the metals. In simulations of metal plates impact we get two shocks after the initial impact that propagate to the free surfaces of the samples. The characteristics of shock waves are close (maximum relative error in characteristics of shocks is not greater than 7%) to the data from the wide-range equations of states computations.
Bert, J; Gyenge, C; Bowen, B; Reed, R; Lund, T
1997-03-01
A validated mathematical model of microvascular exchange in thermally injured humans has been used to predict the consequences of different forms of resuscitation and potential modes of action of pharmaceuticals on the distribution and transport of fluid and macromolecules in the body. Specially, for 10 and/or 50 per cent burn surface area injuries, predictions are presented for no resuscitation, resuscitation with the Parkland formula (a high fluid and low protein formulation) and resuscitation with the Evans formula (a low fluid and high protein formulation). As expected, Parkland formula resuscitation leads to interstitial accumulation of excess fluid, while use of the Evans formula leads to interstitial accumulation of excessive amounts of proteins. The hypothetical effects of pharmaceuticals on the transport barrier properties of the microvascular barrier and on the highly negative tissue pressure generated postburn in the injured tissue were also investigated. Simulations predict a relatively greater amelioration of the acute postburn edema through modulation of the postburn tissue pressure effects.
Particle size distribution models of small angle neutron scattering pattern on ferro fluids
International Nuclear Information System (INIS)
Sistin Asri Ani; Darminto; Edy Giri Rachman Putra
2009-01-01
The Fe 3 O 4 ferro fluids samples were synthesized by a co-precipitation method. The investigation of ferro fluids microstructure is known to be one of the most important problems because the presence of aggregates and their internal structure influence greatly the properties of ferro fluids. The size and the size dispersion of particle in ferro fluids were determined assuming a log normal distribution of particle radius. The scattering pattern of the measurement by small angle neutron scattering were fitted by the theoretical scattering function of two limitation models are log normal sphere distribution and fractal aggregate. Two types of particle are detected, which are presumably primary particle of 30 Armstrong in radius and secondary fractal aggregate of 200 Armstrong with polydispersity of 0.47 up to 0.53. (author)
Transport of fluid and solutes in the body I. Formulation of a mathematical model.
Gyenge, C C; Bowen, B D; Reed, R K; Bert, J L
1999-09-01
A compartmental model of short-term whole body fluid, protein, and ion distribution and transport is formulated. The model comprises four compartments: a vascular and an interstitial compartment, each with an embedded cellular compartment. The present paper discusses the assumptions on which the model is based and describes the equations that make up the model. Fluid and protein transport parameters from a previously validated model as well as ionic exchange parameters from the literature or from statistical estimation [see companion paper: C. C. Gyenge, B. D. Bowen, R. K. Reed, and J. L. Bert. Am. J. Physiol. 277 (Heart Circ. Physiol. 46): H1228-H1240, 1999] are used in formulating the model. The dynamic model has the ability to simulate 1) transport across the capillary membrane of fluid, proteins, and small ions and their distribution between the vascular and interstitial compartments; 2) the changes in extracellular osmolarity; 3) the distribution and transport of water and ions associated with each of the cellular compartments; 4) the cellular transmembrane potential; and 5) the changes of volume in the four fluid compartments. The validation and testing of the proposed model against available experimental data are presented in the companion paper.
Modeling of flow of particles in a non-Newtonian fluid using lattice Boltzmann method
DEFF Research Database (Denmark)
Skocek, Jan; Svec, Oldrich; Spangenberg, Jon
2011-01-01
is necessary. In this contribution, the model at the scale of aggregates is introduced. The conventional lattice Boltzmann method for fluid flow is enriched with the immersed boundary method with direct forcing to simulate the flow of rigid particles in a non- Newtonian liquid. Basic ingredients of the model...
Fully coupled thermal-mechanical-fluid flow model for nonliner geologic systems
International Nuclear Information System (INIS)
Hart, R.D.
1981-01-01
A single model is presented which describes fully coupled thermal-mechanical-fluid flow behavior of highly nonlinear, dynamic or quasistatic, porous geologic systems. The mathematical formulation for the model utilizes the continuum theory of mixtures to describe the multiphase nature of the system, and incremental linear constitutive theory to describe the path dependency of nonlinear material behavior. The model, incorporated in an explicit finite difference numerical procedure, was implemented in two different computer codes. A special-purpose one-dimensional code, SNEAKY, was written for initial validation of the coupling mechanisms and testing of the coupled model logic. A general purpose commercially available code, STEALTH, developed for modeling dynamic nonlinear thermomechanical processes, was modified to include fluid flow behavior and the coupling constitutive model. The fully explicit approach in the coupled calculation facilitated the inclusion of the coupling mechanisms and complex constitutive behavior. Analytical solutions pertaining to consolidation theory for soils, thermoelasticity for solids, and hydrothermal convection theory provided verification of stress and fluid flow, stress and conductive heat transfer, and heat transfer and fluid flow couplings, respectively, in the coupled model. A limited validation of the adequacy of the coupling constitutive assumptions was also performed by comparison with the physical response from two laboratory tests. Finally, the full potential of the coupled model is illustrated for geotechnical applications in energy-resource related areas. Examples in the areas of nuclear waste isolation and cut-and-fill mining are cited
International Nuclear Information System (INIS)
García-Valenzuela, A; Contreras-Tello, H; Márquez-Islas, R; Sánchez-Pérez, C
2013-01-01
We derive an optical model for the light intensity distribution around the critical angle in a standard Abbe refractometer when used on absorbing homogenous fluids. The model is developed using rigorous electromagnetic optics. The obtained formula is very simple and can be used suitably in the analysis and design of optical sensors relying on Abbe type refractometry.
Bianchi type-V cosmological models with perfect fluid and heat flow ...
Indian Academy of Sciences (India)
In the cosmology with the power-law, the solutions correspond to a cos- mological model .... where ρ is the energy density, p is the thermodynamic pressure, uµ is the four- velocity of the fluid and ..... In the first category of models, the. Universe ...
Perfect fluid Bianchi Type-I cosmological models with time varying G ...
Indian Academy of Sciences (India)
Abstract. Bianchi Type-I cosmological models containing perfect fluid with time vary- ing G and Λ have been presented. The solutions obtained represent an expansion scalar θ bearing a constant ratio to the anisotropy in the direction of space-like unit vector λi. Of the two models obtained, one has negative vacuum energy ...
Inducing morphological changes in lipid bilayer membranes with microfabricated substrates
Liu, Fangjie; Collins, Liam F.; Ashkar, Rana; Heberle, Frederick A.; Srijanto, Bernadeta R.; Collier, C. Patrick
2016-11-01
Lateral organization of lipids and proteins into distinct domains and anchoring to a cytoskeleton are two important strategies employed by biological membranes to carry out many cellular functions. However, these interactions are difficult to emulate with model systems. Here we use the physical architecture of substrates consisting of arrays of micropillars to systematically control the behavior of supported lipid bilayers - an important step in engineering model lipid membrane systems with well-defined functionalities. Competition between attractive interactions of supported lipid bilayers with the underlying substrate versus the energy cost associated with membrane bending at pillar edges can be systematically investigated as functions of pillar height and pitch, chemical functionalization of the microstructured substrate, and the type of unilamellar vesicles used for assembling the supported bilayer. Confocal fluorescent imaging and AFM measurements highlight correlations that exist between topological and mechanical properties of lipid bilayers and lateral lipid mobility in these confined environments. This study provides a baseline for future investigations into lipid domain reorganization on structured solid surfaces and scaffolds for cell growth.
DEFF Research Database (Denmark)
Yin, Chungen; Johansen, Lars Christian Riis; Rosendahl, Lasse
2010-01-01
gases model (WSGGM) is derived, which is applicable to computational fluid dynamics (CFD) modeling of both air-fuel and oxy-fuel combustion. First, a computer code is developed to evaluate the emissivity of any gas mixture at any condition by using the exponential wide band model (EWBM...
Two-Fluid Models for Simulating Dispersed Multiphase Flows-A Review
Directory of Open Access Journals (Sweden)
L.X. Zhou
2009-01-01
Full Text Available The development of two-fluid models for simulating dispersed multiphase flows (gas-particle, gas-droplet, bubble-liquid, liquid-particle flows by the present author within the last 20 years is systematically reviewed. The two-fluid models based on Reynolds expansion, time averaging and mass-weighed averaging, and also PDF transport equations are described. Different versions of two-phase turbulence models, including the unified second-order moment (USM and k-ε-kp models, the DSM-PDF model, the SOM-MC model, the nonlinear k-e-kp model, and the USM-Θ model for dense gas-particle flows and their application and experimental validation are discussed.
Czech Academy of Sciences Publication Activity Database
Vlček, Lukáš; Nezbeda, Ivo
2004-01-01
Roč. 102, č. 5 (2004), s. 485-497 ISSN 0026-8976 R&D Projects: GA ČR GA203/02/0764; GA AV ČR IAA4072303; GA AV ČR IAA4072309 Institutional research plan: CEZ:AV0Z4072921 Keywords : primitive model * association fluids * ethanol Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.406, year: 2004
International Nuclear Information System (INIS)
Tabernero, Antonio; Martin del Valle, Eva M.; Galan, Miguel A.
2011-01-01
Research highlights: → We propose a method to determine sublimation properties of solids. → Low deviations were produced calculating sublimation enthalpies and pressures. → It is a required step to determine the vaporization enthalpy of the solid. → It is possible to determine solid properties using semiempirical models solid-SCF. - Abstract: Experimental solubility data of solid-supercritical fluids have significantly increased in the last few years, and semiempirical models are emerging as one of the best choices to fit this type of data. This work establishes a methodology to calculate sublimation pressures using this type of equations. It requires the use of Bartle's equation to model equilibria data solid-supercritical fluids with the aim of determining the vaporization enthalpy of the compound. Using this method, low deviations were obtained by calculating sublimation pressures and sublimation enthalpies. The values of the sublimation pressures were subsequently used to successfully model different multiphasic equilibria, as solid-supercritical fluids and solid-solvent-supercritical fluids with the Peng-Robinson equation of state (without considering the sublimation pressure as an adjustable parameter). On the other hand, the sublimation pressures were also used to calculate solid sublimation properties and acetaminophen solvation properties in some solvents. Also, solubility data solid-supercritical fluids from 62 pharmaceuticals were fitted with different semiempirical equations (Chrastil, Kumar-Johnston and Bartle models) in order to present the values of solvation enthalpies in sc-CO 2 and vaporization enthalpies for these compounds. All of these results highlight that semiempirical models can be used for any other purpose as well as modeling (solid + supercritical fluids) equilibria.
Network modelling of fluid retention behaviour in unsaturated soils
Directory of Open Access Journals (Sweden)
Athanasiadis Ignatios
2016-01-01
Full Text Available The paper describes discrete modelling of the retention behaviour of unsaturated porous materials. A network approach is used within a statistical volume element (SVE, suitable for subsequent use in hydro-mechanical analysis and incorporation within multi-scale numerical modelling. The soil pore structure is modelled by a network of cylindrical pipes connecting spheres, with the spheres representing soil voids and the pipes representing inter-connecting throats. The locations of pipes and spheres are determined by a Voronoi tessellation of the domain. Original aspects of the modelling include a form of periodic boundary condition implementation applied for the first time to this type of network, a new pore volume scaling technique to provide more realistic modelling and a new procedure for initiating drying or wetting paths in a network model employing periodic boundary conditions. Model simulations, employing two linear cumulative probability distributions to represent the distributions of sphere and pipe radii, are presented for the retention behaviour reported from a mercury porosimetry test on a sandstone.
Models for fluid flows with heat transfer in mixed convection
International Nuclear Information System (INIS)
Mompean Munhoz da Cruz, G.
1989-06-01
Second order models were studied in order to predict turbulent flows with heat transfer. The equations used correspond to the characteristic scale of turbulent flows. The order of magnitude of the terms of the equation is analyzed by using Reynolds and Peclet numbers. The two-equation model (K-ε) is applied in the hydrodynamic study. Two models are developed for the heat transfer analysis: the Prt + teta 2 and the complete model. In the first model, the turbulent thermal diffusivity is calculated by using the Prandtl number for turbulent flow and an equation for the variance of the temperature fluctuation. The second model consists of three equations concerning: the turbulent heat flow, the variance of the temperature fluctuation and its dissipation ratio. The equations were validated by four experiments, which were characterized by the analysis of: the air flow after passing through a grid of constant average temperature and with temperature gradient, an axysymmetric air jet submitted to high and low heating temperature, the mixing (cold-hot) of two coaxial jets of sodium at high Peclet number. The complete model is shown to be the most suitable for the investigations presented [fr
Modeling Of A Fluid Catalytic Cracking (Fcc) Riser Reactor - The ...
African Journals Online (AJOL)
Journal of Modeling, Design and Management of Engineering Systems. Journal Home · ABOUT · Advanced Search · Current Issue · Archives · Journal Home > Vol 1, No 1 (2002) >. Log in or Register to get access to full text downloads.
Mathematical modelling and numerical resolution of multi-phase compressible fluid flows problems
International Nuclear Information System (INIS)
Lagoutiere, Frederic
2000-01-01
This work deals with Eulerian compressible multi-species fluid dynamics, the species being either mixed or separated (with interfaces). The document is composed of three parts. The first parts devoted to the numerical resolution of model problems: advection equation, Burgers equation, and Euler equations, in dimensions one and two. The goal is to find a precise method, especially for discontinuous initial conditions, and we develop non dissipative algorithms. They are based on a downwind finite-volume discretization under some stability constraints. The second part treats of the mathematical modelling of fluids mixtures. We construct and analyse a set of multi-temperature and multi-pressure models that are entropy, symmetrizable, hyperbolic, not ever conservative. In the third part, we apply the ideas developed in the first part (downwind discretization) to the numerical resolution of the partial differential problems we have constructed for fluids mixtures in the second part. We present some numerical results in dimensions one and two. (author) [fr
Computational electrochemo-fluid dynamics modeling in a uranium electrowinning cell
International Nuclear Information System (INIS)
Kim, K.R.; Choi, S.Y.; Kim, S.H.; Shim, J.B.; Paek, S.; Kim, I.T.
2014-01-01
A computational electrochemo-fluid dynamics model has been developed to describe the electrowinning behavior in an electrolyte stream through a planar electrode cell system. Electrode reaction of the uranium electrowinning process from a molten-salt electrolyte stream was modeled to illustrate the details of the flow-assisted mass transport of ions to the cathode. This modeling approach makes it possible to represent variations of the convective diffusion limited current density by taking into account the concentration profile at the electrode surface as a function of the flow characteristics and applied current density in a commercially available computational fluid dynamics platform. It was possible to predict the conventional current-voltage relation in addition to details of electrolyte fluid dynamics and electrochemical variables, such as the flow field, species concentrations, potential, and current distributions throughout the galvanostatic electrolysis cell. (author)
International Nuclear Information System (INIS)
Yu-Liang, Liu; Jie, Zhu; Xiao-Shu, Luo
2009-01-01
Based on the fluid flow time-delayed model proposed by Misra et al in internet congestion control, one modified time-delayed model is presented, where the influence of the communication delay on the router queue length is investigated in detail. The main advantage of the new model is that its stability domain is larger even without an extra controller. By linear stability analysis and numerical simulation, the effectiveness and feasibility of the novel model in internet congestion control are verified
Liu, Yu-Liang; Zhu, Jie; Luo, Xiao-Shu
2009-09-01
Based on the fluid flow time-delayed model proposed by Misra et al in internet congestion control, one modified time-delayed model is presented, where the influence of the communication delay on the router queue length is investigated in detail. The main advantage of the new model is that its stability domain is larger even without an extra controller. By linear stability analysis and numerical simulation, the effectiveness and feasibility of the novel model in internet congestion control are verified.
A critical review of the data requirements for fluid flow models through fractured rock
International Nuclear Information System (INIS)
Priest, S.D.
1986-01-01
The report is a comprehensive critical review of the data requirements for ten models of fluid flow through fractured rock, developed in Europe and North America. The first part of the report contains a detailed review of rock discontinuities and how their important geometrical properties can be quantified. This is followed by a brief summary of the fundamental principles in the analysis of fluid flow through two-dimensional discontinuity networks and an explanation of a new approach to the incorporation of variability and uncertainty into geotechnical models. The report also contains a review of the geological and geotechnical properties of anhydrite and granite. Of the ten fluid flow models reviewed, only three offer a realistic fracture network model for which it is feasible to obtain the input data. Although some of the other models have some valuable or novel features, there is a tendency to concentrate on the simulation of contaminant transport processes, at the expense of providing a realistic fracture network model. Only two of the models reviewed, neither of them developed in Europe, have seriously addressed the problem of analysing fluid flow in three-dimensional networks. (author)
High yield, reproducible and quasi-automated bilayer formation in a microfluidic format
Schulze Greiving-Stimberg, Verena Carolin; Bomer, Johan G.; van Uitert, I.; van den Berg, Albert; le Gac, Severine
2013-01-01
A microfluidic platform is reported for various experimentation schemes on cell membrane models and membrane proteins using a combination of electrical and optical measurements, including confocal microscopy. Bilayer lipid membranes (BLMs) are prepared in the device upon spontaneous and
Directory of Open Access Journals (Sweden)
Isabel Baeza
2012-12-01
Full Text Available Non-bilayer phospholipid arrangements are three-dimensional structures that form when anionic phospholipids with an intermediate structure of the tubular hexagonal phase II are present in a bilayer of lipids. Antibodies that recognise these arrangements have been described in patients with antiphospholipid syndrome and/or systemic lupus erythematosus and in those with preeclampsia; these antibodies have also been documented in an experimental murine model of lupus, in which they are associated with immunopathology. Here, we demonstrate the presence of antibodies against non-bilayer phospholipid arrangements containing mycolic acids in the sera of lepromatous leprosy (LL patients, but not those of healthy volunteers. The presence of antibodies that recognise these non-bilayer lipid arrangements may contribute to the hypergammaglobulinaemia observed in LL patients. We also found IgM and IgG anti-cardiolipin antibodies in 77% of the patients. This positive correlation between the anti-mycolic-non-bilayer arrangements and anti-cardiolipin antibodies suggests that both types of antibodies are produced by a common mechanism, as was demonstrated in the experimental murine model of lupus, in which there was a correlation between the anti-non-bilayer phospholipid arrangements and anti-cardiolipin antibodies. Antibodies to non-bilayer lipid arrangements may represent a previously unrecognised pathogenic mechanism in LL and the detection of these antibodies may be a tool for the early diagnosis of LL patients.
A discontinuous finite element approach to cracking in coupled poro-elastic fluid flow models
Wilson, C. R.; Spiegelman, M. W.; Evans, O.; Ulven, O. I.; Sun, W.
2016-12-01
Reaction-driven cracking is a coupled process whereby fluid-induced reactions drive large volume changes in the host rock which produce stresses leading to crack propagation and failure. This in turn generates new surface area and fluid-flow pathways for subsequent reaction in a potentially self-sustaining system. This mechanism has has been proposed for the pervasive serpentinization and carbonation of peridotite, as well as applications to mineral carbon sequestration and hydrocarbon extraction. The key computational issue in this problem is implementing algorithms that adequately model the formation of discrete fractures. Here we present models using a discontinuous finite element method for modeling fracture formation (Radovitsky et al., 2011). Cracks are introduced along facets of the mesh by the relaxation of penalty parameters once a failure criterion is met. It is fully described in the weak form of the equations, requiring no modification of the underlying mesh structure and allowing fluid properties to be easily adjusted along cracked facets. To develop and test the method, we start by implementing the algorithm for the simplified Biot equations for poro-elasticity using the finite element model assembler TerraFERMA. We consider hydro-fracking around a borehole (Grassl et al., 2015), where elevated fluid pressure in the poro-elastic solid causes it to fail radially in tension. We investigate the effects of varying the Biot coefficient and adjusting the fluid transport properties in the vicinity of the crack and compare our results to related dual-graph models (Ulven & Sun, submitted). We discuss issues arising from this method, including the formation of null spaces and appropriate preconditioning and solution strategies. Initial results suggest that this method provides a promising way to incorporate cracking into our reactive fluid flow models and future work aims to integrate the mechanical and chemical aspects of this process.
Multiple-relaxation-time lattice Boltzmann model for compressible fluids
International Nuclear Information System (INIS)
Chen Feng; Xu Aiguo; Zhang Guangcai; Li Yingjun
2011-01-01
We present an energy-conserving multiple-relaxation-time finite difference lattice Boltzmann model for compressible flows. The collision step is first calculated in the moment space and then mapped back to the velocity space. The moment space and corresponding transformation matrix are constructed according to the group representation theory. Equilibria of the nonconserved moments are chosen according to the need of recovering compressible Navier-Stokes equations through the Chapman-Enskog expansion. Numerical experiments showed that compressible flows with strong shocks can be well simulated by the present model. The new model works for both low and high speeds compressible flows. It contains more physical information and has better numerical stability and accuracy than its single-relaxation-time version. - Highlights: → We present an energy-conserving MRT finite-difference LB model. → The moment space is constructed according to the group representation theory. → The new model works for both low and high speeds compressible flows. → It has better numerical stability and wider applicable range than its SRT version.
Interstellar turbulence model : A self-consistent coupling of plasma and neutral fluids
International Nuclear Information System (INIS)
Shaikh, Dastgeer; Zank, Gary P.; Pogorelov, Nikolai
2006-01-01
We present results of a preliminary investigation of interstellar turbulence based on a self-consistent two-dimensional fluid simulation model. Our model describes a partially ionized magnetofluid interstellar medium (ISM) that couples a neutral hydrogen fluid to a plasma through charge exchange interactions and assumes that the ISM turbulent correlation scales are much bigger than the shock characteristic length-scales, but smaller than the charge exchange mean free path length-scales. The shocks have no influence on the ISM turbulent fluctuations. We find that nonlinear interactions in coupled plasma-neutral ISM turbulence are influenced substantially by charge exchange processes
Stability of stationary solutions for inflow problem on the micropolar fluid model
Yin, Haiyan
2017-04-01
In this paper, we study the asymptotic behavior of solutions to the initial boundary value problem for the micropolar fluid model in a half-line R+:=(0,∞). We prove that the corresponding stationary solutions of the small amplitude to the inflow problem for the micropolar fluid model are time asymptotically stable under small H1 perturbations in both the subsonic and degenerate cases. The microrotation velocity brings us some additional troubles compared with Navier-Stokes equations in the absence of the microrotation velocity. The proof of asymptotic stability is based on the basic energy method.
A parametric model for the global thermodynamic behavior of fluids in the critical region
International Nuclear Information System (INIS)
Luettmer-Strathmann, J.; Tang, S.; Sengers, J.V.
1992-01-01
The asymptotic thermodynamic behavior of fluids near the critical point is described by scaling laws with universal scaling functions that can be represented by parametric equations. In this paper, we derive a more general parametric model that incorporates the crossover from singular thermodynamic behavior near the critical point to regular classical thermodynamic behavior far away from the critical point. Using ethane as an example, we show that such a parametric crossover model yields an accurate representation of the thermodynamic properties of fluids in a large region around the critical point
Modelling by the SPH method of the impact of a shell containing a fluid
International Nuclear Information System (INIS)
Maurel, B.
2008-01-01
The aim of this work was to develop a numerical simulation tool using a mesh-less approach, able to simulate the deformation and the rupture of thin structures under the impact of a fluid. A model of thick mesh-less shell (Mindlin-Reissner) based on the SPH method has then been carried out. A contact algorithm has moreover been perfected for the interactions between the structure and the fluid, it is modelled too by the SPH method. These studies have been carried out and been included in the CEA Europlexus fast dynamics software. (O.M.)
Dynamic analysis of electro- and magneto-rheological fluid dampers using duct flow models
International Nuclear Information System (INIS)
Esteki, Kambiz; Bagchi, Ashutosh; Sedaghati, Ramin
2014-01-01
Magneto-rheological (MR) and electro-rheological (ER) fluid dampers provide a semi-active control mechanism for suppressing vibration responses of a structure. MR and ER fluids change their viscosity under the influence of magnetic and electrical fields, respectively, which facilitates automatic control when these fluids are used in damping devices. The existing models, namely the phenomenological models for simulating the behavior of MR and ER dampers, rely on various parameters determined experimentally by the manufacturers for each damper configuration. It is of interest to develop mechanistic models of these dampers which can be applied to various configurations so that their fundamental characteristics can be studied to develop flexible design solutions for smart structures. This paper presents a formulation for dynamic analysis of electro-rheological (ER) and magneto-rheological (MR) fluid dampers in flow and mix mode configurations under harmonic and random excitations. The procedure employs the vorticity transport equation and the regularization function to deal with the unsteady flow and nonlinear behavior of ER/MR fluid in general motion. The finite difference method has been used to solve the governing differential equations. Using the developed approach, the damping force of ER/MR dampers can be calculated under any type of excitation. (paper)
External gear pumps operating with non-Newtonian fluids: Modelling and experimental validation
Rituraj, Fnu; Vacca, Andrea
2018-06-01
External Gear Pumps are used in various industries to pump non-Newtonian viscoelastic fluids like plastics, paints, inks, etc. For both design and analysis purposes, it is often a matter of interest to understand the features of the displacing action realized by meshing of the gears and the description of the behavior of the leakages for this kind of pumps. However, very limited work can be found in literature about methodologies suitable to model such phenomena. This article describes the technique of modelling external gear pumps that operate with non-Newtonian fluids. In particular, it explains how the displacing action of the unit can be modelled using a lumped parameter approach which involves dividing fluid domain into several control volumes and internal flow connections. This work is built upon the HYGESim simulation tool, conceived by the authors' research team in the last decade, which is for the first time extended for the simulation of non-Newtonian fluids. The article also describes several comparisons between simulation results and experimental data obtained from numerous experiments performed for validation of the presented methodology. Finally, operation of external gear pump with fluids having different viscosity characteristics is discussed.
Magnetic Capture of a Molecular Biomarker from Synovial Fluid in a Rat Model of Knee Osteoarthritis.
Yarmola, Elena G; Shah, Yash; Arnold, David P; Dobson, Jon; Allen, Kyle D
2016-04-01
Biomarker development for osteoarthritis (OA) often begins in rodent models, but can be limited by an inability to aspirate synovial fluid from a rodent stifle (similar to the human knee). To address this limitation, we have developed a magnetic nanoparticle-based technology to collect biomarkers from a rodent stifle, termed magnetic capture. Using a common OA biomarker--the c-terminus telopeptide of type II collagen (CTXII)--magnetic capture was optimized in vitro using bovine synovial fluid and then tested in a rat model of knee OA. Anti-CTXII antibodies were conjugated to the surface of superparamagnetic iron oxide-containing polymeric particles. Using these anti-CTXII particles, magnetic capture was able to estimate the level of CTXII in 25 μL aliquots of bovine synovial fluid; and under controlled conditions, this estimate was unaffected by synovial fluid viscosity. Following in vitro testing, anti-CTXII particles were tested in a rat monoiodoacetate model of knee OA. CTXII could be magnetically captured from a rodent stifle without the need to aspirate fluid and showed tenfold changes in CTXII levels from OA-affected joints relative to contralateral control joints. Combined, these data demonstrate the ability and sensitivity of magnetic capture for post-mortem analysis of OA biomarkers in the rat.
Gyenge, Christina C; Bowen, Bruce D; Reed, Rolf K; Bert, Joel L
2003-02-01
This study is concerned with the formulation of a 'kidney module' linked to the plasma compartment of a larger mathematical model previously developed. Combined, these models can be used to predict, amongst other things, fluid and small ion excretion rates by the kidney; information that should prove useful in evaluating values and trends related to whole-body fluid balance for different clinical conditions to establish fluid administration protocols and for educational purposes. The renal module assumes first-order, negative-feedback responses of the kidney to changes in plasma volume and/or plasma sodium content from their normal physiological set points. Direct hormonal influences are not explicitly formulated in this empiric model. The model also considers that the renal excretion rates of small ions other than sodium are proportional to the excretion rate of sodium. As part of the model development two aspects are emphasized (1): the estimation of parameters related to the renal elimination of fluid and small ions, and (2) model validation via comparisons between the model predictions and selected experimental data. For validation, model predictions of the renal dynamics are compared with new experimental data for two cases: plasma overload resulting from external fluid infusion (e.g. infusions of iso-osmolar solutions and/or hypertonic/hyperoncotic saline solutions), and untreated hypo volemic conditions that result from the external loss of blood. The present study demonstrates that the empiric kidney module presented above can provide good short-term predictions with respect to all renal outputs considered here. Physiological implications of the model are also presented. Copyright Acta Anaesthesiologica Scandinavica 47 (2003)
Application of computational fluid dynamics modelling to an ozone ...
African Journals Online (AJOL)
driniev
2004-01-01
Jan 1, 2004 ... Turbulent kinetic energy m2·s-2 km. Disinfection rate constant for .... modelling the kinetic reactions to achieve the most efficient use of the ozone dosed to the system. The USEPA techniques .... be globally categorised into off-gas losses, consumption, and loss by self-decomposition. (Bredtmann, 1982).
Fluid structure interaction in LMFBR cores modelling by an homogenization method
International Nuclear Information System (INIS)
Brochard, D.
1988-01-01
The upper plenum of the internals of PWR, the steam generator bundle, the nuclear reactor core, may be schematically represented by a beam bundle immersed in a fluid. The dynamical study of such a system needs to take into account fluid structure interaction. A refined model at the scale of the tubes can be used but leads to a very difficult problem to solve even on the largest computers. The homogenization method allows to have an approximation of the fluid structure interaction for the global behaviour of the bundle. It consists of replacing the heterogeneous physical medium (tubes and fluid) by an equivalent homogeneous medium whose characteristics are determined from the resolution of a set of problems on the elementary cell. The aim of this paper is to present the main steps of the determination of this equivalent medium in the case of small displacements (acoustic behaviour of the fluid). Then an application to LMFBR core geometry has been realised, which shows the lowering effect on eigenfrequencies due to the fluid. Some comparisons with test results will be presented. 6 refs, 7 figs, 2 tabs
Yield shear stress model of magnetorheological fluids based on exponential distribution
International Nuclear Information System (INIS)
Guo, Chu-wen; Chen, Fei; Meng, Qing-rui; Dong, Zi-xin
2014-01-01
The magnetic chain model that considers the interaction between particles and the external magnetic field in a magnetorheological fluid has been widely accepted. Based on the chain model, a yield shear stress model of magnetorheological fluids was proposed by introducing the exponential distribution to describe the distribution of angles between the direction of magnetic field and the chain formed by magnetic particles. The main influencing factors were considered in the model, such as magnetic flux density, intensity of magnetic field, particle size, volume fraction of particles, the angle of magnetic chain, and so on. The effect of magnetic flux density on the yield shear stress was discussed. The yield stress of aqueous Fe 3 O 4 magnetreological fluids with volume fraction of 7.6% and 16.2% were measured by a device designed by ourselves. The results indicate that the proposed model can be used for calculation of yield shear stress with acceptable errors. - Highlights: • A yield shear stress model of magnetorheological fluids was proposed. • Use exponential distribution to describe the distribution of magnetic chain angles. • Experimental and predicted results were in good agreement for 2 types of MR
Hess, Julian; Wang, Yongqi
2016-11-01
A new mixture model for granular-fluid flows, which is thermodynamically consistent with the entropy principle, is presented. The extra pore pressure described by a pressure diffusion equation and the hypoplastic material behavior obeying a transport equation are taken into account. The model is applied to granular-fluid flows, using a closing assumption in conjunction with the dynamic fluid pressure to describe the pressure-like residual unknowns, hereby overcoming previous uncertainties in the modeling process. Besides the thermodynamically consistent modeling, numerical simulations are carried out and demonstrate physically reasonable results, including simple shear flow in order to investigate the vertical distribution of the physical quantities, and a mixture flow down an inclined plane by means of the depth-integrated model. Results presented give insight in the ability of the deduced model to capture the key characteristics of granular-fluid flows. We acknowledge the support of the Deutsche Forschungsgemeinschaft (DFG) for this work within the Project Number WA 2610/3-1.
Energy Technology Data Exchange (ETDEWEB)
Shokir, Eissa Mohamed El-Moghawry; El-Midany, Ayman Abdel-Hamid [Cairo University, Giza (Egypt); Al-Homadhi, Emad Souliman; Al-Mahdy, Osama [King Saud University, Riyadh (Saudi Arabia)
2014-08-15
This paper presents the application of artificial neural networks (ANN) to develop new models of liquid solvent dissolution of supercritical fluids with solutes in the presence of cosolvents. The neural network model of the liquid solvent dissolution of CO{sub 2} was built as a function of pressure, temperature, and concentrations of the solutes and cosolvents. Different experimental measurements of liquid solvent dissolution of supercritical fluids (CO{sub 2}) with solutes in the presence of cosolvents were collected. The collected data are divided into two parts. The first part was used in building the models, and the second part was used to test and validate the developed models against the Peng- Robinson equation of state. The developed ANN models showed high accuracy, within the studied variables range, in predicting the solubility of the 2-naphthol, anthracene, and aspirin in the supercritical fluid in the presence and absence of co-solvents compared to (EoS). Therefore, the developed ANN models could be considered as a good tool in predicting the solubility of tested solutes in supercritical fluid.
Rajaram, H.; Birdsell, D.; Lackey, G.; Karra, S.; Viswanathan, H. S.; Dempsey, D.
2015-12-01
The dramatic increase in the extraction of unconventional oil and gas resources using horizontal wells and hydraulic fracturing (fracking) technologies has raised concerns about potential environmental impacts. Large volumes of hydraulic fracturing fluids are injected during fracking. Incidents of stray gas occurrence in shallow aquifers overlying shale gas reservoirs have been reported; whether these are in any way related to fracking continues to be debated. Computational models serve as useful tools for evaluating potential environmental impacts. We present modeling studies of hydraulic fracturing fluid and gas migration during the various stages of well operation, production, and subsequent plugging. The fluid migration models account for overpressure in the gas reservoir, density contrast between injected fluids and brine, imbibition into partially saturated shale, and well operations. Our results highlight the importance of representing the different stages of well operation consistently. Most importantly, well suction and imbibition both play a significant role in limiting upward migration of injected fluids, even in the presence of permeable connecting pathways. In an overall assessment, our fluid migration simulations suggest very low risk to groundwater aquifers when the vertical separation from a shale gas reservoir is of the order of 1000' or more. Multi-phase models of gas migration were developed to couple flow and transport in compromised wellbores and subsurface formations. These models are useful for evaluating both short-term and long-term scenarios of stray methane release. We present simulation results to evaluate mechanisms controlling stray gas migration, and explore relationships between bradenhead pressures and the likelihood of methane release and transport.
Blocken, B.J.E.; Gualtieri, C.
2012-01-01
Computational Fluid Dynamics (CFD) is increasingly used to study a wide variety of complex Environmental Fluid Mechanics (EFM) processes, such as water flow and turbulent mixing of contaminants in rivers and estuaries and wind flow and air pollution dispersion in urban areas. However, the accuracy
Developments in numerical modelling of cardio-vascular fluid dynamics
International Nuclear Information System (INIS)
Collins, M.W.; Long, Q.; Biondi, A.; Ciofalo, M.
1998-01-01
Cardiovascular haemodynamics is a subject area of high medical importance. Over about the last ten years, as the current generation of engineering CFD codes have been developed, so they have been applied to arterial problems and have been demonstrated to be valuable and reliable research tool in this area. In this paper we firstly look back at what has been achieved, taking as examples work at TFERC, which may be regarded as typical of that of other groups. The authors then look at current studies including the coupling of solid mechanics codes with the CFD codes, the writing of specialised software to take direct clinical data from, say, magnetic resonance, and the development of clinically-useful post-processing of a virtual reality nature. Finally, for the future the authors envisage overall integrated software, comprehensive modelling of the human left ventricle, and the development of models for nano-scale physiological flows
Developments in numerical modelling of cardio-vascular fluid dynamics
Energy Technology Data Exchange (ETDEWEB)
Collins, M.W.; Long, Q. [City Univ., London (United Kingdom). Thermo-fluid Engineering Centre ; Biondi, A.; Ciofalo, M. [Palermo Univ. (Italy). Dipt. di Ingegneria Nucleare
1998-07-01
Cardiovascular haemodynamics is a subject area of high medical importance. Over about the last ten years, as the current generation of engineering CFD codes have been developed, so they have been applied to arterial problems and have been demonstrated to be valuable and reliable research tool in this area. In this paper we firstly look back at what has been achieved, taking as examples work at TFERC, which may be regarded as typical of that of other groups. The authors then look at current studies including the coupling of solid mechanics codes with the CFD codes, the writing of specialised software to take direct clinical data from, say, magnetic resonance, and the development of clinically-useful post-processing of a virtual reality nature. Finally, for the future the authors envisage overall integrated software, comprehensive modelling of the human left ventricle, and the development of models for nano-scale physiological flows.
Energy Technology Data Exchange (ETDEWEB)
Enaux, C
2007-11-15
The simulation of indirect laser implosion requires an accurate knowledge of the inter-penetration of the laser target materials turned into plasma. This work is devoted to the study of a multi-velocity multi-fluid model recently proposed by Scannapieco and Cheng (SC) to describe the inter-penetration of miscible fluids. In this document, we begin with presenting the SC model in the context of miscible fluids flow modelling. Afterwards, the mathematical analysis of the model is carried out (study of the hyperbolicity, existence of a strictly convex mathematical entropy, asymptotic analysis and diffusion limit). As a conclusion the problem is well set. Then, we focus on the problem of numerical resolution of systems of conservation laws with a relaxation source term, because SC model belongs to this class. The main difficulty of this task is to capture on a coarse grid the asymptotic behaviour of the system when the source term is stiff. The main contribution of this work lies in the proposition of a new technique, allowing us to construct a Lagrangian numerical flux taking into account the presence of the source term. This technique is applied first on the model-problem of a one-dimensional Euler system with friction, and then on the multi-fluid SC model. In both cases, we prove that the new scheme is asymptotic-preserving and entropic under a CFL-like condition. The two-dimensional extension of the scheme is done by using a standard alternate directions method. Some numerical results highlight the contribution of the new flux, compared with a standard Lagrange plus Remap scheme where the source term is processed using an operator splitting. (author)
Bulk viscous cosmological model with interacting dark fluids
International Nuclear Information System (INIS)
Kremer, Gilberto M.; Sobreiro, Octavio A.S.
2012-01-01
We study a cosmological model for a spatially flat Universe whose constituents are a dark energy field and a matter field comprising baryons and dark matter. The constituents are assumed to interact with each other, and a non-equilibrium pressure is introduced to account for irreversible processes. We take the nonequilibrium pressure to be proportional to the Hubble parameter within the framework of a first-order thermodynamic theory. The dark energy and matter fields are coupled by their barotropic indexes, which depend on the ratio between their energy densities. We adjust the free parameters of the model to optimize the fits to the Hubble parameter data. We compare the viscous model with the non-viscous one, and show that the irreversible processes cause the dark-energy and matter-density parameters to become equal and the decelerated-accelerated transition to occur at earlier times. Furthermore, the density and deceleration parameters and the distance modulus have the correct behavior, consistent with a viable scenario of the present status of the Universe . (author)
Computational multiscale modeling of fluids and solids theory and applications
Steinhauser, Martin Oliver
2017-01-01
The idea of the book is to provide a comprehensive overview of computational physics methods and techniques, that are used for materials modeling on different length and time scales. Each chapter first provides an overview of the basic physical principles which are the basis for the numerical and mathematical modeling on the respective length-scale. The book includes the micro-scale, the meso-scale and the macro-scale, and the chapters follow this classification. The book explains in detail many tricks of the trade of some of the most important methods and techniques that are used to simulate materials on the perspective levels of spatial and temporal resolution. Case studies are included to further illustrate some methods or theoretical considerations. Example applications for all techniques are provided, some of which are from the author’s own contributions to some of the research areas. The second edition has been expanded by new sections in computational models on meso/macroscopic scales for ocean and a...
Magnetoviscosity in magnetic fluids: Testing different models of the magnetization equation
Directory of Open Access Journals (Sweden)
Huei Chu Weng
2013-09-01
Full Text Available Despite a long research history, theoretical predictions for the material properties as well as the flow fields and characteristics of magnetic fluids were not well consistent with the experimental data. The lack of a universally accepted magnetization equation for accurately modeling hydrodynamics of magnetic fluids/nanofluids is particularly a major issue. In this paper, we give an overview on the continuum theory and test the six well-known models via comparisons with magnetoviscosity measurements to make clear the magnetization relaxation due to the rotation of magnetic particles and see how well they make predictions on the basis of numerical calculations. Results reveal that the ML model leads to unexplainable behavior. Moreover, the WC model with a ‘relaxation rate’ modification is found to reproduce the predictions of the MRSh model, which agree well with experimental data. The revised WC model (WCC should therefore be preferred.
Energy Technology Data Exchange (ETDEWEB)
Braz Filho, Francisco A.; Caldeira, Alexandre D.; Borges, Eduardo M., E-mail: fbraz@ieav.cta.b, E-mail: alexdc@ieav.cta.b, E-mail: eduardo@ieav.cta.b [Instituto de Estudos Avancados (IEAv/CTA), Sao Jose dos Campos, SP (Brazil). Div. de Energia Nuclear
2011-07-01
In a heated vertical channel, the subcooled flow boiling regime occurs when the bulk fluid temperature is lower than the saturation temperature, but the fluid temperature reaches the saturation point near the channel wall. This phenomenon produces a significant increase in heat flux, limited by the critical heat flux. This study is particularly important to the thermal-hydraulics analysis of pressurized water reactors. The purpose of this work is the validation of a multidimensional model to analyze the subcooled flow boiling comparing the results with experimental data found in literature. The computational fluid dynamics code FLUENT was used with Eulerian multiphase model option. The calculated values of wall temperature in the liquid-solid interface presented an excellent agreement when compared to the experimental data. Void fraction calculations presented satisfactory results in relation to the experimental data in pressures of 15, 30 and 45 bars. (author)
Fluid friction and wall viscosity of the 1D blood flow model.
Wang, Xiao-Fei; Nishi, Shohei; Matsukawa, Mami; Ghigo, Arthur; Lagrée, Pierre-Yves; Fullana, Jose-Maria
2016-02-29
We study the behavior of the pulse waves of water into a flexible tube for application to blood flow simulations. In pulse waves both fluid friction and wall viscosity are damping factors, and difficult to evaluate separately. In this paper, the coefficients of fluid friction and wall viscosity are estimated by fitting a nonlinear 1D flow model to experimental data. In the experimental setup, a distensible tube is connected to a piston pump at one end and closed at another end. The pressure and wall displacements are measured simultaneously. A good agreement between model predictions and experiments was achieved. For amplitude decrease, the effect of wall viscosity on the pulse wave has been shown as important as that of fluid viscosity. Copyright © 2016 Elsevier Ltd. All rights reserved.
International Nuclear Information System (INIS)
Braz Filho, Francisco A.; Caldeira, Alexandre D.; Borges, Eduardo M.
2011-01-01
In a heated vertical channel, the subcooled flow boiling regime occurs when the bulk fluid temperature is lower than the saturation temperature, but the fluid temperature reaches the saturation point near the channel wall. This phenomenon produces a significant increase in heat flux, limited by the critical heat flux. This study is particularly important to the thermal-hydraulics analysis of pressurized water reactors. The purpose of this work is the validation of a multidimensional model to analyze the subcooled flow boiling comparing the results with experimental data found in literature. The computational fluid dynamics code FLUENT was used with Eulerian multiphase model option. The calculated values of wall temperature in the liquid-solid interface presented an excellent agreement when compared to the experimental data. Void fraction calculations presented satisfactory results in relation to the experimental data in pressures of 15, 30 and 45 bars. (author)
Simulation of horizontal pipe two-phase slug flows using the two-fluid model
Energy Technology Data Exchange (ETDEWEB)
Ortega Malca, Arturo J. [Pontificia Univ. Catolica do Rio de Janeiro, RJ (Brazil). Dept. de Engenharia Mecanica. Nucleo de Simulacao Termohidraulica de Dutos (SIMDUT); Nieckele, Angela O. [Pontificia Univ. Catolica do Rio de Janeiro, RJ (Brazil). Dept. de Engenharia Mecanica
2005-07-01
Slug flow occurs in many engineering applications, mainly in the transport of hydrocarbon fluids in pipelines. The intermittency of slug flow causes severe unsteady loading on the pipelines carrying the fluids, which gives rise to design problems. Therefore, it is important to be able to predict the onset and development of slug flow as well as slug characteristics. The present work consists in the simulation of two-phase flow in slug pattern through horizontal pipes using the two-fluid model in its transient and one-dimensional form. The advantage of this model is that the flow field is allowed to develop naturally from a given initial conditions as part of the transient calculation; the slug evolves automatically as a product of the computed flow development. Simulations are then carried out for a large number of flow conditions that lead a slug flow. (author)
Equation-of-State Modeling of Phase Equilibria in Petroleum Fluids
DEFF Research Database (Denmark)
Jørgensen, Marianne
1996-01-01
The Soave-Redlich-Kwong (SRK) equation of state was used to investigate and develop several aspects of the modeling of natural petroleum fluids.A new method was presented for numerical evaluation of PVT experiments. This method was used in the estimation of binary interaction parameters. A comphr......The Soave-Redlich-Kwong (SRK) equation of state was used to investigate and develop several aspects of the modeling of natural petroleum fluids.A new method was presented for numerical evaluation of PVT experiments. This method was used in the estimation of binary interaction parameters....... A comphrensive study of pseudoization procedures is presented. It is concluded that the compared methods exhibit results of comparable accuracy, and that six to eight pseudocomponents are needed for optimal representation of petroleum fluids.Finally, it is investigated how well the EOS can represent the VLLE...
International Nuclear Information System (INIS)
Papin, M.
2005-06-01
This work dedicated to the study of the hypersonic re-entry of vehicles in the atmosphere crossing clouds of particles implies the study of two-fluid flow and it is shown that some developments can be applied to the two-fluid models used to describe the phase transformation occurring in a target irradiated by laser beams. The calculation of wall fluxes on hypersonic re-entry vehicles requires the modeling of the interactions with clouds. Two-fluid flows posing many physical and mathematical problems, one studies an alternative model due to Abgrall and Saurel: the discrete equation method (DEM). Three axis are chosen. The first proposes a finite volume discretization of the Navier-Stokes equations on hybrid grids adapted to the context. The second extends the DEM within a multi-fluid not-structured N-D framework. A limit study associates an original continuous model to him: it allows to modify usual two-fluid seven equations models to obtain a phasic entropy principle. In spite of good properties, the continuous description of the particles is unsuited to the problem. The last axis is a study of the follow-up of pointwise particles which does not allow realistic calculation of parietal fluxes. An original model, extending the usual hydro-erosion models, however makes it possible to evaluate rebounds, erosion of the body and wall fluxes. The appendices expose approximate and exact Riemann solvers between pure fluids, discretization of the Baer and Nunziato model, and relations describing the atmosphere, water and heat fluxes
Modeling near-road air quality using a computational fluid dynamics model, CFD-VIT-RIT.
Wang, Y Jason; Zhang, K Max
2009-10-15
It is well recognized that dilution is an important mechanism governing the near-road air pollutant concentrations. In this paper, we aim to advance our understanding of turbulent mixing mechanisms on and near roadways using computation fluid dynamics. Turbulent mixing mechanisms can be classified into three categories according to their origins: vehicle-induced turbulence (VIT), road-induced turbulence (RIT), and atmospheric boundary layer turbulence. RIT includes the turbulence generated by road embankment, road surface thermal effects, and roadside structures. Both VIT and RIT are affected by the roadway designs. We incorporate the detailed treatment of VIT and RIT into the CFD (namely CFD-VIT-RIT) and apply the model in simulating the spatial gradients of carbon monoxide near two major highways with different traffic mix and roadway configurations. The modeling results are compared to the field measurements and those from CALINE4 and CFD without considering VIT and RIT. We demonstrate that the incorporation of VIT and RIT considerably improves the modeling predictions, especially on vertical gradients and seasonal variations of carbon monoxide. Our study implies that roadway design can significantly influence the near-road air pollution. Thus we recommend that mitigating near-road air pollution through roadway designs be considered in the air quality and transportation management In addition, thanks to the rigorous representation of turbulent mixing mechanisms, CFD-VIT-RIT can become valuable tools in the roadway designs process.
A model of fluid and solute exchange in the human: validation and implications.
Bert, J L; Gyenge, C C; Bowen, B D; Reed, R K; Lund, T
2000-11-01
In order to understand better the complex, dynamic behaviour of the redistribution and exchange of fluid and solutes administered to normal individuals or to those with acute hypovolemia, mathematical models are used in addition to direct experimental investigation. Initial validation of a model developed by our group involved data from animal experiments (Gyenge, C.C., Bowen, B.D., Reed, R.K. & Bert, J.L. 1999b. Am J Physiol 277 (Heart Circ Physiol 46), H1228-H1240). For a first validation involving humans, we compare the results of simulations with a wide range of different types of data from two experimental studies. These studies involved administration of normal saline or hypertonic saline with Dextran to both normal and 10% haemorrhaged subjects. We compared simulations with data including the dynamic changes in plasma and interstitial fluid volumes VPL and VIT respectively, plasma and interstitial colloid osmotic pressures PiPL and PiIT respectively, haematocrit (Hct), plasma solute concentrations and transcapillary flow rates. The model predictions were overall in very good agreement with the wide range of experimental results considered. Based on the conditions investigated, the model was also validated for humans. We used the model both to investigate mechanisms associated with the redistribution and transport of fluid and solutes administered following a mild haemorrhage and to speculate on the relationship between the timing and amount of fluid infusions and subsequent blood volume expansion.
A blended continuous–discontinuous finite element method for solving the multi-fluid plasma model
Energy Technology Data Exchange (ETDEWEB)
Sousa, E.M., E-mail: sousae@uw.edu; Shumlak, U., E-mail: shumlak@uw.edu
2016-12-01
The multi-fluid plasma model represents electrons, multiple ion species, and multiple neutral species as separate fluids that interact through short-range collisions and long-range electromagnetic fields. The model spans a large range of temporal and spatial scales, which renders the model stiff and presents numerical challenges. To address the large range of timescales, a blended continuous and discontinuous Galerkin method is proposed, where the massive ion and neutral species are modeled using an explicit discontinuous Galerkin method while the electrons and electromagnetic fields are modeled using an implicit continuous Galerkin method. This approach is able to capture large-gradient ion and neutral physics like shock formation, while resolving high-frequency electron dynamics in a computationally efficient manner. The details of the Blended Finite Element Method (BFEM) are presented. The numerical method is benchmarked for accuracy and tested using two-fluid one-dimensional soliton problem and electromagnetic shock problem. The results are compared to conventional finite volume and finite element methods, and demonstrate that the BFEM is particularly effective in resolving physics in stiff problems involving realistic physical parameters, including realistic electron mass and speed of light. The benefit is illustrated by computing a three-fluid plasma application that demonstrates species separation in multi-component plasmas.
Bulk viscous Zel'dovich fluid model and its asymptotic behavior
Energy Technology Data Exchange (ETDEWEB)
Nair, K.R.; Mathew, Titus K. [Cochin University of Science and Technology, Department of Physics, Kochi (India)
2016-10-15
In this paper we consider a flat FLRW universe with bulk viscous Zel'dovich fluid as the cosmic component. Considering the bulk viscosity as characterized by a constant bulk viscous coefficient, we analyze the evolution of the Hubble parameter. Type Ia Supernovae data is used for constraining the model and for extracting the constant bulk viscous parameter and present the Hubble parameter. We also present the analysis of the scale factor, equation of state, and deceleration parameter. The model predicts the later time acceleration and is also compatible with the age of the universe as given by the oldest globular clusters. Study of the phase-space behavior of the model shows that a universe dominated by bulk viscous Zel'dovich fluid is stable. But the inclusion of a radiation component in addition to the Zel'dovich fluid makes the model unstable. Hence, even though the bulk viscous Zel'dovich fluid dominated universe is a feasible one, the model as such fails to predict a prior radiation dominated phase. (orig.)
International Nuclear Information System (INIS)
Liu, X.; Ortoleva, P.
1996-01-01
The use of reaction-transport modeling for reservoir assessment and management in the context of deep well waste injection is evaluated. The study is based on CIRF.A (Chemical Interaction of Rock and Fluid), a fully coupled multiphase flow, contaminant transport, and fluid and mineral reaction model. Although SWIFT (Sandia Waste-Isolation Flow and Transport Model) is often the numerical model of choice, it can not account for chemical reactions involving rock, wastes, and formation fluids and their effects on contaminant transport, rock permeability and porosity, and the integrity of the reservoir and confining units. CIRF.A can simulate all these processes. Two field cases of waste injection were simulated by CIRF.A. Both observation data and simulation results show mineral precipitation in one case and rock dissolution in another case. Precipitation and dissolution change rock porosity and permeability, and hence the pattern of fluid migration. The model is shown to be invaluable in analyzing near borehole and reservoir-scale effects during waste injection and predicting the 10,000 year fate of the waste plume. The benefits of using underpressured compartments as waste repositories were also demonstrated by CIRF.A simulations
International Nuclear Information System (INIS)
Kreider, J.F.
1985-01-01
This book is an introduction on fluid mechanics incorporating computer applications. Topics covered are as follows: brief history; what is a fluid; two classes of fluids: liquids and gases; the continuum model of a fluid; methods of analyzing fluid flows; important characteristics of fluids; fundamentals and equations of motion; fluid statics; dimensional analysis and the similarity principle; laminar internal flows; ideal flow; external laminar and channel flows; turbulent flow; compressible flow; fluid flow measurements
Development of a Cerebrospinal Fluid Lateral Reservoir Model in Rhesus Monkeys (Macaca mulatta)
Lester McCully, Cynthia M; Bacher, John; MacAllister, Rhonda P; Steffen-Smith, Emilie A; Saleem, Kadharbatcha; Thomas, Marvin L; Cruz, Rafael; Warren, Katherine E
2015-01-01
Rapid, serial, and humane collection of cerebrospinal fluid (CSF) in nonhuman primates (NHP) is an essential element of numerous research studies and is currently accomplished via two different models. The CSF reservoir model (FR) combines a catheter in the 4th ventricle with a flexible silastic reservoir to permit circulating CSF flow. The CSF lateral port model (LP) consists of a lateral ventricular catheter and an IV port that provides static access to CSF and volume restrictions on sample...
On modelling, simulation and measurement of fluid power pumps and pipelines
International Nuclear Information System (INIS)
Weddfelt, K.
1992-01-01
Pressure ripple in fluid power systems is often considered to be a nuisance. It is a major reason for vibrations and noise emission but can also cause functional problems, in extreme causes even fatigue and breakdown of pipes and connections. In order to examine this problem both the sources of pressure ripple and its transmission properties must be considered. A major source of pressure ripple in fluid power systems is positive displacement pumps, a component which is actually a source of flow ripple. A positive displacement pump can be characterized and modelled as a flow source with an internal source impedance. Special measurement techniques must be developed in order to determine these source properties experimentally. Pressure and flow ripple propagate through the pipeline of a fluid power system as waves. When the impedance of the system changes, part of the energy in the wave is being transmitted while the remaining part is reflected. Therefore, the mechanism for standing waves to occur is present, causing resonances and possibly very large pressure pulsations at certain frequencies. Destructive interference between these waves can be used to design so-called reactive attenuators, similar to an automobile muffler, which can be used to acoustically separate the source of flow ripple from the rest of the fluid power system. A mathematical model of wave transmission in pipelines is of fundamental importance to the design of acoustical sound systems. It is of equal importance when modelling and measuring the source characteristics of fluid power pumps. Such a mathematical model must include the transmission and reflection of waves as well as the frequency-dependent losses from viscous friction in the fluid. (au)
Multi-Stacked Supported Lipid Bilayer Micropatterning through Polymer Stencil Lift-Off
Directory of Open Access Journals (Sweden)
Yujie Zhu
2015-08-01
Full Text Available Complex multi-lamellar structures play a critical role in biological systems, where they are present as lamellar bodies, and as part of biological assemblies that control energy transduction processes. Multi-lamellar lipid layers not only provide interesting systems for fundamental research on membrane structure and bilayer-associated polypeptides, but can also serve as components in bioinspired materials or devices. Although the ability to pattern stacked lipid bilayers at the micron scale is of importance for these purposes, limited work has been done in developing such patterning techniques. Here, we present a simple and direct approach to pattern stacked supported lipid bilayers (SLBs using polymer stencil lift-off and the electrostatic interactions between cationic and anionic lipids. Both homogeneous and phase-segregated stacked SLB patterns were produced, demonstrating that the stacked lipid bilayers retain lateral diffusivity. We demonstrate patterned SLB stacks of up to four bilayers, where fluorescence resonance energy transfer (FRET and quenching was used to probe the interactions between lipid bilayers. Furthermore, the study of lipid phase behaviour showed that gel phase domains align between adjacent layers. The proposed stacked SLB pattern platform provides a robust model for studying lipid behaviour with a controlled number of bilayers, and an attractive means towards building functional bioinspired materials or devices.
Computational modeling for fluid flow and interfacial transport
Shyy, Wei
2006-01-01
Practical applications and examples highlight this treatment of computational modeling for handling complex flowfields. A reference for researchers and graduate students of many different backgrounds, it also functions as a text for learning essential computation elements.Drawing upon his own research, the author addresses both macroscopic and microscopic features. He begins his three-part treatment with a survey of the basic concepts of finite difference schemes for solving parabolic, elliptic, and hyperbolic partial differential equations. The second part concerns issues related to computati
Multi-physics fluid-structure interaction modelling software
CSIR Research Space (South Africa)
Malan, AG
2008-11-01
Full Text Available -structure interaction modelling software AG MALAN AND O OXTOBY CSIR Defence, Peace, Safety and Security, PO Box 395, Pretoria, 0001 Email: amalan@csir.co.za – www.csir.co.za Internationally leading aerospace company Airbus sponsored key components... of the development of the CSIR fl uid-structure interaction (FSI) software. Below are extracts from their evaluation of the devel- oped technology: “The fi eld of FSI covers a massive range of engineering problems, each with their own multi-parameter, individual...
Nader, Fadi; Bachaud, Pierre; Michel, Anthony
2015-04-01
Quantitative assessment of fluid-rock interactions and their impact on carbonate host-rocks has recently become a very attractive research topic within academic and industrial realms. Today, a common operational workflow that aims at predicting the relevant diagenetic processes on the host rocks (i.e. fluid-rock interactions) consists of three main stages: i) constructing a conceptual diagenesis model including inferred preferential fluids pathways; ii) quantifying the resulted diagenetic phases (e.g. depositing cements, dissolved and recrystallized minerals); and iii) numerical modelling of diagenetic processes. Most of the concepts of diagenetic processes operate at the larger, basin-scale, however, the description of the diagenetic phases (products of such processes) and their association with the overall petrophysical evolution of sedimentary rocks remain at reservoir (and even outcrop/ well core) scale. Conceptual models of diagenetic processes are thereafter constructed based on studying surface-exposed rocks and well cores (e.g. petrography, geochemistry, fluid inclusions). We are able to quantify the diagenetic products with various evolving techniques and on varying scales (e.g. point-counting, 2D and 3D image analysis, XRD, micro-CT and pore network models). Geochemical modelling makes use of thermodynamic and kinetic rules as well as data-bases to simulate chemical reactions and fluid-rock interactions. This can be through a 0D model, whereby a certain process is tested (e.g. the likelihood of a certain chemical reaction to operate under specific conditions). Results relate to the fluids and mineral phases involved in the chemical reactions. They could be used as arguments to support or refute proposed outcomes of fluid-rock interactions. Coupling geochemical modelling with transport (reactive transport model; 1D, 2D and 3D) is another possibility, attractive as it provides forward simulations of diagenetic processes and resulting phases. This
Nonlinear modeling and testing of magneto-rheological fluids in low shear rate squeezing flows
International Nuclear Information System (INIS)
Farjoud, Alireza; Ahmadian, Mehdi; Craft, Michael; Mahmoodi, Nima; Zhang, Xinjie
2011-01-01
A novel analytical investigation of magneto-rheological (MR) fluids in squeezing flows is performed and the results are validated with experimental test data. The squeeze flow of MR fluids has recently been of great interest to researchers. This is due to the large force capacity of MR fluids in squeeze mode compared to other modes (valve and shear modes), which makes the squeeze mode appropriate for a wide variety of applications such as impact dampers and engine mounts. Tested MR fluids were capable of providing a large range of controllable force along a short stroke in squeeze mode. A mathematical model was developed using perturbation techniques to predict closed-form solutions for velocity field, shear rate distribution, pressure distribution and squeeze force. Therefore, the obtained solutions greatly help with the design process of intelligent devices that use MR fluids in squeeze mode. The mathematical model also reduces the need for complicated and computationally expensive numerical simulations. The analytical results are validated by performing experimental tests on a novel MR device called an 'MR pouch' in an MR squeeze mode rheometer, both designed and built at CVeSS
Multiphasic fluid models and multicomponents reactive transport in porous media
International Nuclear Information System (INIS)
Juncosa, R.
2001-01-01
The design and construction of repositories for toxic waste, such as radioactive waste of medium and high activity, require tools, that will enable us to predict how the system will behave. The rational behind this Dissertation is based precisely on developing numerical models to study and predict coupled thermal, mechanical, hydrodynamic and geochemical behavior of clays intended to be used as engineered barriers in radioactive waste repository. In order to meet the requirements of the FEBEX Project (Full Scale Engineered Barriers Experiment) it was necessary to develop thermo-hydro-geochemical conceptual and numerical models (THG). For this purpose a THG code was developed to simulate and predict the THG behavior of the clay barrier. The code was created after considering two options. a) The development of a completely new code, or b) the coupling of existing codes. In this Dissertation we chose the second option, and developed a new program (FADES-CORE), which was obtained by using the FADES thermo-hydro-mechanical code (Navarro, 1997) and the CORE-LE code (Samper et al., 1998). This process entailed the modification of FADES, the addition of new subroutines for the calculation of solute transport, the modification of CORE-LE and the introduction of additional geochemical and transport processes. (Author)
Cholesterol Perturbs Lipid Bilayers Nonuniversally
International Nuclear Information System (INIS)
Pan Jianjun; Mills, Thalia T.; Tristram-Nagle, Stephanie; Nagle, John F.
2008-01-01
Cholesterol is well known to modulate the physical properties of biomembranes. Using modern x-ray scattering methods, we have studied the effects of cholesterol on the bending modulus K C , the thickness D HH , and the orientational order parameter S xray of lipid bilayers. We find that the effects are different for at least three classes of phospholipids characterized by different numbers of saturated hydrocarbon chains. Most strikingly, cholesterol strongly increases K C when both chains of the phospholipid are fully saturated but not at all when there are two monounsaturated chains
Band engineering in twisted molybdenum disulfide bilayers
Zhao, Yipeng; Liao, Chengwei; Ouyang, Gang
2018-05-01
In order to explore the theoretical relationship between interlayer spacing, interaction and band offset at the atomic level in vertically stacked two-dimensional (2D) van der Waals (vdW) structures, we propose an analytical model to address the evolution of interlayer vdW coupling with random stacking configurations in MoS2 bilayers based on the atomic-bond-relaxation correlation mechanism. We found that interlayer spacing changes substantially with respect to the orientations, and the bandgap increases from 1.53 eV (AB stacking) to 1.68 eV (AA stacking). Our results reveal that the evolution of interlayer vdW coupling originates from the interlayer interaction, leading to interlayer separations and electronic properties changing with stacking configurations. Our predictions constitute a demonstration of twist engineering the band shift in the emergent class of 2D crystals, transition-metal dichalcogenides.
A Two Unequal Fluids (TUF) model for thermalhydraulics analysis
International Nuclear Information System (INIS)
Bonalumi, R.A.; Liu, W.S.; Yousef, W.W.; Pascoe, J.
1983-01-01
TUF is an advanced two-phase flow computer code being developed at Ontario Hydro for analysis of thermalhydraulics transients in which the Homogeneous Equilibrium Model is not adequate, i.e., when the two phases (vapor and liquid) have Unequal Velocities (UV) and Unequal Temperatures (UT). The paper covers only one of the several development areas encompassed by TUF, namely its mathematical aspects. TUF's basic features include: numerical solution of mass-energy balance equations over fixed control volumes, semi-analytical solution of momentum equations at junctions (such that the solution is unconditionally stable and and has UV-UT choking and flooding limitations built-in). Two strategies are being developed: one based on the Porsching approach (for short-term use in an existing system code) and the other based on a two-step pressure field approach (computationally more efficient and unconditionally stable). Some simple test cases are presented
Prevention of Pressure Oscillations in Modeling a Cavitating Acoustic Fluid
Directory of Open Access Journals (Sweden)
B. Klenow
2010-01-01
Full Text Available Cavitation effects play an important role in the UNDEX loading of a structure. For far-field UNDEX, the structural loading is affected by the formation of local and bulk cavitation regions, and the pressure pulses resulting from the closure of the cavitation regions. A common approach to numerically modeling cavitation in far-field underwater explosions is Cavitating Acoustic Finite Elements (CAFE and more recently Cavitating Acoustic Spectral Elements (CASE. Treatment of cavitation in this manner causes spurious pressure oscillations which must be treated by a numerical damping scheme. The focus of this paper is to investigate the severity of these oscillations on the structural response and a possible improvement to CAFE, based on the original Boris and Book Flux-Corrected Transport algorithm on structured meshes [6], to limit oscillations without the energy loss associated with the current damping schemes.
Kottala, Niranjan; Abebe, Admassu; Sprockel, Omar; Bergum, James; Nikfar, Faranak; Cuitiño, Alberto M
2012-12-01
Ambient air humidity and temperature are known to influence the mechanical strength of tablets. The objective of this work is to understand the influence of processing parameters and environmental conditions (humidity and temperature) on the strength of bilayer tablets. As part of this study, bilayer tablets were compressed with different layer ratios, dwell times, layer sequences, material properties (plastic and brittle), first and second layer forces, and lubricant concentrations. Compressed tablets were stored in stability chambers controlled at predetermined conditions (40C/45%RH, 40C/75%RH) for 1, 3, and 5 days. The axial strength of the stored tablets was measured and a statistical model was developed to determine the effects of the aforementioned factors on the strength of bilayer tablets. As part of this endeavor, a full 3 × 2(4) factorial design was executed. Responses of the experiments were analyzed using PROC GLM of SAS (SAS Institute Inc, Cary, North Carolina, USA). A model was fit using all the responses to determine the significant interactions (p < 0.05). Results of this study indicated that storage conditions and storage time have significant impact on the strength of bilayer tablets. For Avicel-lactose and lactose-Avicel tablets, tablet strength decreased with the increasing humidity and storage time. But for lactose-lactose tablets, due to the formation of solid bridges upon storage, an increase in tablet strength was observed. Significant interactions were observed between processing parameters and storage conditions on the strength of bilayer tablets.
Fragmented state of lipid bilayers in water
DEFF Research Database (Denmark)
Helfrich, W.; Thimmel, J.; Klösgen, Beate Maria
1999-01-01
The bilayers of some typical biological membrane lipids such as PC and DGDG disintegrate in a large excess of water to form an optically invisible dispersive bilayer phase. `Dark bodies' can be reversibly precipitated from it by raising the temperature. The dispersive phase probably consists...
Alcohol's Effects on Lipid Bilayer Properties
Ingólfsson, Helgi I.; Andersen, Olaf S.
2011-01-01
Alcohols are known modulators of lipid bilayer properties. Their biological effects have long been attributed to their bilayer-modifying effects, but alcohols can also alter protein function through direct protein interactions. This raises the question: Do alcohol's biological actions result predominantly from direct protein-alcohol interactions or from general changes in the membrane properties? The efficacy of alcohols of various chain lengths tends to exhibit a so-called cutoff effect (i.e., increasing potency with increased chain length, which that eventually levels off). The cutoff varies depending on the assay, and numerous mechanisms have been proposed such as: limited size of the alcohol-protein interaction site, limited alcohol solubility, and a chain-length-dependent lipid bilayer-alcohol interaction. To address these issues, we determined the bilayer-modifying potency of 27 aliphatic alcohols using a gramicidin-based fluorescence assay. All of the alcohols tested (with chain lengths of 1–16 carbons) alter the bilayer properties, as sensed by a bilayer-spanning channel. The bilayer-modifying potency of the short-chain alcohols scales linearly with their bilayer partitioning; the potency tapers off at higher chain lengths, and eventually changes sign for the longest-chain alcohols, demonstrating an alcohol cutoff effect in a system that has no alcohol-binding pocket. PMID:21843475
DNA nanotechnology: Bringing lipid bilayers into shape
Howorka, Stefan
2017-07-01
Lipid bilayers form the thin and floppy membranes that define the boundary of compartments such as cells. Now, a method to control the shape and size of bilayers using DNA nanoscaffolds has been developed. Such designer materials advance synthetic biology and could find use in membrane research.
Majumdar, Alok K.; LeClair, Andre C.; Hedayat, Ali
2016-01-01
This paper presents a numerical model of pressurization of a cryogenic propellant tank for the Integrated Vehicle Fluid (IVF) system using the Generalized Fluid System Simulation Program (GFSSP). The IVF propulsion system, being developed by United Launch Alliance, uses boiloff propellants to drive thrusters for the reaction control system as well as to run internal combustion engines to develop power and drive compressors to pressurize propellant tanks. NASA Marshall Space Flight Center (MSFC) has been running tests to verify the functioning of the IVF system using a flight tank. GFSSP, a finite volume based flow network analysis software developed at MSFC, has been used to develop an integrated model of the tank and the pressurization system. This paper presents an iterative algorithm for converging the interface boundary conditions between different component models of a large system model. The model results have been compared with test data.
Two dimensional, two fluid model for sodium boiling in LMFBR fuel assemblies
International Nuclear Information System (INIS)
Granziera, M.R.; Kazimi, M.S.
1980-05-01
A two dimensional numerical model for the simulation of sodium boiling transient was developed using the two fluid set of conservation equations. A semiimplicit numerical differencing scheme capable of handling the problems associated with the ill-posedness implied by the complex characteristic roots of the two fluid problems was used, which took advantage of the dumping effect of the exchange terms. Of particular interest in the development of the model was the identification of the numerical problems caused by the strong disparity between the axial and radial dimensions of fuel assemblies. A solution to this problem was found which uses the particular geometry of fuel assemblies to accelerate the convergence of the iterative technique used in the model. Three sodium boiling experiments were simulated with the model, with good agreement between the experimental results and the model predictions
A development of two-fluid multifield model for low-quality boiling transition simulations
International Nuclear Information System (INIS)
Park, J.W.; Choi, H.B.
1998-09-01
A three-dimensional two-fluid model has been developed using ensemble-averaging techniques. The two-fluid model was closed for two-phase bubbly flows using cell averaging which accounted for the dispersed phase distribution in the region of the averaging volume. The phasic interfacial momentum exchange includes the surface stress developed on the interface which is induced by the relative motion of the phases. Since no direct mean for validating the interfacial pressure model is available, the void wae data has been used. Since the presented model has been rigorously constitute for the bubbly two-phase flow of spherical bubbles, dilute two-phase flow situations, such as the subcooled boiling, can be realistically simulated by the presented local instantaneous form of the average equations. Finally, this model should be able to predict local thermal-hydraulic conditions under which the critical heat flux occurs. (author). 25 refs., 6 figs
A molecular Debye-Hückel theory of solvation in polar fluids: An extension of the Born model
Xiao, Tiejun; Song, Xueyu
2017-12-01
A dielectric response theory of solvation beyond the conventional Born model for polar fluids is presented. The dielectric response of a polar fluid is described by a Born response mode and a linear combination of Debye-Hückel-like response modes that capture the nonlocal response of polar fluids. The Born mode is characterized by a bulk dielectric constant, while a Debye-Hückel mode is characterized by its corresponding Debye screening length. Both the bulk dielectric constant and the Debye screening lengths are determined from the bulk dielectric function of the polar fluid. The linear combination coefficients of the response modes are evaluated in a self-consistent way and can be used to evaluate the electrostatic contribution to the thermodynamic properties of a polar fluid. Our theory is applied to a dipolar hard sphere fluid as well as interaction site models of polar fluids such as water, where the electrostatic contribution to their thermodynamic properties can be obtained accurately.
International Nuclear Information System (INIS)
Lundbaek, Jens August
2006-01-01
Membrane protein function is generally regulated by the molecular composition of the host lipid bilayer. The underlying mechanisms have long remained enigmatic. Some cases involve specific molecular interactions, but very often lipids and other amphiphiles, which are adsorbed to lipid bilayers, regulate a number of structurally unrelated proteins in an apparently non-specific manner. It is well known that changes in the physical properties of a lipid bilayer (e.g., thickness or monolayer spontaneous curvature) can affect the function of an embedded protein. However, the role of such changes, in the general regulation of membrane protein function, is unclear. This is to a large extent due to lack of a generally accepted framework in which to understand the many observations. The present review summarizes studies which have demonstrated that the hydrophobic interactions between a membrane protein and the host lipid bilayer provide an energetic coupling, whereby protein function can be regulated by the bilayer elasticity. The feasibility of this 'hydrophobic coupling mechanism' has been demonstrated using the gramicidin channel, a model membrane protein, in planar lipid bilayers. Using voltage-dependent sodium channels, N-type calcium channels and GABA A receptors, it has been shown that membrane protein function in living cells can be regulated by amphiphile induced changes in bilayer elasticity. Using the gramicidin channel as a molecular force transducer, a nanotechnology to measure the elastic properties experienced by an embedded protein has been developed. A theoretical and technological framework, to study the regulation of membrane protein function by lipid bilayer elasticity, has been established
What history tells us XXX. The emergence of the fluid mosaic model
Indian Academy of Sciences (India)
Home; Journals; Journal of Biosciences; Volume 38; Issue 1. What history tells us XXX. The emergence of the fluid mosaic model of membranes. Michel Morange. Series Volume 38 Issue 1 March 2013 pp 3-7. Fulltext. Click here to view fulltext PDF. Permanent link: https://www.ias.ac.in/article/fulltext/jbsc/038/01/0003-0007 ...
Modeling the Supercritical Fluid Extraction of Essential Oils from Plant Materials
Czech Academy of Sciences Publication Activity Database
Sovová, Helena
2012-01-01
Roč. 1250, SI (2012), s. 27-33 ISSN 0021-9673 R&D Projects: GA TA ČR TA01010578 Institutional support: RVO:67985858 Keywords : supercritical fluid extraction * essential oils * model for kinetics Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 4.612, year: 2012
A fluid-coupled transmitting CMUT operated in collapse mode : Semi-analytic modeling and experiments
Pekař, Martin; van Nispen, Stephan H.M.; Fey, Rob H.B.; Shulepov, Sergei; Mihajlović, Nenad; Nijmeijer, Henk
2017-01-01
An electro-mechanical, semi-analytic, reduced-order (RO) model of a fluid-loaded transmitting capacitive-micromachined ultrasound transducer (CMUT) operated in collapse mode is developed. Simulation of static deflections, approximated by a linear combination of six mode shapes, are benchmarked
Broken-and-Intact Cell Model for Supercritical Fluid Extraction: Its Origin and Limits.
Czech Academy of Sciences Publication Activity Database
Sovová, Helena
2017-01-01
Roč. 129, SI (2017), s. 3-8 ISSN 0896-8446. [Iberoamerican Conference on Supercritical Fluids ProSCiba 2016 /4./. Vina del Mar, 28.03.2016-01.04.2016] Institutional support: RVO:67985858 Keywords : modelling * extraction kinetics * supercritical CO2 Subject RIV: CI - Industrial Chemistry, Chemical Engineering OBOR OECD: Chemical process engineering Impact factor: 2.991, year: 2016
Tytell, Eric D; Hsu, Chia-Yu; Williams, Thelma L; Cohen, Avis H; Fauci, Lisa J
2010-11-16
Animal movements result from a complex balance of many different forces. Muscles produce force to move the body; the body has inertial, elastic, and damping properties that may aid or oppose the muscle force; and the environment produces reaction forces back on the body. The actual motion is an emergent property of these interactions. To examine the roles of body stiffness, muscle activation, and fluid environment for swimming animals, a computational model of a lamprey was developed. The model uses an immersed boundary framework that fully couples the Navier-Stokes equations of fluid dynamics with an actuated, elastic body model. This is the first model at a Reynolds number appropriate for a swimming fish that captures the complete fluid-structure interaction, in which the body deforms according to both internal muscular forces and external fluid forces. Results indicate that identical muscle activation patterns can produce different kinematics depending on body stiffness, and the optimal value of stiffness for maximum acceleration is different from that for maximum steady swimming speed. Additionally, negative muscle work, observed in many fishes, emerges at higher tail beat frequencies without sensory input and may contribute to energy efficiency. Swimming fishes that can tune their body stiffness by appropriately timed muscle contractions may therefore be able to optimize the passive dynamics of their bodies to maximize peak acceleration or swimming speed.
Research Summary 3-D Computational Fluid Dynamics (CFD) Model Of The Human Respiratory System
The U.S. EPA’s Office of Research and Development (ORD) has developed a 3-D computational fluid dynamics (CFD) model of the human respiratory system that allows for the simulation of particulate based contaminant deposition and clearance, while being adaptable for age, ethnicity,...
Modelling dynamic liquid-gas systems: Extensions to the volume-of-fluid solver
CSIR Research Space (South Africa)
Heyns, Johan A
2013-06-01
Full Text Available This study presents the extension of the volume-of-fluid solver, interFoam, for improved accuracy and efficiency when modelling dynamic liquid-gas systems. Examples of these include the transportation of liquids, such as in the case of fuel carried...
CSIR Research Space (South Africa)
Malan, AG
2011-08-01
Full Text Available to modelling both forced convection as well as heat transfer and fluid flow through heterogeneous saturated porous materials via an edge-based finite volume discretization scheme. A volume-averaged set of local thermal disequilibrium governing equations...
Directory of Open Access Journals (Sweden)
Amit Saxena
2017-06-01
Full Text Available Foam has emerged as an efficient drilling fluid for the drilling of low pressure, fractured and matured reservoirs because of its the ability to reduce formation damage, fluid loss, differential sticking etc. However the compressible nature along with its complicated rheology has made its implementation a multifaceted task. Knowledge of the hydrodynamic behavior of drilling fluid within the borehole is the key behind successful implementation of drilling job. However, little effort has been made to develop the hydrodynamic models for the foam flowing with cuttings through pipes of variable diameter. In the present study, hydrodynamics of the foam fluid was investigated through the vertical smooth pipes of different pipe diameters, with variable foam properties in a flow loop system. Effect of cutting loading on pressure drop was also studied. Thus, the present investigation estimates the differential pressure loss across the pipe. The flow loop permits foam flow through 25.4 mm, 38.1 mm and 50.8 mm diameter pipes. The smaller diameter pipes are used to replicate the annular spaces between the drill string and wellbore. The developed model determines the pressure loss along the pipe and the results are compared with a number of existing models. The developed model is able to predict the experimental results more accurately.
RELAP5 two-phase fluid model and numerical scheme for economic LWR system simulation
International Nuclear Information System (INIS)
Ransom, V.H.; Wagner, R.J.; Trapp, J.A.
1981-01-01
The RELAP5 two-phase fluid model and the associated numerical scheme are summarized. The experience accrued in development of a fast running light water reactor system transient analysis code is reviewed and example of the code application are given
On a conjecture of Alley and Alder for fluids and Lorentz models
Ernst, M.H.; Beijeren, H. van
1981-01-01
We discuss a conjecture of Alley and Alder predicting a relation between the four-point and the two-point velocity autocorrelation functions for fluids and Lorentz models at sufficiently long times. If the conjecture is correct a modified Burnett coefficient can be defined, which has a finite value,
Analysis of time integration methods for the compressible two-fluid model for pipe flow simulations
B. Sanderse (Benjamin); I. Eskerud Smith (Ivar); M.H.W. Hendrix (Maurice)
2017-01-01
textabstractIn this paper we analyse different time integration methods for the two-fluid model and propose the BDF2 method as the preferred choice to simulate transient compressible multiphase flow in pipelines. Compared to the prevailing Backward Euler method, the BDF2 scheme has a significantly
Modelling and simulation of an energy transport phenomenon in a solid-fluid mixture
International Nuclear Information System (INIS)
Costa, M.L.M.; Sampaio, R.; Gama, R.M.S. da.
1989-08-01
In the present work a model for a local description of the energy transfer phenomenon in a binary (solid-fluid) saturated mixture is proposed. The heat transfer in a saturated flow (through a porous medium) between two parallel plates is simulated by using the Finite Volumes Method. (author) [pt
Computational Fluid Dynamics model of stratified atmospheric boundary-layer flow
DEFF Research Database (Denmark)
Koblitz, Tilman; Bechmann, Andreas; Sogachev, Andrey
2015-01-01
For wind resource assessment, the wind industry is increasingly relying on computational fluid dynamics models of the neutrally stratified surface-layer. So far, physical processes that are important to the whole atmospheric boundary-layer, such as the Coriolis effect, buoyancy forces and heat...