WorldWideScience

Sample records for model membranes consisting

  1. Consistent model driven architecture

    Science.gov (United States)

    Niepostyn, Stanisław J.

    2015-09-01

    The goal of the MDA is to produce software systems from abstract models in a way where human interaction is restricted to a minimum. These abstract models are based on the UML language. However, the semantics of UML models is defined in a natural language. Subsequently the verification of consistency of these diagrams is needed in order to identify errors in requirements at the early stage of the development process. The verification of consistency is difficult due to a semi-formal nature of UML diagrams. We propose automatic verification of consistency of the series of UML diagrams originating from abstract models implemented with our consistency rules. This Consistent Model Driven Architecture approach enables us to generate automatically complete workflow applications from consistent and complete models developed from abstract models (e.g. Business Context Diagram). Therefore, our method can be used to check practicability (feasibility) of software architecture models.

  2. Mathematical modelling of membrane separation

    DEFF Research Database (Denmark)

    Vinther, Frank

    This thesis concerns mathematical modelling of membrane separation. The thesis consists of introductory theory on membrane separation, equations of motion, and properties of dextran, which will be the solute species throughout the thesis. Furthermore, the thesis consist of three separate mathemat......This thesis concerns mathematical modelling of membrane separation. The thesis consists of introductory theory on membrane separation, equations of motion, and properties of dextran, which will be the solute species throughout the thesis. Furthermore, the thesis consist of three separate...... mathematical models, each with a different approach to membrane separation. The first model is a statistical model investigating the interplay between solute shape and the probability of entering the membrane. More specific the transition of solute particles from being spherical to becoming more elongated...... and the rejection coefficient. The second model is a stationary model for the flux of solvent and solute in a hollow fibre membrane. In the model we solve the time independent equations for transport of solvent and solute within the hollow fibre. Furthermore, the flux of solute and solvent through the membrane...

  3. Model cell membranes

    DEFF Research Database (Denmark)

    Günther-Pomorski, Thomas; Nylander, Tommy; Cardenas Gomez, Marite

    2014-01-01

    The high complexity of biological membranes has motivated the development and application of a wide range of model membrane systems to study biochemical and biophysical aspects of membranes in situ under well defined conditions. The aim is to provide fundamental understanding of processes control...

  4. ERBE bidirectional model consistency check

    Science.gov (United States)

    Baldwin, D. G.; Coakley, J. A., Jr.

    1986-01-01

    A short analysis is presented of Earth Radiation Budget Experiment (ERBE) errors inherent in the directional models used for data interpretation. The models were all developed on the basis of experience with the Nimbus-7 ERB experiment, which had a spatial resolution one-third that of ERBE instrumentation. A pseudo-directional model is defined to simulate the ERBE scanner data, using the assumptions that the average radiant exitance for any particular scene is independent of the viewing geometry, geographic location and time the data is collected. The directionality of the view angle and solar zenith angle is accounted for by a method of bins.

  5. From biological membranes to biomimetic model membranes

    Directory of Open Access Journals (Sweden)

    Eeman, M.

    2010-01-01

    Full Text Available Biological membranes play an essential role in the cellular protection as well as in the control and the transport of nutrients. Many mechanisms such as molecular recognition, enzymatic catalysis, cellular adhesion and membrane fusion take place into the biological membranes. In 1972, Singer et al. provided a membrane model, called fluid mosaic model, in which each leaflet of the bilayer is formed by a homogeneous environment of lipids in a fluid state including globular assembling of proteins and glycoproteins. Since its conception in 1972, many developments were brought to this model in terms of composition and molecular organization. The main development of the fluid mosaic model was made by Simons et al. (1997 and Brown et al. (1997 who suggested that membrane lipids are organized into lateral microdomains (or lipid rafts with a specific composition and a molecular dynamic that are different to the composition and the dynamic of the surrounding liquid crystalline phase. The discovery of a phase separation in the plane of the membrane has induced an explosion in the research efforts related to the biology of cell membranes but also in the development of new technologies for the study of these biological systems. Due to the high complexity of biological membranes and in order to investigate the biological processes that occur on the membrane surface or within the membrane lipid bilayer, a large number of studies are performed using biomimicking model membranes. This paper aims at revisiting the fundamental properties of biological membranes in terms of membrane composition, membrane dynamic and molecular organization, as well as at describing the most common biomimicking models that are frequently used for investigating biological processes such as membrane fusion, membrane trafficking, pore formation as well as membrane interactions at a molecular level.

  6. Application of self-consistent field theory to self-assembled bilayer membranes

    International Nuclear Information System (INIS)

    Zhang Ping-Wen; Shi An-Chang

    2015-01-01

    Bilayer membranes self-assembled from amphiphilic molecules such as lipids, surfactants, and block copolymers are ubiquitous in biological and physiochemical systems. The shape and structure of bilayer membranes depend crucially on their mechanical properties such as surface tension, bending moduli, and line tension. Understanding how the molecular properties of the amphiphiles determine the structure and mechanics of the self-assembled bilayers requires a molecularly detailed theoretical framework. The self-consistent field theory provides such a theoretical framework, which is capable of accurately predicting the mechanical parameters of self-assembled bilayer membranes. In this mini review we summarize the formulation of the self-consistent field theory, as exemplified by a model system composed of flexible amphiphilic chains dissolved in hydrophilic polymeric solvents, and its application to the study of self-assembled bilayer membranes. (topical review)

  7. Mesoscopic models of biological membranes

    DEFF Research Database (Denmark)

    Venturoli, M.; Sperotto, Maria Maddalena; Kranenburg, M.

    2006-01-01

    Phospholipids are the main components of biological membranes and dissolved in water these molecules self-assemble into closed structures, of which bilayers are the most relevant from a biological point of view. Lipid bilayers are often used, both in experimental and by theoretical investigations...... to coarse grain a biological membrane. The conclusion of this comparison is that there can be many valid different strategies, but that the results obtained by the various mesoscopic models are surprisingly consistent. A second objective of this review is to illustrate how mesoscopic models can be used...

  8. Mesoscopic models of biological membranes

    DEFF Research Database (Denmark)

    Venturoli, M.; Sperotto, Maria Maddalena; Kranenburg, M.

    2006-01-01

    Phospholipids are the main components of biological membranes and dissolved in water these molecules self-assemble into closed structures, of which bilayers are the most relevant from a biological point of view. Lipid bilayers are often used, both in experimental and by theoretical investigations......, as model systems to understand the fundamental properties of biomembranes. The properties of lipid bilayers can be studied at different time and length scales. For some properties it is sufficient to envision a membrane as an elastic sheet, while for others it is important to take into account the details...... to coarse grain a biological membrane. The conclusion of this comparison is that there can be many valid different strategies, but that the results obtained by the various mesoscopic models are surprisingly consistent. A second objective of this review is to illustrate how mesoscopic models can be used...

  9. Consistency of the MLE under mixture models

    OpenAIRE

    Chen, Jiahua

    2016-01-01

    The large-sample properties of likelihood-based statistical inference under mixture models have received much attention from statisticians. Although the consistency of the nonparametric MLE is regarded as a standard conclusion, many researchers ignore the precise conditions required on the mixture model. An incorrect claim of consistency can lead to false conclusions even if the mixture model under investigation seems well behaved. Under a finite normal mixture model, for instance, the consis...

  10. Consistent spectroscopy for a extended gauge model

    International Nuclear Information System (INIS)

    Oliveira Neto, G. de.

    1990-11-01

    The consistent spectroscopy was obtained with a Lagrangian constructed with vector fields with a U(1) group extended symmetry. As consistent spectroscopy is understood the determination of quantum physical properties described by the model in an manner independent from the possible parametrizations adopted in their description. (L.C.J.A.)

  11. Consistent Stochastic Modelling of Meteocean Design Parameters

    DEFF Research Database (Denmark)

    Sørensen, John Dalsgaard; Sterndorff, M. J.

    2000-01-01

    Consistent stochastic models of metocean design parameters and their directional dependencies are essential for reliability assessment of offshore structures. In this paper a stochastic model for the annual maximum values of the significant wave height, and the associated wind velocity, current...

  12. Consistent Estimation of Partition Markov Models

    Directory of Open Access Journals (Sweden)

    Jesús E. García

    2017-04-01

    Full Text Available The Partition Markov Model characterizes the process by a partition L of the state space, where the elements in each part of L share the same transition probability to an arbitrary element in the alphabet. This model aims to answer the following questions: what is the minimal number of parameters needed to specify a Markov chain and how to estimate these parameters. In order to answer these questions, we build a consistent strategy for model selection which consist of: giving a size n realization of the process, finding a model within the Partition Markov class, with a minimal number of parts to represent the process law. From the strategy, we derive a measure that establishes a metric in the state space. In addition, we show that if the law of the process is Markovian, then, eventually, when n goes to infinity, L will be retrieved. We show an application to model internet navigation patterns.

  13. Self-consistent asset pricing models

    Science.gov (United States)

    Malevergne, Y.; Sornette, D.

    2007-08-01

    We discuss the foundations of factor or regression models in the light of the self-consistency condition that the market portfolio (and more generally the risk factors) is (are) constituted of the assets whose returns it is (they are) supposed to explain. As already reported in several articles, self-consistency implies correlations between the return disturbances. As a consequence, the alphas and betas of the factor model are unobservable. Self-consistency leads to renormalized betas with zero effective alphas, which are observable with standard OLS regressions. When the conditions derived from internal consistency are not met, the model is necessarily incomplete, which means that some sources of risk cannot be replicated (or hedged) by a portfolio of stocks traded on the market, even for infinite economies. Analytical derivations and numerical simulations show that, for arbitrary choices of the proxy which are different from the true market portfolio, a modified linear regression holds with a non-zero value αi at the origin between an asset i's return and the proxy's return. Self-consistency also introduces “orthogonality” and “normality” conditions linking the betas, alphas (as well as the residuals) and the weights of the proxy portfolio. Two diagnostics based on these orthogonality and normality conditions are implemented on a basket of 323 assets which have been components of the S&P500 in the period from January 1990 to February 2005. These two diagnostics show interesting departures from dynamical self-consistency starting about 2 years before the end of the Internet bubble. Assuming that the CAPM holds with the self-consistency condition, the OLS method automatically obeys the resulting orthogonality and normality conditions and therefore provides a simple way to self-consistently assess the parameters of the model by using proxy portfolios made only of the assets which are used in the CAPM regressions. Finally, the factor decomposition with the

  14. Developing consistent pronunciation models for phonemic variants

    CSIR Research Space (South Africa)

    Davel, M

    2006-09-01

    Full Text Available from a lexicon containing variants. In this paper we (the authors) address both these issues by creating ‘pseudo-phonemes’ associated with sets of ‘generation restriction rules’ to model those pronunciations that are consistently realised as two or more...

  15. Modeling branching pore structures in membrane filters

    Science.gov (United States)

    Sanaei, Pejman; Cummings, Linda J.

    2016-11-01

    Membrane filters are in widespread industrial use, and mathematical models to predict their efficacy are potentially very useful, as such models can suggest design modifications to improve filter performance and lifetime. Many models have been proposed to describe particle capture by membrane filters and the associated fluid dynamics, but most such models are based on a very simple structure in which the pores of the membrane are assumed to be simple circularly-cylindrical tubes spanning the depth of the membrane. Real membranes used in applications usually have much more complex geometry, with interconnected pores which may branch and bifurcate. Pores are also typically larger on the upstream side of the membrane than on the downstream side. We present an idealized mathematical model, in which a membrane consists of a series of bifurcating pores, which decrease in size as the membrane is traversed. Feed solution is forced through the membrane by applied pressure, and particles are removed from the feed either by sieving, or by particle adsorption within pores (which shrinks them). Thus the membrane's permeability decreases as the filtration progresses, ultimately falling to zero. We discuss how filtration efficiency depends on the characteristics of the branching structure. Partial support from NSF DMS 1261596 is gratefully acknowledged.

  16. Modelling of proteins in membranes

    DEFF Research Database (Denmark)

    Sperotto, Maria Maddalena; May, S.; Baumgaertner, A.

    2006-01-01

    This review describes some recent theories and simulations of mesoscopic and microscopic models of lipid membranes with embedded or attached proteins. We summarize results supporting our understanding of phenomena for which the activities of proteins in membranes are expected to be significantly...... oppositely charged lipid membranes, lipid-induced tilting of proteins embedded in lipid bilayers, protein-induced bilayer deformations, protein insertion and assembly, and lipid-controlled functioning of membrane proteins....

  17. On "spinning" membrane models

    NARCIS (Netherlands)

    Bergshoeff, E.; Sezgin, E.; Townsend, P.K.

    1988-01-01

    Several alternative actions for a bosonic membrane have recently been proposed. We show that a linearly realized locally world-volume-supersymmetric (spinning membrane) extension of any of these actions implies an analogous extension of the standard Dirac membrane action. We further show that a

  18. Self-consistent model of confinement

    International Nuclear Information System (INIS)

    Swift, A.R.

    1988-01-01

    A model of the large-spatial-distance, zero--three-momentum, limit of QCD is developed from the hypothesis that there is an infrared singularity. Single quarks and gluons do not propagate because they have infinite energy after renormalization. The Hamiltonian formulation of the path integral is used to quantize QCD with physical, nonpropagating fields. Perturbation theory in the infrared limit is simplified by the absence of self-energy insertions and by the suppression of large classes of diagrams due to vanishing propagators. Remaining terms in the perturbation series are resummed to produce a set of nonlinear, renormalizable integral equations which fix both the confining interaction and the physical propagators. Solutions demonstrate the self-consistency of the concepts of an infrared singularity and nonpropagating fields. The Wilson loop is calculated to provide a general proof of confinement. Bethe-Salpeter equations for quark-antiquark pairs and for two gluons have finite-energy solutions in the color-singlet channel. The choice of gauge is addressed in detail. Large classes of corrections to the model are discussed and shown to support self-consistency

  19. Pulse radiolysis studies of model membranes

    International Nuclear Information System (INIS)

    Heijman, M.G.J.

    1984-01-01

    In this thesis the influence of the structure of membranes on the processes in cell membranes were examined. Different models of the membranes were evaluated. Pulse radiolysis was used as the technique to examine the membranes. (R.B.)

  20. Modelling of proteins in membranes

    DEFF Research Database (Denmark)

    Sperotto, Maria Maddalena; May, S.; Baumgaertner, A.

    2006-01-01

    This review describes some recent theories and simulations of mesoscopic and microscopic models of lipid membranes with embedded or attached proteins. We summarize results supporting our understanding of phenomena for which the activities of proteins in membranes are expected to be significantly...

  1. Drug-model membrane interactions

    International Nuclear Information System (INIS)

    Deniz, Usha K.

    1994-01-01

    In the present day world, drugs play a very important role in medicine and it is necessary to understand their mode of action at the molecular level, in order to optimise their use. Studies of drug-biomembrane interactions are essential for gaining such as understanding. However, it would be prohibitively difficult to carry out such studies, since biomembranes are highly complex systems. Hence, model membranes (made up of these lipids which are important components of biomembranes) of varying degrees of complexity are used to investigate drug-membrane interactions. Bio- as well as model-membranes undergo a chain melting transition when heated, the chains being in a disordered state above the transition point, T CM . This transition is of physiological importance since biomembranes select their components such that T CM is less than the ambient temperature but not very much so, so that membrane flexibility is ensured and porosity, avoided. The influence of drugs on the transition gives valuable clues about various parameters such as the location of the drug in the membrane. Deep insights into drug-membrane interactions are obtained by observing the effect of drugs on membrane structure and the mobilities of the various groups in lipids, near T CM . Investigation of such changes have been carried out with several drugs, using techniques such as DSC, XRD and NMR. The results indicate that the drug-membrane interaction not only depends on the nature of drug and lipids but also on the form of the model membrane - stacked bilayer or vesicles. The light that these results shed on the nature of drug-membrane interactions is discussed. (author). 13 refs., 13 figs., 1 tab

  2. Neutrons and model membranes

    Science.gov (United States)

    Fragneto, G.

    2012-11-01

    Current research in membrane protein biophysics highlights the emerging role of lipids in shaping membrane protein function. Cells and organisms have developed sophisticated mechanisms for controlling the lipid composition and many diseases are related to the failure of these mechanisms. One of the recent advances in the field is the discovery of the existence of coexisting micro-domains within a single membrane, important for regulating some signaling pathways. Many important properties of these domains remain poorly characterized. The characterization and analysis of bio-interfaces represent a challenge. Performing measurements on these few nanometer thick, soft, visco-elastic and dynamic systems is close to the limits of the available tools and methods. Neutron scattering techniques including small angle scattering, diffraction, reflectometry as well as inelastic methods are rapidly developing for these studies and are attracting an increasing number of biologists and biophysicists at large facilities. This manuscript will review some recent progress in the field and provide perspectives for future developments. It aims at highlighting neutron reflectometry as a versatile method to tackle questions dealing with the understanding and function of biomembranes and their components. The other important scattering methods are only briefly introduced.

  3. A thermodynamically consistent model for magnetic hysteresis

    International Nuclear Information System (INIS)

    Ho, Kwangsoo

    2014-01-01

    A phenomenological constitutive model is presented to describe the magnetization curve within the context of thermodynamics. Due to the phenomenological analogy between the magnetic hysteresis and the stress hysteresis, the basic structure of the proposed model comes from rate-dependent plasticity in continuum mechanics, namely viscoplasticity. The total magnetic flux density is assumed to be the sum of reversible and irreversible parts. The model introduces the evolution laws of two internal state variables to incorporate the effect of the ever-changing internal microstructure on the current state. The conception originated from viscoplasticity enables the frequency dependence of the hysteresis curve to be modeled. - Highlights: • A constitutive model is proposed within the framework of thermodynamic principles. • The basic structure of formulation is originated from the rate-dependent plasticity. • Decomposition of the magnetic flux into reversible and irreversible parts is assumed. • Constitutive model reproduces the frequency dependency of magnetic hysteresis

  4. Parametrization of model consistant expectations in the Sidrauski model

    NARCIS (Netherlands)

    Hoogenveen, Victoria; Sterken, Elmer

    1996-01-01

    This paper discusses a cubic parametrisation of model consistent expectations in a nonlinear dynamic monetary growth model. The so-called Sidrauski model links money, inflation and consumption growth. Iterative least squares combined with simulation is used to address the alleged impact of inflation

  5. Consistent Alignment of World Embedding Models

    Science.gov (United States)

    2017-03-02

    MIT Lincoln Laboratory 244 Wood Street Lexington, MA 02421, USA ABSTRACT Word embedding models offer continuous vector representations that can...generated synthetic data points. This generative process is inspired by the observation that a variety of linguistic relationships is captured by simple...as images , and genomic data. In Wang et al. (2016) manifold alignment techniques are used to discover logical relationships in supervised settings. We

  6. Self-Consistent Models of Accretion Disks

    Science.gov (United States)

    Narayan, Ramesh

    2000-01-01

    Research was carried out on several topics in the theory of astrophysical accretion flows around black holes, neutron stars and white dwarfs. The focus of our effort was the advection-dominated accretion flow (ADAF) model which the PI and his collaborators proposed and developed over the last several years. Our group completed a total of 46 papers, of which 36 are in refereed journals and 12 are in conference proceedings. All the papers have either already appeared in print or are in press.

  7. Consistency test of the standard model

    International Nuclear Information System (INIS)

    Pawlowski, M.; Raczka, R.

    1997-01-01

    If the 'Higgs mass' is not the physical mass of a real particle but rather an effective ultraviolet cutoff then a process energy dependence of this cutoff must be admitted. Precision data from at least two energy scale experimental points are necessary to test this hypothesis. The first set of precision data is provided by the Z-boson peak experiments. We argue that the second set can be given by 10-20 GeV e + e - colliders. We pay attention to the special role of tau polarization experiments that can be sensitive to the 'Higgs mass' for a sample of ∼ 10 8 produced tau pairs. We argue that such a study may be regarded as a negative selfconsistency test of the Standard Model and of most of its extensions

  8. Modeling electrically active viscoelastic membranes.

    Directory of Open Access Journals (Sweden)

    Sitikantha Roy

    Full Text Available The membrane protein prestin is native to the cochlear outer hair cell that is crucial to the ear's amplification and frequency selectivity throughout the whole acoustic frequency range. The outer hair cell exhibits interrelated dimensional changes, force generation, and electric charge transfer. Cells transfected with prestin acquire unique active properties similar to those in the native cell that have also been useful in understanding the process. Here we propose a model describing the major electromechanical features of such active membranes. The model derived from thermodynamic principles is in the form of integral relationships between the history of voltage and membrane resultants as independent variables and the charge density and strains as dependent variables. The proposed model is applied to the analysis of an active force produced by the outer hair cell in response to a harmonic electric field. Our analysis reveals the mechanism of the outer hair cell active (isometric force having an almost constant amplitude and phase up to 80 kHz. We found that the frequency-invariance of the force is a result of interplay between the electrical filtering associated with prestin and power law viscoelasticity of the surrounding membrane. Paradoxically, the membrane viscoelasticity boosts the force balancing the electrical filtering effect. We also consider various modes of electromechanical coupling in membrane with prestin associated with mechanical perturbations in the cell. We consider pressure or strains applied step-wise or at a constant rate and compute the time course of the resulting electric charge. The results obtained here are important for the analysis of electromechanical properties of membranes, cells, and biological materials as well as for a better understanding of the mechanism of hearing and the role of the protein prestin in this mechanism.

  9. Signature of a Nonharmonic Potential as Revealed from a Consistent Shape and Fluctuation Analysis of an Adherent Membrane

    Directory of Open Access Journals (Sweden)

    Daniel Schmidt

    2014-05-01

    Full Text Available The interaction of fluid membranes with a scaffold, which can be a planar surface or a more complex structure, is intrinsic to a number of systems from artificial supported bilayers and vesicles to cellular membranes. In principle, these interactions can be either discrete and protein mediated, or continuous. In the latter case, they emerge from ubiquitous intrinsic surface interaction potentials as well as nature-designed steric contributions of the fluctuating membrane or from the polymers of the glycocalyx. Despite the fact that these nonspecific potentials are omnipresent, their description has been a major challenge from experimental and theoretical points of view. Here, we show that a full understanding of the implications of the continuous interactions can be achieved only by expanding the standard superposition models commonly used to treat these types of systems, beyond the usual harmonic level of description. Supported by this expanded theoretical framework, we present three independent, yet mutually consistent, experimental approaches to measure the interaction potential strength and the membrane tension. Upon explicitly taking into account the nature of shot noise as well as the nature of finite experimental resolution, excellent agreement with the augmented theory is obtained, which finally provides a coherent view of the behavior of the membrane in the vicinity of a scaffold.

  10. Giant plasma membrane vesicles: models for understanding membrane organization.

    Science.gov (United States)

    Levental, Kandice R; Levental, Ilya

    2015-01-01

    The organization of eukaryotic membranes into functional domains continues to fascinate and puzzle cell biologists and biophysicists. The lipid raft hypothesis proposes that collective lipid interactions compartmentalize the membrane into coexisting liquid domains that are central to membrane physiology. This hypothesis has proven controversial because such structures cannot be directly visualized in live cells by light microscopy. The recent observations of liquid-liquid phase separation in biological membranes are an important validation of the raft hypothesis and enable application of the experimental toolbox of membrane physics to a biologically complex phase-separated membrane. This review addresses the role of giant plasma membrane vesicles (GPMVs) in refining the raft hypothesis and expands on the application of GPMVs as an experimental model to answer some of key outstanding problems in membrane biology. Copyright © 2015 Elsevier Inc. All rights reserved.

  11. Dynamic modeling of ultrafiltration membranes for whey separation processes

    NARCIS (Netherlands)

    Saltık, M.B.; Özkan, Leyla; Jacobs, Marc; Padt, van der Albert

    2017-01-01

    In this paper, we present a control relevant rigorous dynamic model for an ultrafiltration membrane unit in a whey separation process. The model consists of a set of differential algebraic equations and is developed for online model based applications such as model based control and process

  12. Membranes and theoretical modeling of membrane distillation: a review.

    Science.gov (United States)

    Khayet, Mohamed

    2011-05-11

    Membrane distillation (MD) is one of the non-isothermal membrane separation processes used in various applications such desalination, environmental/waste cleanup, food, etc. It is known since 1963 and is still being developed at laboratory stage for different purposes and not fully implemented in industry. An abrupt increase in the number of papers on MD membrane engineering (i.e. design, fabrication and testing in MD) is seen since only 6 years ago. The present paper offers a comprehensive MD state-of-the-art review covering a wide range of commercial membranes, MD membrane engineering, their MD performance, transport mechanisms, experimental and theoretical modeling of different MD configurations as well as recent developments in MD. Improved MD membranes with specific morphology, micro- and nano-structures are highly demanded. Membranes with different pore sizes, porosities, thicknesses and materials as well as novel structures are required in order to carry out systematic MD studies for better understanding mass transport in different MD configurations, thereby improving the MD performance and looking for MD industrialization. Copyright © 2010 Elsevier B.V. All rights reserved.

  13. Enhancement of the Computational Efficiency of Membrane Computing Models

    National Research Council Canada - National Science Library

    Das, Digendra K

    2007-01-01

    .... Membrane computing consists of cell-like membranes placed inside a unique skin membrane. In regions delimited by a membrane structure, cells are placed in multisets of objects which evolve according to evolution rules associated with the regions...

  14. Molecular Modeling of Nafion Permselective Membranes

    National Research Council Canada - National Science Library

    Vishnyakov, Aleksey M; Neimark, Alexander V

    2005-01-01

    .... We developed molecular models for Nafion and nerve agent simulant DMMP and explored microphase segregation and mechanisms of DMMP sorption and transport in hydrated membranes with K+ counterion...

  15. Membrane biofilm communities in full-scale membrane bioreactors are not randomly assembled and consist of a core microbiome

    KAUST Repository

    Matar, Gerald Kamil

    2017-06-21

    Finding efficient biofouling control strategies requires a better understanding of the microbial ecology of membrane biofilm communities in membrane bioreactors (MBRs). Studies that characterized the membrane biofilm communities in lab-and pilot-scale MBRs are numerous, yet similar studies in full-scale MBRs are limited. Also, most of these studies have characterized the mature biofilm communities with very few studies addressing early biofilm communities. In this study, five full-scale MBRs located in Seattle (Washington, U.S.A.) were selected to address two questions concerning membrane biofilm communities (early and mature): (i) Is the assembly of biofilm communities (early and mature) the result of random immigration of species from the source community (i.e. activated sludge)? and (ii) Is there a core membrane biofilm community in full-scale MBRs? Membrane biofilm (early and mature) and activated sludge (AS) samples were collected from the five MBRs, and 16S rRNA gene sequencing was applied to investigate the bacterial communities of AS and membrane biofilms (early and mature). Alpha and beta diversity measures revealed clear differences in the bacterial community structure between the AS and biofilm (early and mature) samples in the five full-scale MBRs. These differences were mainly due to the presence of large number of unique but rare operational taxonomic units (∼13% of total reads in each MBR) in each sample. In contrast, a high percentage (∼87% of total reads in each MBR) of sequence reads was shared between AS and biofilm samples in each MBR, and these shared sequence reads mainly belong to the dominant taxa in these samples. Despite the large fraction of shared sequence reads between AS and biofilm samples, simulated biofilm communities from random sampling of the respective AS community revealed that biofilm communities differed significantly from the random assemblages (P < 0.001 for each MBR), indicating that the biofilm communities (early

  16. Liquid crystal model of membrane flexoelectricity.

    Science.gov (United States)

    Rey, Alejandro D

    2006-07-01

    An interfacial liquid crystal model is formulated and used to derive a membrane shape equation that takes into account pressure, tension, bending, torsion, and flexoelectric forces. Flexoelectricity introduces electric field-induced curvature and is of relevance to the study and characterization of biological membranes. It is shown that flexoelectricity renormalizes the membrane mechanical tension, shear, and bending effects, and hence it offers diverse pathways to manipulate the membrane's shape. The derived electroelastic shape equation provides systematic guidance on how to use electric fields in membrane studies.

  17. Model Answers to Lipid Membrane Questions

    DEFF Research Database (Denmark)

    Mouritsen, O. G.

    2011-01-01

    Ever since it was discovered that biological membranes have a core of a bimolecular sheet of lipid molecules, lipid bilayers have been a model laboratory for investigating physicochemical and functional properties of biological membranes. Experimental and theoretical models help the experimental ...... to pursue. Here we review some membrane models for lipid self-assembly, monolayers, bilayers, liposomes, and lipid-protein interactions and illustrate how such models can help answering questions in modern lipid cell biology....... scientist to plan experiments and interpret data. Theoretical models are the theoretical scientist's preferred toys to make contact between membrane theory and experiments. Most importantly, models serve to shape our intuition about which membrane questions are the more fundamental and relevant ones...

  18. Standard Model Vacuum Stability and Weyl Consistency Conditions

    DEFF Research Database (Denmark)

    Antipin, Oleg; Gillioz, Marc; Krog, Jens

    2013-01-01

    At high energy the standard model possesses conformal symmetry at the classical level. This is reflected at the quantum level by relations between the different beta functions of the model. These relations are known as the Weyl consistency conditions. We show that it is possible to satisfy them...... order by order in perturbation theory, provided that a suitable coupling constant counting scheme is used. As a direct phenomenological application, we study the stability of the standard model vacuum at high energies and compare with previous computations violating the Weyl consistency conditions....

  19. Macroscopic Modeling of Polymer-Electrolyte Membranes

    Energy Technology Data Exchange (ETDEWEB)

    Weber, A.Z.; Newman, J.

    2007-04-01

    In this chapter, the various approaches for the macroscopic modeling of transport phenomena in polymer-electrolyte membranes are discussed. This includes general background and modeling methodologies, as well as exploration of the governing equations and some membrane-related topic of interest.

  20. Modeling a Consistent Behavior of PLC-Sensors

    Directory of Open Access Journals (Sweden)

    E. V. Kuzmin

    2014-01-01

    Full Text Available The article extends the cycle of papers dedicated to programming and verificatoin of PLC-programs by LTL-specification. This approach provides the availability of correctness analysis of PLC-programs by the model checking method.The model checking method needs to construct a finite model of a PLC program. For successful verification of required properties it is important to take into consideration that not all combinations of input signals from the sensors can occur while PLC works with a control object. This fact requires more advertence to the construction of the PLC-program model.In this paper we propose to describe a consistent behavior of sensors by three groups of LTL-formulas. They will affect the program model, approximating it to the actual behavior of the PLC program. The idea of LTL-requirements is shown by an example.A PLC program is a description of reactions on input signals from sensors, switches and buttons. In constructing a PLC-program model, the approach to modeling a consistent behavior of PLC sensors allows to focus on modeling precisely these reactions without an extension of the program model by additional structures for realization of a realistic behavior of sensors. The consistent behavior of sensors is taken into account only at the stage of checking a conformity of the programming model to required properties, i. e. a property satisfaction proof for the constructed model occurs with the condition that the model contains only such executions of the program that comply with the consistent behavior of sensors.

  1. Diagnosing a Strong-Fault Model by Conflict and Consistency.

    Science.gov (United States)

    Zhang, Wenfeng; Zhao, Qi; Zhao, Hongbo; Zhou, Gan; Feng, Wenquan

    2018-03-29

    The diagnosis method for a weak-fault model with only normal behaviors of each component has evolved over decades. However, many systems now demand a strong-fault models, the fault modes of which have specific behaviors as well. It is difficult to diagnose a strong-fault model due to its non-monotonicity. Currently, diagnosis methods usually employ conflicts to isolate possible fault and the process can be expedited when some observed output is consistent with the model's prediction where the consistency indicates probably normal components. This paper solves the problem of efficiently diagnosing a strong-fault model by proposing a novel Logic-based Truth Maintenance System (LTMS) with two search approaches based on conflict and consistency. At the beginning, the original a strong-fault model is encoded by Boolean variables and converted into Conjunctive Normal Form (CNF). Then the proposed LTMS is employed to reason over CNF and find multiple minimal conflicts and maximal consistencies when there exists fault. The search approaches offer the best candidate efficiency based on the reasoning result until the diagnosis results are obtained. The completeness, coverage, correctness and complexity of the proposals are analyzed theoretically to show their strength and weakness. Finally, the proposed approaches are demonstrated by applying them to a real-world domain-the heat control unit of a spacecraft-where the proposed methods are significantly better than best first and conflict directly with A* search methods.

  2. Consistent partnership formation: application to a sexually transmitted disease model.

    Science.gov (United States)

    Artzrouni, Marc; Deuchert, Eva

    2012-02-01

    We apply a consistent sexual partnership formation model which hinges on the assumption that one gender's choices drives the process (male or female dominant model). The other gender's behavior is imputed. The model is fitted to UK sexual behavior data and applied to a simple incidence model of HSV-2. With a male dominant model (which assumes accurate male reports on numbers of partners) the modeled incidences of HSV-2 are 77% higher for men and 50% higher for women than with a female dominant model (which assumes accurate female reports). Although highly stylized, our simple incidence model sheds light on the inconsistent results one can obtain with misreported data on sexual activity and age preferences. Copyright © 2011 Elsevier Inc. All rights reserved.

  3. Consistent estimation of linear panel data models with measurement error

    NARCIS (Netherlands)

    Meijer, Erik; Spierdijk, Laura; Wansbeek, Thomas

    2017-01-01

    Measurement error causes a bias towards zero when estimating a panel data linear regression model. The panel data context offers various opportunities to derive instrumental variables allowing for consistent estimation. We consider three sources of moment conditions: (i) restrictions on the

  4. Final Report Fermionic Symmetries and Self consistent Shell Model

    International Nuclear Information System (INIS)

    Zamick, Larry

    2008-01-01

    In this final report in the field of theoretical nuclear physics we note important accomplishments.We were confronted with 'anomoulous' magnetic moments by the experimetalists and were able to expain them. We found unexpected partial dynamical symmetries--completely unknown before, and were able to a large extent to expain them. The importance of a self consistent shell model was emphasized.

  5. Detection and quantification of flow consistency in business process models

    DEFF Research Database (Denmark)

    Burattin, Andrea; Bernstein, Vered; Neurauter, Manuel

    2017-01-01

    , to show how such features can be quantified into computational metrics, which are applicable to business process models. We focus on one particular feature, consistency of flow direction, and show the challenges that arise when transforming it into a precise metric. We propose three different metrics......Business process models abstract complex business processes by representing them as graphical models. Their layout, as determined by the modeler, may have an effect when these models are used. However, this effect is currently not fully understood. In order to systematically study this effect......, a basic set of measurable key visual features is proposed, depicting the layout properties that are meaningful to the human user. The aim of this research is thus twofold: first, to empirically identify key visual features of business process models which are perceived as meaningful to the user and second...

  6. Consistency checks in beam emission modeling for neutral beam injectors

    International Nuclear Information System (INIS)

    Punyapu, Bharathi; Vattipalle, Prahlad; Sharma, Sanjeev Kumar; Baruah, Ujjwal Kumar; Crowley, Brendan

    2015-01-01

    In positive neutral beam systems, the beam parameters such as ion species fractions, power fractions and beam divergence are routinely measured using Doppler shifted beam emission spectrum. The accuracy with which these parameters are estimated depend on the accuracy of the atomic modeling involved in these estimations. In this work, an effective procedure to check the consistency of the beam emission modeling in neutral beam injectors is proposed. As a first consistency check, at a constant beam voltage and current, the intensity of the beam emission spectrum is measured by varying the pressure in the neutralizer. Then, the scaling of measured intensity of un-shifted (target) and Doppler shifted intensities (projectile) of the beam emission spectrum at these pressure values are studied. If the un-shifted component scales with pressure, then the intensity of this component will be used as a second consistency check on the beam emission modeling. As a further check, the modeled beam fractions and emission cross sections of projectile and target are used to predict the intensity of the un-shifted component and then compared with the value of measured target intensity. An agreement between the predicted and measured target intensities provide the degree of discrepancy in the beam emission modeling. In order to test this methodology, a systematic analysis of Doppler shift spectroscopy data obtained on the JET neutral beam test stand data was carried out

  7. Simplified models for dark matter face their consistent completions

    Energy Technology Data Exchange (ETDEWEB)

    Gonçalves, Dorival; Machado, Pedro A. N.; No, Jose Miguel

    2017-03-01

    Simplified dark matter models have been recently advocated as a powerful tool to exploit the complementarity between dark matter direct detection, indirect detection and LHC experimental probes. Focusing on pseudoscalar mediators between the dark and visible sectors, we show that the simplified dark matter model phenomenology departs significantly from that of consistent ${SU(2)_{\\mathrm{L}} \\times U(1)_{\\mathrm{Y}}}$ gauge invariant completions. We discuss the key physics simplified models fail to capture, and its impact on LHC searches. Notably, we show that resonant mono-Z searches provide competitive sensitivities to standard mono-jet analyses at $13$ TeV LHC.

  8. Simple membrane-based model of the Min oscillator

    Science.gov (United States)

    Petrášek, Zdeněk; Schwille, Petra

    2015-04-01

    Min proteins in E. coli bacteria organize into a dynamic pattern oscillating between the two cell poles. This process identifies the middle of the cell and enables symmetric cell division. In an experimental model system consisting of a flat membrane with effectively infinite supply of proteins and energy source, the Min proteins assemble into travelling waves. Here we propose a simple one-dimensional model of the Min dynamics that, unlike the existing models, reproduces the sharp decrease of Min concentration when the majority of protein detaches from the membrane, and even the narrow MinE maximum immediately preceding the detachment. The proposed model thus provides a possible mechanism for the formation of the MinE ring known from cells. The model is restricted to one dimension, with protein interactions described by chemical kinetics allowing at most bimolecular reactions, and explicitly considering only three, membrane-bound, species. The bulk solution above the membrane is approximated as being well-mixed, with constant concentrations of all species. Unlike other models, our proposal does not require autocatalytic binding of MinD to the membrane. Instead, it is assumed that two MinE molecules are necessary to induce the dissociation of the MinD dimer and its subsequent detachment from the membrane. We investigate which reaction schemes lead to unstable homogeneous steady states and limit cycle oscillations, and how diffusion affects their stability. The suggested model qualitatively describes the shape of the Min waves observed on flat membranes, and agrees with the experimental dependence of the wave period on the MinE concentration. These results highlight the importance of MinE presence on the membrane without being bound to MinD, and of the reactions of Min proteins on the membrane.

  9. Simple membrane-based model of the Min oscillator

    International Nuclear Information System (INIS)

    Petrášek, Zdeněk; Schwille, Petra

    2015-01-01

    Min proteins in E. coli bacteria organize into a dynamic pattern oscillating between the two cell poles. This process identifies the middle of the cell and enables symmetric cell division. In an experimental model system consisting of a flat membrane with effectively infinite supply of proteins and energy source, the Min proteins assemble into travelling waves. Here we propose a simple one-dimensional model of the Min dynamics that, unlike the existing models, reproduces the sharp decrease of Min concentration when the majority of protein detaches from the membrane, and even the narrow MinE maximum immediately preceding the detachment. The proposed model thus provides a possible mechanism for the formation of the MinE ring known from cells. The model is restricted to one dimension, with protein interactions described by chemical kinetics allowing at most bimolecular reactions, and explicitly considering only three, membrane-bound, species. The bulk solution above the membrane is approximated as being well-mixed, with constant concentrations of all species. Unlike other models, our proposal does not require autocatalytic binding of MinD to the membrane. Instead, it is assumed that two MinE molecules are necessary to induce the dissociation of the MinD dimer and its subsequent detachment from the membrane. We investigate which reaction schemes lead to unstable homogeneous steady states and limit cycle oscillations, and how diffusion affects their stability. The suggested model qualitatively describes the shape of the Min waves observed on flat membranes, and agrees with the experimental dependence of the wave period on the MinE concentration. These results highlight the importance of MinE presence on the membrane without being bound to MinD, and of the reactions of Min proteins on the membrane. (paper)

  10. Modeling of a Membrane-Based Absorption Heat Pump

    Energy Technology Data Exchange (ETDEWEB)

    Woods, J.; Pellegrino, J.; Kozubal, E.; Slayzak, S.; Burch, J.

    2009-01-01

    In this paper, a membrane heat pump is proposed and analyzed. Fundamentally, the proposed heat pump consists of an aqueous CaCl{sub 2} solution flow separated from a water flow by a vapor-permeable membrane. The low activity of the solution results in a net flux of water vapor across the membrane, which heats the solution stream and cools the water stream. This mechanism upgrades water-side low-temperature heat to solution-side high-temperature heat, creating a 'temperature lift.' The modeling results show that using two membranes and an air gap instead of a single membrane increases the temperature lift by 185%. The model predicts temperature lifts for the air-gap design of 24, 16, and 6 C for inlet temperatures of 55, 35, and 15 C, respectively. Membranes with lower thermal conductivities and higher porosities improve the performance of single-membrane designs while thinner membranes improve the performance of air-gap designs. This device can be used with a solar heating system which already uses concentrated salt solutions for liquid-desiccant cooling.

  11. Artificial membranes as models in penetration investigations.

    Science.gov (United States)

    Krulikowska, M; Arct, J; Lucova, M; Cetner, B; Majewski, S

    2013-02-01

    In vitro methods used in the research of transepidermal transport of active substances generally rely on the penetration rate of test compounds through standard membranes. Models typically used in penetration experiments are specially prepared human or animal skin samples or synthetic membranes. The objective of this study was to establish if the test results for an artificial liposome membrane can be extrapolated to determine the actual bioavailability of active substances. Tests were conducted in a side-by-side diffusion cell. As model membranes, a liquid-crystal lipid membrane (LM), phospholipid membrane (PM) and pig skin sample were used. The test compounds were eight synthetic dyes used in hair colouring products. Research findings reveal that membranes composed of lipids, identical to those present in the epidermis and forming analogical liquid-crystal structures provide a close approximation of the actual bioavailability of active substances (correlation between the results obtained for pig skin and LM was significant: R = 0.95 and R = 0.93 in the presence of a 1% Sodium dodecyl sulphate in donor system). Unlike biological membranes, intercellular cement does not contain phospholipids. The observed correlation between penetration coefficients through the PM and pig skin was not significant (R = 0.82). The experiments confirm that the PM constitutes a less credible model for the studies of transepidermal transport in real life conditions. © 2012 John Wiley & Sons A/S.

  12. Structure and internal consistency of a shoulder model.

    Science.gov (United States)

    Högfors, C; Karlsson, D; Peterson, B

    1995-07-01

    A three-dimensional biomechanical model of the shoulder is developed for force predictions in 46 shoulder structures. The model is directed towards the analysis of static working situations where the load is low or moderate. Arbitrary static arm postures in the natural shoulder range may be considered, as well as different kinds of external loads including different force and moment directions. The model can predict internal forces for the shoulder muscles, for the glenohumeral, the acromioclavicular and the sternoclavicular joint as well as for the coracohumeral ligament. A solution to the statistically indeterminate force system is obtained by minimising an objective function. The default function chosen for this is the sum of the squared muscle stresses, but other objective functions may be used as well. The structure of the model is described and its ingredients discussed. The internal consistency of the model, its structural stability and the compatibility of the elements that go into it, is investigated.

  13. A Model for Membrane Fusion

    Science.gov (United States)

    Ngatchou, Annita

    2010-01-01

    Pheochromocytoma is a tumor of the adrenal gland which originates from chromaffin cells and is characterized by the secretion of excessive amounts of neurotransmitter which lead to high blood pressure and palpitations. Pheochromocytoma contain membrane bound granules that store neurotransmitter. The release of these stored molecules into the extracellular space occurs by fusion of the granule membrane with the cell plasma membrane, a process called exocytosis. The molecular mechanism of this membrane fusion is not well understood. It is proposed that the so called SNARE proteins [1] are the pillar of vesicle fusion as their cleavage by clostridial toxin notably, Botulinum neurotoxin and Tetanus toxin abrogate the secretion of neurotransmitter [2]. Here, I describe how physical principles are applied to a biological cell to explore the role of the vesicle SNARE protein synaptobrevin-2 in easing granule fusion. The data presented here suggest a paradigm according to which the movement of the C-terminal of synaptobrevin-2 disrupts the lipid bilayer to form a fusion pore through which molecules can exit.

  14. Consistency Across Standards or Standards in a New Business Model

    Science.gov (United States)

    Russo, Dane M.

    2010-01-01

    Presentation topics include: standards in a changing business model, the new National Space Policy is driving change, a new paradigm for human spaceflight, consistency across standards, the purpose of standards, danger of over-prescriptive standards, a balance is needed (between prescriptive and general standards), enabling versus inhibiting, characteristics of success-oriented standards, characteristics of success-oriented standards, and conclusions. Additional slides include NASA Procedural Requirements 8705.2B identifies human rating standards and requirements, draft health and medical standards for human rating, what's been done, government oversight models, examples of consistency from anthropometry, examples of inconsistency from air quality and appendices of government and non-governmental human factors standards.

  15. A Self-consistent Model of the Solar Tachocline

    Science.gov (United States)

    Wood, T. S.; Brummell, N. H.

    2018-02-01

    We present a local but fully nonlinear model of the solar tachocline, using three-dimensional direct numerical simulations. The tachocline forms naturally as a statistically steady balance between Coriolis, pressure, buoyancy, and Lorentz forces beneath a turbulent convection zone. Uniform rotation is maintained in the radiation zone by a primordial magnetic field, which is confined by meridional flows in the tachocline and convection zone. Such balanced dynamics has previously been found in idealized laminar models, but never in fully self-consistent numerical simulations.

  16. A Consistent Pricing Model for Index Options and Volatility Derivatives

    DEFF Research Database (Denmark)

    Kokholm, Thomas

    We propose a flexible modeling framework for the joint dynamics of an index and a set of forward variance swap rates written on this index. Our model reproduces various empirically observed properties of variance swap dynamics and enables volatility derivatives and options on the underlying index...... to be priced consistently, while allowing for jumps in volatility and returns. An affine specification using Lévy processes as building blocks leads to analytically tractable pricing formulas for volatility derivatives, such as VIX options, as well as efficient numerical methods for pricing of European options...... on the underlying asset. The model has the convenient feature of decoupling the vanilla skews from spot/volatility correlations and allowing for different conditional correlations in large and small spot/volatility moves. We show that our model can simultaneously fit prices of European options on S&P 500 across...

  17. A Consistent Pricing Model for Index Options and Volatility Derivatives

    DEFF Research Database (Denmark)

    Cont, Rama; Kokholm, Thomas

    2013-01-01

    We propose a flexible modeling framework for the joint dynamics of an index and a set of forward variance swap rates written on this index. Our model reproduces various empirically observed properties of variance swap dynamics and enables volatility derivatives and options on the underlying index...... to be priced consistently, while allowing for jumps in volatility and returns. An affine specification using Lévy processes as building blocks leads to analytically tractable pricing formulas for volatility derivatives, such as VIX options, as well as efficient numerical methods for pricing of European options...... on the underlying asset. The model has the convenient feature of decoupling the vanilla skews from spot/volatility correlations and allowing for different conditional correlations in large and small spot/volatility moves. We show that our model can simultaneously fit prices of European options on S&P 500 across...

  18. A Consistent Pricing Model for Index Options and Volatility Derivatives

    DEFF Research Database (Denmark)

    Cont, Rama; Kokholm, Thomas

    We propose and study a flexible modeling framework for the joint dynamics of an index and a set of forward variance swap rates written on this index, allowing options on forward variance swaps and options on the underlying index to be priced consistently. Our model reproduces various empirically...... observed properties of variance swap dynamics and allows for jumps in volatility and returns. An affine specification using L´evy processes as building blocks leads to analytically tractable pricing formulas for options on variance swaps as well as efficient numerical methods for pricing of European...... options on the underlying asset. The model has the convenient feature of decoupling the vanilla skews from spot/volatility correlations and allowing for different conditional correlations in large and small spot/volatility moves. We show that our model can simultaneously fit prices of European options...

  19. Interaction of elaiophylin with model bilayer membrane

    Science.gov (United States)

    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

  20. Are paleoclimate model ensembles consistent with the MARGO data synthesis?

    Directory of Open Access Journals (Sweden)

    J. C. Hargreaves

    2011-08-01

    Full Text Available We investigate the consistency of various ensembles of climate model simulations with the Multiproxy Approach for the Reconstruction of the Glacial Ocean Surface (MARGO sea surface temperature data synthesis. We discover that while two multi-model ensembles, created through the Paleoclimate Model Intercomparison Projects (PMIP and PMIP2, pass our simple tests of reliability, an ensemble based on parameter variation in a single model does not perform so well. We show that accounting for observational uncertainty in the MARGO database is of prime importance for correctly evaluating the ensembles. Perhaps surprisingly, the inclusion of a coupled dynamical ocean (compared to the use of a slab ocean does not appear to cause a wider spread in the sea surface temperature anomalies, but rather causes systematic changes with more heat transported north in the Atlantic. There is weak evidence that the sea surface temperature data may be more consistent with meridional overturning in the North Atlantic being similar for the LGM and the present day. However, the small size of the PMIP2 ensemble prevents any statistically significant results from being obtained.

  1. Development of a Consistent and Reproducible Porcine Scald Burn Model

    Science.gov (United States)

    Kempf, Margit; Kimble, Roy; Cuttle, Leila

    2016-01-01

    There are very few porcine burn models that replicate scald injuries similar to those encountered by children. We have developed a robust porcine burn model capable of creating reproducible scald burns for a wide range of burn conditions. The study was conducted with juvenile Large White pigs, creating replicates of burn combinations; 50°C for 1, 2, 5 and 10 minutes and 60°C, 70°C, 80°C and 90°C for 5 seconds. Visual wound examination, biopsies and Laser Doppler Imaging were performed at 1, 24 hours and at 3 and 7 days post-burn. A consistent water temperature was maintained within the scald device for long durations (49.8 ± 0.1°C when set at 50°C). The macroscopic and histologic appearance was consistent between replicates of burn conditions. For 50°C water, 10 minute duration burns showed significantly deeper tissue injury than all shorter durations at 24 hours post-burn (p ≤ 0.0001), with damage seen to increase until day 3 post-burn. For 5 second duration burns, by day 7 post-burn the 80°C and 90°C scalds had damage detected significantly deeper in the tissue than the 70°C scalds (p ≤ 0.001). A reliable and safe model of porcine scald burn injury has been successfully developed. The novel apparatus with continually refreshed water improves consistency of scald creation for long exposure times. This model allows the pathophysiology of scald burn wound creation and progression to be examined. PMID:27612153

  2. Large scale Bayesian nuclear data evaluation with consistent model defects

    International Nuclear Information System (INIS)

    Schnabel, G

    2015-01-01

    Monte Carlo sampling schemes of available evaluation methods. The second improvement concerns Bayesian evaluation methods based on a certain simplification of the nuclear model. These methods were restricted to the consistent evaluation of tens of thousands of observables. In this thesis, a new evaluation scheme has been developed, which is mathematically equivalent to existing methods, but allows the consistent evaluation of dozens of millions of observables. The new scheme is suited for the implementation as a database application. The realization of such an application with public access can help to accelerate the production of reliable nuclear data sets. Furthermore, in combination with the novel treatment of model deficiencies, problems of the model and the experimental data can be tracked down without user interaction. This feature can foster the development of nuclear models with high predictive power. (author) [de

  3. Linking lipid architecture to bilayer structure and mechanics using self-consistent field modelling.

    Science.gov (United States)

    Pera, H; Kleijn, J M; Leermakers, F A M

    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 kc and k̄ 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 kc and the area compression modulus kA 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 k̄ and J(0)(m) can be rationalised by the concept of Israelachivili's surfactant packing parameter, and that both k̄ and J(0)(m) change sign with relevant parameter changes. Although typically k̄ 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.

  4. 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

  5. Mean-field theory and self-consistent dynamo modeling

    International Nuclear Information System (INIS)

    Yoshizawa, Akira; Yokoi, Nobumitsu

    2001-12-01

    Mean-field theory of dynamo is discussed with emphasis on the statistical formulation of turbulence effects on the magnetohydrodynamic equations and the construction of a self-consistent dynamo model. The dynamo mechanism is sought in the combination of the turbulent residual-helicity and cross-helicity effects. On the basis of this mechanism, discussions are made on the generation of planetary magnetic fields such as geomagnetic field and sunspots and on the occurrence of flow by magnetic fields in planetary and fusion phenomena. (author)

  6. Self-consistent modeling of amorphous silicon devices

    International Nuclear Information System (INIS)

    Hack, M.

    1987-01-01

    The authors developed a computer model to describe the steady-state behaviour of a range of amorphous silicon devices. It is based on the complete set of transport equations and takes into account the important role played by the continuous distribution of localized states in the mobility gap of amorphous silicon. Using one set of parameters they have been able to self-consistently simulate the current-voltage characteristics of p-i-n (or n-i-p) solar cells under illumination, the dark behaviour of field-effect transistors, p-i-n diodes and n-i-n diodes in both the ohmic and space charge limited regimes. This model also describes the steady-state photoconductivity of amorphous silicon, in particular, its dependence on temperature, doping and illumination intensity

  7. A self-consistent spin-diffusion model for micromagnetics

    KAUST Repository

    Abert, Claas

    2016-12-17

    We propose a three-dimensional micromagnetic model that dynamically solves the Landau-Lifshitz-Gilbert equation coupled to the full spin-diffusion equation. In contrast to previous methods, we solve for the magnetization dynamics and the electric potential in a self-consistent fashion. This treatment allows for an accurate description of magnetization dependent resistance changes. Moreover, the presented algorithm describes both spin accumulation due to smooth magnetization transitions and due to material interfaces as in multilayer structures. The model and its finite-element implementation are validated by current driven motion of a magnetic vortex structure. In a second experiment, the resistivity of a magnetic multilayer structure in dependence of the tilting angle of the magnetization in the different layers is investigated. Both examples show good agreement with reference simulations and experiments respectively.

  8. Classical and Quantum Consistency of the DGP Model

    CERN Document Server

    Nicolis, A; Nicolis, Alberto; Rattazzi, Riccardo

    2004-01-01

    We study the Dvali-Gabadadze-Porrati model by the method of the boundary effective action. The truncation of this action to the bending mode \\pi consistently describes physics in a wide range of regimes both at the classical and at the quantum level. The Vainshtein effect, which restores agreement with precise tests of general relativity, follows straightforwardly. We give a simple and general proof of stability, i.e. absence of ghosts in the fluctuations, valid for most of the relevant cases, like for instance the spherical source in asymptotically flat space. However we confirm that around certain interesting self-accelerating cosmological solutions there is a ghost. We consider the issue of quantum corrections. Around flat space \\pi becomes strongly coupled below a macroscopic length of 1000 km, thus impairing the predictivity of the model. Indeed the tower of higher dimensional operators which is expected by a generic UV completion of the model limits predictivity at even larger length scales. We outline ...

  9. Thermodynamically consistent mesoscopic model of the ferro/paramagnetic transition

    Czech Academy of Sciences Publication Activity Database

    Benešová, Barbora; Kružík, Martin; Roubíček, Tomáš

    2013-01-01

    Roč. 64, Č. 1 (2013), s. 1-28 ISSN 0044-2275 R&D Projects: GA AV ČR IAA100750802; GA ČR GA106/09/1573; GA ČR GAP201/10/0357 Grant - others:GA ČR(CZ) GA106/08/1397; GA MŠk(CZ) LC06052 Program:GA; LC Institutional support: RVO:67985556 Keywords : ferro-para-magnetism * evolution * thermodynamics Subject RIV: BA - General Mathematics; BA - General Mathematics (UT-L) Impact factor: 1.214, year: 2013 http://library.utia.cas.cz/separaty/2012/MTR/kruzik-thermodynamically consistent mesoscopic model of the ferro-paramagnetic transition.pdf

  10. Self-Consistent Dynamical Model of the Broad Line Region

    International Nuclear Information System (INIS)

    Czerny, Bozena; Li, Yan-Rong; Sredzinska, Justyna; Hryniewicz, Krzysztof; Panda, Swayam; Wildy, Conor; Karas, Vladimir

    2017-01-01

    We develop a self-consistent description of the Broad Line Region based on the concept of a failed wind powered by radiation pressure acting on a dusty accretion disk atmosphere in Keplerian motion. The material raised high above the disk is illuminated, dust evaporates, and the matter falls back toward the disk. This material is the source of emission lines. The model predicts the inner and outer radius of the region, the cloud dynamics under the dust radiation pressure and, subsequently, the gravitational field of the central black hole, which results in asymmetry between the rise and fall. Knowledge of the dynamics allows us to predict the shapes of the emission lines as functions of the basic parameters of an active nucleus: black hole mass, accretion rate, black hole spin (or accretion efficiency) and the viewing angle with respect to the symmetry axis. Here we show preliminary results based on analytical approximations to the cloud motion.

  11. Consistent constraints on the Standard Model Effective Field Theory

    Energy Technology Data Exchange (ETDEWEB)

    Berthier, Laure; Trott, Michael [Niels Bohr International Academy, University of Copenhagen,Blegdamsvej 17, DK-2100 Copenhagen (Denmark)

    2016-02-10

    We develop the global constraint picture in the (linear) effective field theory generalisation of the Standard Model, incorporating data from detectors that operated at PEP, PETRA, TRISTAN, SpS, Tevatron, SLAC, LEPI and LEP II, as well as low energy precision data. We fit one hundred and three observables. We develop a theory error metric for this effective field theory, which is required when constraints on parameters at leading order in the power counting are to be pushed to the percent level, or beyond, unless the cut off scale is assumed to be large, Λ≳ 3 TeV. We more consistently incorporate theoretical errors in this work, avoiding this assumption, and as a direct consequence bounds on some leading parameters are relaxed. We show how an S,T analysis is modified by the theory errors we include as an illustrative example.

  12. Self-Consistent Dynamical Model of the Broad Line Region

    Energy Technology Data Exchange (ETDEWEB)

    Czerny, Bozena [Center for Theoretical Physics, Polish Academy of Sciences, Warsaw (Poland); Li, Yan-Rong [Key Laboratory for Particle Astrophysics, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing (China); Sredzinska, Justyna; Hryniewicz, Krzysztof [Copernicus Astronomical Center, Polish Academy of Sciences, Warsaw (Poland); Panda, Swayam [Center for Theoretical Physics, Polish Academy of Sciences, Warsaw (Poland); Copernicus Astronomical Center, Polish Academy of Sciences, Warsaw (Poland); Wildy, Conor [Center for Theoretical Physics, Polish Academy of Sciences, Warsaw (Poland); Karas, Vladimir, E-mail: bcz@cft.edu.pl [Astronomical Institute, Czech Academy of Sciences, Prague (Czech Republic)

    2017-06-22

    We develop a self-consistent description of the Broad Line Region based on the concept of a failed wind powered by radiation pressure acting on a dusty accretion disk atmosphere in Keplerian motion. The material raised high above the disk is illuminated, dust evaporates, and the matter falls back toward the disk. This material is the source of emission lines. The model predicts the inner and outer radius of the region, the cloud dynamics under the dust radiation pressure and, subsequently, the gravitational field of the central black hole, which results in asymmetry between the rise and fall. Knowledge of the dynamics allows us to predict the shapes of the emission lines as functions of the basic parameters of an active nucleus: black hole mass, accretion rate, black hole spin (or accretion efficiency) and the viewing angle with respect to the symmetry axis. Here we show preliminary results based on analytical approximations to the cloud motion.

  13. Simulation Model of Membrane Gas Separator Using Aspen Custom Modeler

    Energy Technology Data Exchange (ETDEWEB)

    Song, Dong-keun [Korea Institute of Machinery and Materials, Daejeon (Korea, Republic of); Shin, Gahui; Yun, Jinwon; Yu, Sangseok [Chungnam Nat’l Univ., Daejeon (Korea, Republic of)

    2016-12-15

    Membranes are used to separate pure gas from gas mixtures. In this study, three different types of mass transport through a membrane were developed in order to investigate the gas separation capabilities of a membrane. The three different models typically used are a lumped model, a multi-cell model, and a discretization model. Despite the multi-cell model producing similar results to a discretization model, the discretization model was selected for this investigation, due to the cell number dependence of a multi-cell model. The mass transport model was then used to investigate the effects of pressure difference, flow rate, total exposed area, and permeability. The results showed that the pressure difference increased with the stage cut, but the selectivity was a trade-off for the increasing pressure difference. Additionally, even though permeability is an important parameter, the selectivity and stage cut of the membrane converged as permeability increased.

  14. Interaction of Mastoparan with Model Membranes

    Science.gov (United States)

    Haloot, Justin

    2010-10-01

    The use of antimicrobial agents began during the 20th century to reduce the effects of infectious diseases. Since the 1990s, antimicrobial resistance has become an ever-increasing global problem. Our laboratory recently found that small antimicrobial peptides (AMPs) have potent antimicrobial activity against a wide range of Gram-negative and Gram-positive organisms including antibiotic resistant organisms. These AMPs are potential therapeutic agents against the growing problem of antimicrobial resistance. AMPs are small peptides produced by plants, insects and animals. Several hypotheses concede that these peptides cause some type of structural perturbations and increased membrane permeability in bacteria however, how AMPs kill bacteria remains unclear. The goal of this study was to design an assay that would allow us to evaluate and monitor the pore forming ability of an AMP, Mastoparan, on model membrane structures called liposomes. Development of this model will facilitate the study of how mastoparan and related AMPs interact with the bacterial membrane.

  15. Modelling Of Manufacturing Processes With Membranes

    Science.gov (United States)

    Crăciunean, Daniel Cristian; Crăciunean, Vasile

    2015-07-01

    The current objectives to increase the standards of quality and efficiency in manufacturing processes can be achieved only through the best combination of inputs, independent of spatial distance between them. This paper proposes modelling production processes based on membrane structures introduced in [4]. Inspired from biochemistry, membrane computation [4] is based on the concept of membrane represented in its formalism by the mathematical concept of multiset. The manufacturing process is the evolution of a super cell system from its initial state according to the given actions of aggregation. In this paper we consider that the atomic production unit of the process is the action. The actions and the resources on which the actions are produced, are distributed in a virtual network of companies working together. The destination of the output resources is specified by corresponding output events.

  16. Liquid immiscibility in model bilayer lipid membranes

    Science.gov (United States)

    Veatch, Sarah L.

    There is growing evidence that cell plasma membranes are laterally organized into "raft" regions in which particular lipids and proteins are concentrated. These domains have sub-micron dimensions and have been implicated in vital cell functions. Similar liquid domains are observed in model bilayer membrane mixtures that mimick cellular lipid compositions. In model membranes, domains can be large (microns) and can readily form in the absence of proteins. This thesis presents studies of liquid immiscibility in model membrane systems using two experimental methods. By fluorescence microscopy, this thesis documents that miscibility transitions occur in a wide variety of ternary lipid mixtures containing high melting temperature (saturated) lipids, low melting temperature (usually unsaturated) lipids, and cholesterol. I have constructed detailed miscibility phase diagrams for three separate ternary lipid mixtures (DOPC/DPPC/Chol, DOPC/PSM/Chol, and POPC/PSM/Chol). Phase separation is also observed in membranes of lipids extracted from human erythrocytes. NMR experiments probe lipid order and verify the coexistence of a saturated lipid and cholesterol rich liquid ordered (Lo) phase with a more disordered, unsaturated lipid rich liquid crystalline (Lalpha) phase at low temperatures. These experiments also find multiple thermodynamic transitions and lipid organization on different length-scales. This complexity is revealed because fluorescence microscopy and NMR probe lipid order at different length-scales (>1mum vs. ˜100nm). NMR detects small domains (˜80nm) at temperatures just below the miscibility transition, even though micron-scale domains are observed by fluorescent microscopy. NMR does detect large-scale ("100nm) demixing, but at a lower temperature. In addition, it has long been known that >10nm length-scale structure is present in many lipid mixtures containing cholesterol and at least one additional lipid species, though it is shown here that only a subset of

  17. Self-consistent Modeling of Elastic Anisotropy in Shale

    Science.gov (United States)

    Kanitpanyacharoen, W.; Wenk, H.; Matthies, S.; Vasin, R.

    2012-12-01

    Elastic anisotropy in clay-rich sedimentary rocks has increasingly received attention because of significance for prospecting of petroleum deposits, as well as seals in the context of nuclear waste and CO2 sequestration. The orientation of component minerals and pores/fractures is a critical factor that influences elastic anisotropy. In this study, we investigate lattice and shape preferred orientation (LPO and SPO) of three shales from the North Sea in UK, the Qusaiba Formation in Saudi Arabia, and the Officer Basin in Australia (referred to as N1, Qu3, and L1905, respectively) to calculate elastic properties and compare them with experimental results. Synchrotron hard X-ray diffraction and microtomography experiments were performed to quantify LPO, weight proportions, and three-dimensional SPO of constituent minerals and pores. Our preliminary results show that the degree of LPO and total amount of clays are highest in Qu3 (3.3-6.5 m.r.d and 74vol%), moderately high in N1 (2.4-5.6 m.r.d. and 70vol%), and lowest in L1905 (2.3-2.5 m.r.d. and 42vol%). In addition, porosity in Qu3 is as low as 2% while it is up to 6% in L1605 and 8% in N1, respectively. Based on this information and single crystal elastic properties of mineral components, we apply a self-consistent averaging method to calculate macroscopic elastic properties and corresponding seismic velocities for different shales. The elastic model is then compared with measured acoustic velocities on the same samples. The P-wave velocities measured from Qu3 (4.1-5.3 km/s, 26.3%Ani.) are faster than those obtained from L1905 (3.9-4.7 km/s, 18.6%Ani.) and N1 (3.6-4.3 km/s, 17.7%Ani.). By making adjustments for pore structure (aspect ratio) and single crystal elastic properties of clay minerals, a good agreement between our calculation and the ultrasonic measurement is obtained.

  18. Critical Review of Membrane Bioreactor Models

    DEFF Research Database (Denmark)

    Naessens, W.; Maere, T.; Ratkovich, Nicolas Rios

    2012-01-01

    modelling. In this paper, the vast literature on hydrodynamic and integrated modelling in MBR is critically reviewed. Hydrodynamic models are used at different scales and focus mainly on fouling and only little on system design/optimisation. Integrated models also focus on fouling although the ones......Membrane bioreactor technology exists for a couple of decades, but has not yet overwhelmed the market due to some serious drawbacks of which operational cost due to fouling is the major contributor. Knowledge buildup and optimisation for such complex systems can heavily benefit from mathematical...

  19. Membrane fouling mechanism of biofilm-membrane bioreactor (BF-MBR): Pore blocking model and membrane cleaning.

    Science.gov (United States)

    Zheng, Yi; Zhang, Wenxiang; Tang, Bing; Ding, Jie; Zheng, Yi; Zhang, Zhien

    2018-02-01

    Biofilm membrane bioreactor (BF-MBR) is considered as an important wastewater treatment technology that incorporates advantages of both biofilm and MBR process, as well as can alleviate membrane fouling, with respect to the conventional activated sludge MBR. But, to be efficient, it necessitates the establishment of proper methods for the assessment of membrane fouling. Four Hermia membrane blocking models were adopted to quantify and evaluate the membrane fouling of BF-MBR. The experiments were conducted with various operational conditions, including membrane types, agitation speeds and transmembrane pressure (TMP). Good agreement between cake formation model and experimental data was found, confirming the validity of the Hermia models for assessing the membrane fouling of BF-MBR and that cake layer deposits on membrane. Moreover, the influences of membrane types, agitation speeds and transmembrane pressure on the Hermia pore blocking coefficient of cake layer were investigated. In addition, the permeability recovery after membrane cleaning at various operational conditions was studied. This work confirms that, unlike conventional activated sludge MBR, BF-MBR possesses a low degree of membrane fouling and a higher membrane permeability recovery after cleaning. Copyright © 2017 Elsevier Ltd. All rights reserved.

  20. Interactions of Model Cell Membranes with Nanoparticles

    Science.gov (United States)

    D'Angelo, S. M.; Camesano, T. A.; Nagarajan, R.

    2011-12-01

    The same properties that give nanoparticles their enhanced function, such as high surface area, small size, and better conductivity, can also alter the cytotoxicity of nanomaterials. Ultimately, many of these nanomaterials will be released into the environment, and can cause cytotoxic effects to environmental bacteria, aquatic organisms, and humans. Previous results from our laboratory suggest that nanoparticles can have a detrimental effect on cells, depending on nanoparticle size. It is our goal to characterize the properties of nanomaterials that can result in membrane destabilization. We tested the effects of nanoparticle size and chemical functionalization on nanoparticle-membrane interactions. Gold nanoparticles at 2, 5,10, and 80 nm were investigated, with a concentration of 1.1x1010 particles/mL. Model cell membranes were constructed of of L-α-phosphatidylcholine (egg PC), which has negatively charged lipid headgroups. A quartz crystal microbalance with dissipation (QCM-D) was used to measure frequency changes at different overtones, which were related to mass changes corresponding to nanoparticle interaction with the model membrane. In QCM-D, a lipid bilayer is constructed on a silicon dioxide crystal. The crystals, oscillate at different harmonic frequencies depending upon changes in mass or energy dissipation. When mass is added to the crystal surface, such as through addition of a lipid vesicle solution, the frequency change decreases. By monitoring the frequency and dissipation, we could verify that a supported lipid bilayer (SLB) formed on the silica surface. After formation of the SLB, the nanoparticles can be added to the system, and the changes in frequency and dissipation are monitored in order to build a mechanistic understanding of nanoparticle-cell membrane interactions. For all of the smaller nanoparticles (2, 5, and 10 nm), nanoparticle addition caused a loss of mass from the lipid bilayer, which appears to be due to the formation of holes

  1. Self-consistent approach for neutral community models with speciation

    NARCIS (Netherlands)

    Haegeman, Bart; Etienne, Rampal S.

    Hubbell's neutral model provides a rich theoretical framework to study ecological communities. By incorporating both ecological and evolutionary time scales, it allows us to investigate how communities are shaped by speciation processes. The speciation model in the basic neutral model is

  2. Self-consistent modelling of resonant tunnelling structures

    DEFF Research Database (Denmark)

    Fiig, T.; Jauho, A.P.

    1992-01-01

    We report a comprehensive study of the effects of self-consistency on the I-V-characteristics of resonant tunnelling structures. The calculational method is based on a simultaneous solution of the effective-mass Schrödinger equation and the Poisson equation, and the current is evaluated...

  3. Consistency between 2D-3D Sediment Transport models

    Science.gov (United States)

    Villaret, Catherine; Jodeau, Magali

    2017-04-01

    Sediment transport models have been developed and applied by the engineering community to estimate transport rates and morphodynamic bed evolutions in river flows, coastal and estuarine conditions. Environmental modelling systems like the open-source Telemac modelling system include a hierarchy of models from 1D (Mascaret), 2D (Telemac-2D/Sisyphe) and 3D (Telemac-3D/Sedi-3D) and include a wide range of processes to represent sediment flow interactions under more and more complex situations (cohesive, non-cohesive and mixed sediment). Despite some tremendous progresses in the numerical techniques and computing resources, the quality/accuracy of model results mainly depend on the numerous choices and skills of the modeler. In complex situations involving stratification effects, complex geometry, recirculating flows… 2D model assumptions are no longer valid. A full 3D turbulent flow model is then required in order to capture the vertical mixing processes and to represent accurately the coupled flow/sediment distribution. However a number of theoretical and numerical difficulties arise when dealing with sediment transport modelling in 3D which will be high-lighted : (1) Dependency of model results to the vertical grid refinement and choice of boundary conditions and numerical scheme (2) The choice of turbulence model determines also the sediment vertical distribution which is governed by a balance between the downward settling term and upward turbulent diffusion. (3) The use of different numerical schemes for both hydrodynamics (mean and turbulent flow) and sediment transport modelling can lead to some inconsistency including a mismatch in the definition of numerical cells and definition of boundary conditions. We discuss here those present issues and present some detailed comparison between 2D and 3D simulations on a set of validation test cases which are available in the Telemac 7.2 release using both cohesive and non-cohesive sediments.

  4. A Consistent Pricing Model for Index Options and Volatility Derivatives

    DEFF Research Database (Denmark)

    Kokholm, Thomas

    We propose a flexible modeling framework for the joint dynamics of an index and a set of forward variance swap rates written on this index. Our model reproduces various empirically observed properties of variance swap dynamics and enables volatility derivatives and options on the underlying index...... on the underlying asset. The model has the convenient feature of decoupling the vanilla skews from spot/volatility correlations and allowing for different conditional correlations in large and small spot/volatility moves. We show that our model can simultaneously fit prices of European options on S&P 500 across...

  5. Physical model for membrane protrusions during spreading

    International Nuclear Information System (INIS)

    Chamaraux, F; Ali, O; Fourcade, B; Keller, S; Bruckert, F

    2008-01-01

    During cell spreading onto a substrate, the kinetics of the contact area is an observable quantity. This paper is concerned with a physical approach to modeling this process in the case of ameboid motility where the membrane detaches itself from the underlying cytoskeleton at the leading edge. The physical model we propose is based on previous reports which highlight that membrane tension regulates cell spreading. Using a phenomenological feedback loop to mimic stress-dependent biochemistry, we show that the actin polymerization rate can be coupled to the stress which builds up at the margin of the contact area between the cell and the substrate. In the limit of small variation of membrane tension, we show that the actin polymerization rate can be written in a closed form. Our analysis defines characteristic lengths which depend on elastic properties of the membrane–cytoskeleton complex, such as the membrane–cytoskeleton interaction, and on molecular parameters, the rate of actin polymerization. We discuss our model in the case of axi-symmetric and non-axi-symmetric spreading and we compute the characteristic time scales as a function of fundamental elastic constants such as the strength of membrane–cytoskeleton adherence

  6. Is the island universe model consistent with observations?

    OpenAIRE

    Piao, Yun-Song

    2005-01-01

    We study the island universe model, in which initially the universe is in a cosmological constant sea, then the local quantum fluctuations violating the null energy condition create the islands of matter, some of which might corresponds to our observable universe. We examine the possibility that the island universe model is regarded as an alternative scenario of the origin of observable universe.

  7. Mechanistically Consistent Reduced Models of Synthetic Gene Networks

    Science.gov (United States)

    Mier-y-Terán-Romero, Luis; Silber, Mary; Hatzimanikatis, Vassily

    2013-01-01

    Designing genetic networks with desired functionalities requires an accurate mathematical framework that accounts for the essential mechanistic details of the system. Here, we formulate a time-delay model of protein translation and mRNA degradation by systematically reducing a detailed mechanistic model that explicitly accounts for the ribosomal dynamics and the cleaving of mRNA by endonucleases. We exploit various technical and conceptual advantages that our time-delay model offers over the mechanistic model to probe the behavior of a self-repressing gene over wide regions of parameter space. We show that a heuristic time-delay model of protein synthesis of a commonly used form yields a notably different prediction for the parameter region where sustained oscillations occur. This suggests that such heuristics can lead to erroneous results. The functional forms that arise from our systematic reduction can be used for every system that involves transcription and translation and they could replace the commonly used heuristic time-delay models for these processes. The results from our analysis have important implications for the design of synthetic gene networks and stress that such design must be guided by a combination of heuristic models and mechanistic models that include all relevant details of the process. PMID:23663853

  8. Thermodynamically consistent description of criticality in models of correlated electrons

    Czech Academy of Sciences Publication Activity Database

    Janiš, Václav; Kauch, Anna; Pokorný, Vladislav

    2017-01-01

    Roč. 95, č. 4 (2017), s. 1-14, č. článku 045108. ISSN 2469-9950 R&D Projects: GA ČR GA15-14259S Institutional support: RVO:68378271 Keywords : conserving approximations * Anderson model * Hubbard model * parquet equations Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.836, year: 2016

  9. Towards a self-consistent dynamical nuclear model

    International Nuclear Information System (INIS)

    Roca-Maza, X; Colò, G; Bortignon, P F; Niu, Y F

    2017-01-01

    Density functional theory (DFT) is a powerful and accurate tool, exploited in nuclear physics to investigate the ground-state and some of the collective properties of nuclei along the whole nuclear chart. Models based on DFT are not, however, suitable for the description of single-particle dynamics in nuclei. Following the field theoretical approach by A Bohr and B R Mottelson to describe nuclear interactions between single-particle and vibrational degrees of freedom, we have taken important steps towards the building of a microscopic dynamic nuclear model. In connection with this, one important issue that needs to be better understood is the renormalization of the effective interaction in the particle-vibration approach. One possible way to renormalize the interaction is by the so-called subtraction method . In this contribution, we will implement the subtraction method in our model for the first time and study its consequences. (paper)

  10. A thermodynamically consistent model of shape-memory alloys

    Czech Academy of Sciences Publication Activity Database

    Benešová, Barbora

    2011-01-01

    Roč. 11, č. 1 (2011), s. 355-356 ISSN 1617-7061 R&D Projects: GA ČR GAP201/10/0357 Institutional research plan: CEZ:AV0Z20760514 Keywords : slape memory alloys * model based on relaxation * thermomechanic coupling Subject RIV: BA - General Mathematics http://onlinelibrary.wiley.com/doi/10.1002/pamm.201110169/abstract

  11. On self-consistent N=1 supersymmetric composite models

    International Nuclear Information System (INIS)

    Pirogov, Yu.F.

    1984-01-01

    A class of fermion-boson N=1 supersymmetric composite models is considered. The models satisfy the anomaly matching condition, n-independence and the survival hypothesis. A unique admissible set of light states has been found under additional requirements for the two-particle metacolour force saturation, left-right discrete symmetry and observability of spectator states, on a par with the composite ones, the formey being necessary to compensate for axial anomalies. With respect to the unbroken chiral symmetry Gsup((MF))=SU(n)sub(L)xSU(n)sub(R), the light set has in left-chiral notations the form [(n(n-1)/2, 1)+(1, anti n(n-1)/2]+2(anti n, n)+[(n(n+1)/2/, 1)+(1, anti n(n-1)/2] independent of the metacolo group Gsup((MC)). The effective interaction theory for the light set on the mass scales, smaller than that of compositeness, is the N=1 supersymmetric grand unified model Gsup((MF))=SU(n)sub(L)xSU(n)sub(R). Here n=6, 8 are phenomenologically acceptable. On low mass scales, the light set transforms exactly into four families of ordinary leptons and quarks. In accordance with the survival hypothesis, all exotic states are naturally heavy under the spontaneous breaking of Gsup((MF)) to the low-energy standard model symmetry

  12. Mathematical model of a PEMFC using a PBI membrane

    International Nuclear Information System (INIS)

    Cheddie, Denver; Munroe, Norman

    2006-01-01

    Proton exchange membrane fuel cells (PEMFC) operating with Nafion[reg] membranes have encountered numerous problems associated with water management and CO poisoning because of their low temperature of operation. Alternative high temperature membranes have been investigated, one such membrane being polybenzimidazole (PBI). This paper presents a one dimensional mathematical model, which predicts the polarization performance of a PEMFC using a PBI membrane. Peak power densities in the same order as Nafion[reg] are predicted. Results indicate that the greatest scope for improving PBI PEMFC performance is increasing the membrane conductivity and improving the catalyst performance as it interfaces with the PBI membrane

  13. Alterations in Striatal Synaptic Transmission are Consistent across Genetic Mouse Models of Huntington's Disease

    Directory of Open Access Journals (Sweden)

    Damian M Cummings

    2010-05-01

    Full Text Available Since the identification of the gene responsible for HD (Huntington's disease, many genetic mouse models have been generated. Each employs a unique approach for delivery of the mutated gene and has a different CAG repeat length and background strain. The resultant diversity in the genetic context and phenotypes of these models has led to extensive debate regarding the relevance of each model to the human disorder. Here, we compare and contrast the striatal synaptic phenotypes of two models of HD, namely the YAC128 mouse, which carries the full-length huntingtin gene on a yeast artificial chromosome, and the CAG140 KI*** (knock-in mouse, which carries a human/mouse chimaeric gene that is expressed in the context of the mouse genome, with our previously published data obtained from the R6/2 mouse, which is transgenic for exon 1 mutant huntingtin. We show that striatal MSNs (medium-sized spiny neurons in YAC128 and CAG140 KI mice have similar electrophysiological phenotypes to that of the R6/2 mouse. These include a progressive increase in membrane input resistance, a reduction in membrane capacitance, a lower frequency of spontaneous excitatory postsynaptic currents and a greater frequency of spontaneous inhibitory postsynaptic currents in a subpopulation of striatal neurons. Thus, despite differences in the context of the inserted gene between these three models of HD, the primary electrophysiological changes observed in striatal MSNs are consistent. The outcomes suggest that the changes are due to the expression of mutant huntingtin and such alterations can be extended to the human condition.

  14. A seismologically consistent compositional model of Earth's core.

    Science.gov (United States)

    Badro, James; Côté, Alexander S; Brodholt, John P

    2014-05-27

    Earth's core is less dense than iron, and therefore it must contain "light elements," such as S, Si, O, or C. We use ab initio molecular dynamics to calculate the density and bulk sound velocity in liquid metal alloys at the pressure and temperature conditions of Earth's outer core. We compare the velocity and density for any composition in the (Fe-Ni, C, O, Si, S) system to radial seismological models and find a range of compositional models that fit the seismological data. We find no oxygen-free composition that fits the seismological data, and therefore our results indicate that oxygen is always required in the outer core. An oxygen-rich core is a strong indication of high-pressure and high-temperature conditions of core differentiation in a deep magma ocean with an FeO concentration (oxygen fugacity) higher than that of the present-day mantle.

  15. Flood damage: a model for consistent, complete and multipurpose scenarios

    Science.gov (United States)

    Menoni, Scira; Molinari, Daniela; Ballio, Francesco; Minucci, Guido; Mejri, Ouejdane; Atun, Funda; Berni, Nicola; Pandolfo, Claudia

    2016-12-01

    Effective flood risk mitigation requires the impacts of flood events to be much better and more reliably known than is currently the case. Available post-flood damage assessments usually supply only a partial vision of the consequences of the floods as they typically respond to the specific needs of a particular stakeholder. Consequently, they generally focus (i) on particular items at risk, (ii) on a certain time window after the occurrence of the flood, (iii) on a specific scale of analysis or (iv) on the analysis of damage only, without an investigation of damage mechanisms and root causes. This paper responds to the necessity of a more integrated interpretation of flood events as the base to address the variety of needs arising after a disaster. In particular, a model is supplied to develop multipurpose complete event scenarios. The model organizes available information after the event according to five logical axes. This way post-flood damage assessments can be developed that (i) are multisectoral, (ii) consider physical as well as functional and systemic damage, (iii) address the spatial scales that are relevant for the event at stake depending on the type of damage that has to be analyzed, i.e., direct, functional and systemic, (iv) consider the temporal evolution of damage and finally (v) allow damage mechanisms and root causes to be understood. All the above features are key for the multi-usability of resulting flood scenarios. The model allows, on the one hand, the rationalization of efforts currently implemented in ex post damage assessments, also with the objective of better programming financial resources that will be needed for these types of events in the future. On the other hand, integrated interpretations of flood events are fundamental to adapting and optimizing flood mitigation strategies on the basis of thorough forensic investigation of each event, as corroborated by the implementation of the model in a case study.

  16. No consistent bioenergetic defects in presynaptic nerve terminals isolated from mouse models of Alzheimer's disease.

    Science.gov (United States)

    Choi, Sung W; Gerencser, Akos A; Ng, Ryan; Flynn, James M; Melov, Simon; Danielson, Steven R; Gibson, Bradford W; Nicholls, David G; Bredesen, Dale E; Brand, Martin D

    2012-11-21

    Depressed cortical energy supply and impaired synaptic function are predominant associations of Alzheimer's disease (AD). To test the hypothesis that presynaptic bioenergetic deficits are associated with the progression of AD pathogenesis, we compared bioenergetic variables of cortical and hippocampal presynaptic nerve terminals (synaptosomes) from commonly used mouse models with AD-like phenotypes (J20 age 6 months, Tg2576 age 16 months, and APP/PS age 9 and 14 months) to age-matched controls. No consistent bioenergetic deficiencies were detected in synaptosomes from the three models; only APP/PS cortical synaptosomes from 14-month-old mice showed an increase in respiration associated with proton leak. J20 mice were chosen for a highly stringent investigation of mitochondrial function and content. There were no significant differences in the quality of the synaptosomal preparations or the mitochondrial volume fraction. Furthermore, respiratory variables, calcium handling, and membrane potentials of synaptosomes from symptomatic J20 mice under calcium-imposed stress were not consistently impaired. The recovery of marker proteins during synaptosome preparation was the same, ruling out the possibility that the lack of functional bioenergetic defects in synaptosomes from J20 mice was due to the selective loss of damaged synaptosomes during sample preparation. Our results support the conclusion that the intrinsic bioenergetic capacities of presynaptic nerve terminals are maintained in these symptomatic AD mouse models.

  17. Toward a Self-Consistent Dynamical Model of the NSSL

    Science.gov (United States)

    Matilsky, Loren

    2018-01-01

    The advent of helioseismology has revealed in detail the internal differential rotation profile of the Sun. In particular, the presence of two boundary layers, the tachocline at the bottom of the convection zone (CZ) and the Near Surface Shear Layer (NSSL) at the top of the CZ, has remained a mystery. These two boundary layers may have significant consequences for the internal dynamo that operates the Sun's magnetic field, and so understanding their dynamics is an important step in solar physics and in the theory of solar-like stellar structure in general. In this talk, we analyze three numerical models of hydrodynamic convection in rotating spherical shells with varying degrees of stratification in order to understand the dynamical balance of the solar near-surface shear layer (NSSL). We find that with sufficient stratification, a boundary layer with some characteristics of the NSSL develops at high latitudes, and it is maintained purely an inertial balance of torques in which the viscosity is negligible. An inward radial flux of angular momentum from the Reynold's stress (as has been predicted by theory) is balanced by the poleward latitudinal flux of angular momentum due to the meridional circulation. We analyze the similarities of the near surface shear in our models to that of the Sun, and find that the solar NSSL is most likely maintained by the inertial balance our simulations display at high latitudes, but with a modified upper boundary condition.

  18. Consistency problems for Heath-Jarrow-Morton interest rate models

    CERN Document Server

    Filipović, Damir

    2001-01-01

    The book is written for a reader with knowledge in mathematical finance (in particular interest rate theory) and elementary stochastic analysis, such as provided by Revuz and Yor (Continuous Martingales and Brownian Motion, Springer 1991). It gives a short introduction both to interest rate theory and to stochastic equations in infinite dimension. The main topic is the Heath-Jarrow-Morton (HJM) methodology for the modelling of interest rates. Experts in SDE in infinite dimension with interest in applications will find here the rigorous derivation of the popular "Musiela equation" (referred to in the book as HJMM equation). The convenient interpretation of the classical HJM set-up (with all the no-arbitrage considerations) within the semigroup framework of Da Prato and Zabczyk (Stochastic Equations in Infinite Dimensions) is provided. One of the principal objectives of the author is the characterization of finite-dimensional invariant manifolds, an issue that turns out to be vital for applications. Finally, ge...

  19. Molecular dynamics simulations of large integral membrane proteins with an implicit membrane model.

    Science.gov (United States)

    Tanizaki, Seiichiro; Feig, Michael

    2006-01-12

    The heterogeneous dielectric generalized Born (HDGB) methodology is an the extension of the GBMV model for the simulation of integral membrane proteins with an implicit membrane environment. Three large integral membrane proteins, the bacteriorhodopsin monomer and trimer and the BtuCD protein, were simulated with the HDGB model in order to evaluate how well thermodynamic and dynamic properties are reproduced. Effects of the truncation of electrostatic interactions were examined. For all proteins, the HDGB model was able to generate stable trajectories that remained close to the starting experimental structures, in excellent agreement with explicit membrane simulations. Dynamic properties evaluated through a comparison of B-factors are also in good agreement with experiment and explicit membrane simulations. However, overall flexibility was slightly underestimated with the HDGB model unless a very large electrostatic cutoff is employed. Results with the HDGB model are further compared with equivalent simulations in implicit aqueous solvent, demonstrating that the membrane environment leads to more realistic simulations.

  20. On the internal consistency of holographic dark energy models

    International Nuclear Information System (INIS)

    Horvat, R

    2008-01-01

    Holographic dark energy (HDE) models, underpinned by an effective quantum field theory (QFT) with a manifest UV/IR connection, have become convincing candidates for providing an explanation of the dark energy in the universe. On the other hand, the maximum number of quantum states that a conventional QFT for a box of size L is capable of describing relates to those boxes which are on the brink of experiencing a sudden collapse to a black hole. Another restriction on the underlying QFT is that the UV cut-off, which cannot be chosen independently of the IR cut-off and therefore becomes a function of time in a cosmological setting, should stay the largest energy scale even in the standard cosmological epochs preceding a dark energy dominated one. We show that, irrespective of whether one deals with the saturated form of HDE or takes a certain degree of non-saturation in the past, the above restrictions cannot be met in a radiation dominated universe, an epoch in the history of the universe which is expected to be perfectly describable within conventional QFT

  1. MFI-molecular sieve membranes:synthesis, characterization and modelling

    OpenAIRE

    Jareman, Fredrik

    2002-01-01

    This work concerns evaluation by permeation measurements and modeling of thin (<2µm) MFI molecular sieve membranes and, to a smaller extent, synthesis of such materials. The membranes have been synthesized on graded a-alumina microfiltration filters using The seed film method. Scanning electron microscopy and x-ray diffraction were used for characterization in addition to permeation measurements. Mathematical models describing membrane flux for real membranes and defect distributions were ...

  2. Finite element modeling of lipid bilayer membranes

    Science.gov (United States)

    Feng, Feng; Klug, William S.

    2006-12-01

    A numerical simulation framework is presented for the study of biological membranes composed of lipid bilayers based on the finite element method. The classic model for these membranes employs a two-dimensional-fluid-like elastic constitutive law which is sensitive to curvature, and subjects vesicles to physically imposed constraints on surface area and volume. This model is implemented numerically via the use of C1-conforming triangular Loop subdivision finite elements. The validity of the framework is tested by computing equilibrium shapes from previously-determined axisymmetric shape-phase diagram of lipid bilayer vesicles with homogeneous material properties. Some of the benefits and challenges of finite element modeling of lipid bilayer systems are discussed, and it is indicated how this framework is natural for future investigation of biologically realistic bilayer structures involving nonaxisymmetric geometries, binding and adhesive interactions, heterogeneous mechanical properties, cytoskeletal interactions, and complex loading arrangements. These biologically relevant features have important consequences for the shape mechanics of nonidealized vesicles and cells, and their study requires not simply advances in theory, but also advances in numerical simulation techniques, such as those presented here.

  3. Spectroscopic Ellipsometry analysis of a thin film composite membrane consisting of polysulfone on a porous α-alumina support

    NARCIS (Netherlands)

    Ogieglo, Wojciech; Wormeester, Herbert; Wessling, Matthias; Benes, Nieck Edwin

    2012-01-01

    Exposure of a thin polymer film to a fluid can affect properties of the film such as the density and thickness. In particular in membrane technology, these changes can have important implications for membrane performance. Spectroscopic ellipsometry is a convenient technique for in situ studies of

  4. Mass and Heat Transfer Analysis of Membrane Humidifier with a Simple Lumped Mass Model

    International Nuclear Information System (INIS)

    Lee, Young Duk; Bae, Ho June; Ahn, Kook Young; Yu, Sang Seok; Hwang, Joon Young

    2009-01-01

    The performance of proton exchange membrane fuel cell (PEMFC) is seriously changed by the humidification condition which is intrinsic characteristics of the PEMFC. Typically, the humidification of fuel cell is carried out with internal or external humidifier. A membrane humidifier is applied to the external humidification of residential power generation fuel cell due to its convenience and high performance. In this study, a simple static model is constructed to understand the physical phenomena of the membrane humidifier in terms of geometric parameters and operating parameters. The model utilizes the concept of shell and tube heat exchanger but the model is also able to estimate the mass transport through the membrane. Model is constructed with FORTRAN under Matlab/Simulink □ environment to keep consistency with other components model which we already developed. Results shows that the humidity of wet gas and membrane thickness are critical parameters to improve the performance of the humidifier

  5. Zeolite Membranes: Ozone Detemplation, Modeling, and Performance Characterization

    OpenAIRE

    Kuhn, J.

    2009-01-01

    Membrane technology plays an increasingly important role in developing a more sustainable process industry. Zeolites are a novel class of membrane materials with unique properties enabling molecular sieving and affinity based separations. This thesis proposes some new concepts in zeolite membrane synthesis, application, and modeling. The influence of zeolite polarity is assessed and the use of a hydrophobic zeolite membrane for water separation is explored. Ozonication, a novel method for zeo...

  6. A general model for membrane-based separation processes

    DEFF Research Database (Denmark)

    Soni, Vipasha; Abildskov, Jens; Jonsson, Gunnar Eigil

    2009-01-01

    behaviour will play an important role. In this paper, modelling of membrane-based processes for separation of gas and liquid mixtures are considered. Two general models, one for membrane-based liquid separation processes (with phase change) and another for membrane-based gas separation are presented....... The separation processes covered are: membrane-based gas separation processes, pervaporation and various types of membrane distillation processes. The specific model for each type of membrane-based process is generated from the two general models by applying the specific system descriptions and the corresponding......A separation process could be defined as a process that transforms a given mixture of chemicals into two or more compositionally distinct end-use products. One way to design these separation processes is to employ a model-based approach, where mathematical models that reliably predict the process...

  7. Consistency in Estimation and Model Selection of Dynamic Panel Data Models with Fixed Effects

    Directory of Open Access Journals (Sweden)

    Guangjie Li

    2015-07-01

    Full Text Available We examine the relationship between consistent parameter estimation and model selection for autoregressive panel data models with fixed effects. We find that the transformation of fixed effects proposed by Lancaster (2002 does not necessarily lead to consistent estimation of common parameters when some true exogenous regressors are excluded. We propose a data dependent way to specify the prior of the autoregressive coefficient and argue for comparing different model specifications before parameter estimation. Model selection properties of Bayes factors and Bayesian information criterion (BIC are investigated. When model uncertainty is substantial, we recommend the use of Bayesian Model Averaging to obtain point estimators with lower root mean squared errors (RMSE. We also study the implications of different levels of inclusion probabilities by simulations.

  8. Detailed modelling and optimal design of membrane separation systems

    OpenAIRE

    Marriott, J. I.

    2001-01-01

    The search for alternatives to traditional energy intensive separation methods such as distillation has led to the introduction of processes based on membranes. In this research, the use of detailed mathematical models for the optimal design of membrane systems is investigated. Mathematical models of hollow-fibre and spiral-wound membrane modules are presented in this thesis. The models are developed from rigorous mass, momentum and energy balances and can be used to describ...

  9. Atomic force microscopy of model lipid membranes.

    Science.gov (United States)

    Morandat, Sandrine; Azouzi, Slim; Beauvais, Estelle; Mastouri, Amira; El Kirat, Karim

    2013-02-01

    Supported lipid bilayers (SLBs) are biomimetic model systems that are now widely used to address the biophysical and biochemical properties of biological membranes. Two main methods are usually employed to form SLBs: the transfer of two successive monolayers by Langmuir-Blodgett or Langmuir-Schaefer techniques, and the fusion of preformed lipid vesicles. The transfer of lipid films on flat solid substrates offers the possibility to apply a wide range of surface analytical techniques that are very sensitive. Among them, atomic force microscopy (AFM) has opened new opportunities for determining the nanoscale organization of SLBs under physiological conditions. In this review, we first focus on the different protocols generally employed to prepare SLBs. Then, we describe AFM studies on the nanoscale lateral organization and mechanical properties of SLBs. Lastly, we survey recent developments in the AFM monitoring of bilayer alteration, remodeling, or digestion, by incubation with exogenous agents such as drugs, proteins, peptides, and nanoparticles.

  10. Simulations of simple linoleic acid-containing lipid membranes and models for the soybean plasma membranes

    Science.gov (United States)

    Zhuang, Xiaohong; Ou, Anna; Klauda, Jeffery B.

    2017-06-01

    The all-atom CHARMM36 lipid force field (C36FF) has been tested with saturated, monounsaturated, and polyunsaturated lipids; however, it has not been validated against the 18:2 linoleoyl lipids with an unsaturated sn-1 chain. The linoleoyl lipids are common in plants and the main component of the soybean membrane. The lipid composition of soybean plasma membranes has been thoroughly characterized with experimental studies. However, there is comparatively less work done with computational modeling. Our molecular dynamics (MD) simulation results show that the pure linoleoyl lipids, 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine (18:0/18:2) and 1,2-dilinoleoyl-sn-glycero-3-phosphocholine (di-18:2), agree very well with the experiments, which demonstrates the accuracy of the C36FF for the computational study of soybean membranes. Based on the experimental composition, the soybean hypocotyl and root plasma membrane models are developed with each containing seven or eight types of linoleoyl phospholipids and two types of sterols (sitosterol and stigmasterol). MD simulations are performed to characterize soybean membranes, and the hydrogen bonds and clustering results demonstrate that the lipids prefer to interact with the lipids of the same/similar tail unsaturation. All the results suggest that these two soybean membrane models can be used as a basis for further research in soybean and higher plant membranes involving membrane-associated proteins.

  11. Consistent model reduction of polymer chains in solution in dissipative particle dynamics: Model description

    KAUST Repository

    Moreno Chaparro, Nicolas

    2015-06-30

    We introduce a framework for model reduction of polymer chain models for dissipative particle dynamics (DPD) simulations, where the properties governing the phase equilibria such as the characteristic size of the chain, compressibility, density, and temperature are preserved. The proposed methodology reduces the number of degrees of freedom required in traditional DPD representations to model equilibrium properties of systems with complex molecules (e.g., linear polymers). Based on geometrical considerations we explicitly account for the correlation between beads in fine-grained DPD models and consistently represent the effect of these correlations in a reduced model, in a practical and simple fashion via power laws and the consistent scaling of the simulation parameters. In order to satisfy the geometrical constraints in the reduced model we introduce bond-angle potentials that account for the changes in the chain free energy after the model reduction. Following this coarse-graining process we represent high molecular weight DPD chains (i.e., ≥200≥200 beads per chain) with a significant reduction in the number of particles required (i.e., ≥20≥20 times the original system). We show that our methodology has potential applications modeling systems of high molecular weight molecules at large scales, such as diblock copolymer and DNA.

  12. Polyether sulfone membrane modeling and construction for the ...

    African Journals Online (AJOL)

    Polyether sulfone membrane modeling and construction for the removal of nitrate from water using ion interference sulfate and iron nano-particle. ... The aim of this study was constructed the polyether sulfone membrane and modelling it, and for checking impact pressure, the amount of iron nanoparticles and sulfate iron ...

  13. Models of dynamic extraction of lipid tethers from cell membranes

    International Nuclear Information System (INIS)

    Nowak, Sarah A; Chou, Tom

    2010-01-01

    When a ligand that is bound to an integral membrane receptor is pulled, the membrane and the underlying cytoskeleton can deform before either the membrane delaminates from the cytoskeleton or the ligand detaches from the receptor. If the membrane delaminates from the cytoskeleton, it may be further extruded and form a membrane tether. We develop a phenomenological model for this process by assuming that deformations obey Hooke's law up to a critical force at which the cell membrane locally detaches from the cytoskeleton and a membrane tether forms. We compute the probability of tether formation and show that tethers can be extruded only within an intermediate range of force loading rates and pulling velocities. The mean tether length that arises at the moment of ligand detachment is computed as are the force loading rates and pulling velocities that yield the longest tethers

  14. A new k-epsilon model consistent with Monin-Obukhov similarity theory

    DEFF Research Database (Denmark)

    van der Laan, Paul; Kelly, Mark C.; Sørensen, Niels N.

    2017-01-01

    A new k-" model is introduced that is consistent with Monin–Obukhov similarity theory (MOST). The proposed k-" model is compared with another k-" model that was developed in an attempt to maintain inlet profiles compatible with MOST. It is shown that the previous k-" model is not consistent with ...

  15. A mathematical model for predicting the life of polymer electrolyte fuel cell membranes subjected to hydration cycling

    Science.gov (United States)

    Burlatsky, S. F.; Gummalla, M.; O'Neill, J.; Atrazhev, V. V.; Varyukhin, A. N.; Dmitriev, D. V.; Erikhman, N. S.

    2012-10-01

    Under typical Polymer Electrolyte Membrane Fuel Cell (PEMFC) fuel cell operating conditions, part of the membrane electrode assembly is subjected to humidity cycling due to variation of inlet gas RH and/or flow rate. Cyclic membrane hydration/dehydration would cause cyclic swelling/shrinking of the unconstrained membrane. In a constrained membrane, it causes cyclic stress resulting in mechanical failure in the area adjacent to the gas inlet. A mathematical modeling framework for prediction of the lifetime of a PEMFC membrane subjected to hydration cycling is developed in this paper. The model predicts membrane lifetime as a function of RH cycling amplitude and membrane mechanical properties. The modeling framework consists of three model components: a fuel cell RH distribution model, a hydration/dehydration induced stress model that predicts stress distribution in the membrane, and a damage accrual model that predicts membrane lifetime. Short descriptions of the model components along with overall framework are presented in the paper. The model was used for lifetime prediction of a GORE-SELECT membrane.

  16. Modeling Plankton Mixotrophy: A Mechanistic Model Consistent with the Shuter-Type Biochemical Approach

    Directory of Open Access Journals (Sweden)

    Caroline Ghyoot

    2017-07-01

    Full Text Available Mixotrophy, i.e., the ability to combine phototrophy and phagotrophy in one organism, is now recognized to be widespread among photic-zone protists and to potentially modify the structure and functioning of planktonic ecosystems. However, few biogeochemical/ecological models explicitly include this mode of nutrition, owing to the large diversity of observed mixotrophic types, the few data allowing the parameterization of physiological processes, and the need to make the addition of mixotrophy into existing ecosystem models as simple as possible. We here propose and discuss a flexible model that depicts the main observed behaviors of mixotrophy in microplankton. A first model version describes constitutive mixotrophy (the organism photosynthesizes by use of its own chloroplasts. This model version offers two possible configurations, allowing the description of constitutive mixotrophs (CMs that favor either phototrophy or heterotrophy. A second version describes non-constitutive mixotrophy (the organism performs phototrophy by use of chloroplasts acquired from its prey. The model variants were described so as to be consistent with a plankton conceptualization in which the biomass is divided into separate components on the basis of their biochemical function (Shuter-approach; Shuter, 1979. The two model variants of mixotrophy can easily be implemented in ecological models that adopt the Shuter-approach, such as the MIRO model (Lancelot et al., 2005, and address the challenges associated with modeling mixotrophy.

  17. Flexoelectric effects in model and native membranes containing ion channels.

    Science.gov (United States)

    Petrov, A G; Miller, B A; Hristova, K; Usherwood, P N

    1993-01-01

    An experimental study of flexoelectricity in model membranes containing ion pores and native membranes containing ion channels has been undertaken with the objective of determining the relationship, if any, between flexoelectricity and ion transport. Model membrane patches containing ion pores induced by a blue-green algal toxin, microcystin-LR, and locust muscle membrane patches containing potassium channels were studied using patch-clamp techniques. A correspondence was established between the presence of open channels and pores and the amplitude of the 1st harmonic of the total membrane current when the membranes or patches were subjected to pressure oscillations. The 2nd harmonic of the membrane current provided a measure of the amplitude of a membrane curvature induced by pressure, thus making it possible to determine the membrane flexoelectric coefficient. This study shows that flexoelectricity could be an effective driving force for ion transport through membrane pores and channels, thus further highlighting the possible biological significance of this mechano-electric phenomenon.

  18. Spatiotemporal Organization of Spin-Coated Supported Model Membranes

    Science.gov (United States)

    Simonsen, Adam Cohen

    All cells of living organisms are separated from their surroundings and organized internally by means of flexible lipid membranes. In fact, there is consensus that the minimal requirements for self-replicating life processes include the following three features: (1) information carriers (DNA, RNA), (2) a metabolic system, and (3) encapsulation in a container structure [1]. Therefore, encapsulation can be regarded as an essential part of life itself. In nature, membranes are highly diverse interfacial structures that compartmentalize cells [2]. While prokaryotic cells only have an outer plasma membrane and a less-well-developed internal membrane structure, eukaryotic cells have a number of internal membranes associated with the organelles and the nucleus. Many of these membrane structures, including the plasma membrane, are complex layered systems, but with the basic structure of a lipid bilayer. Biomembranes contain hundreds of different lipid species in addition to embedded or peripherally associated membrane proteins and connections to scaffolds such as the cytoskeleton. In vitro, lipid bilayers are spontaneously self-organized structures formed by a large group of amphiphilic lipid molecules in aqueous suspensions. Bilayer formation is driven by the entropic properties of the hydrogen bond network in water in combination with the amphiphilic nature of the lipids. The molecular shapes of the lipid constituents play a crucial role in bilayer formation, and only lipids with approximately cylindrical shapes are able to form extended bilayers. The bilayer structure of biomembranes was discovered by Gorter and Grendel in 1925 [3] using monolayer studies of lipid extracts from red blood cells. Later, a number of conceptual models were developed to rationalize the organization of lipids and proteins in biological membranes. One of the most celebrated is the fluid-mosaic model by Singer and Nicolson (1972) [4]. According to this model, the lipid bilayer component of

  19. Novel thermal efficiency-based model for determination of thermal conductivity of membrane distillation membranes

    International Nuclear Information System (INIS)

    Vanneste, Johan; Bush, John A.; Hickenbottom, Kerri L.; Marks, Christopher A.; Jassby, David

    2017-01-01

    Development and selection of membranes for membrane distillation (MD) could be accelerated if all performance-determining characteristics of the membrane could be obtained during MD operation without the need to recur to specialized or cumbersome porosity or thermal conductivity measurement techniques. By redefining the thermal efficiency, the Schofield method could be adapted to describe the flux without prior knowledge of membrane porosity, thickness, or thermal conductivity. A total of 17 commercially available membranes were analyzed in terms of flux and thermal efficiency to assess their suitability for application in MD. The thermal-efficiency based model described the flux with an average %RMSE of 4.5%, which was in the same range as the standard deviation on the measured flux. The redefinition of the thermal efficiency also enabled MD to be used as a novel thermal conductivity measurement device for thin porous hydrophobic films that cannot be measured with the conventional laser flash diffusivity technique.

  20. Performance modeling of direct contact membrane distillation (DCMD) seawater desalination process using a commercial composite membrane

    KAUST Repository

    Lee, Junggil

    2015-01-10

    This paper presents the development of a rigorous theoretical model to predict the transmembrane flux of a flat sheet hydrophobic composite membrane, comprising both an active layer of polytetrafluoroethylene and a scrim-backing support layer of polypropylene, in the direct contact membrane distillation (DCMD) process. An integrated model includes the mass, momentum, species and energy balances for both retentate and permeate flows, coupled with the mass transfer of water vapor through the composite membrane and the heat transfer across the membrane and through the boundary layers adjacent to the membrane surfaces. Experimental results and model predictions for permeate flux and performance ratio are compared and shown to be in good agreement. The permeate flux through the composite layer can be ignored in the consideration of mass transfer pathways at the composite membrane. The effect of the surface porosity and the thickness of active and support layers on the process performance of composite membrane has also been studied. Among these parameters, surface porosity is identified to be the main factor significantly influencing the permeate flux and performance ratio, while the relative influence of the surface porosity on the performance ratio is less than that on flux.

  1. An Integrated Framework Advancing Membrane Protein Modeling and Design.

    Directory of Open Access Journals (Sweden)

    Rebecca F Alford

    2015-09-01

    Full Text Available Membrane proteins are critical functional molecules in the human body, constituting more than 30% of open reading frames in the human genome. Unfortunately, a myriad of difficulties in overexpression and reconstitution into membrane mimetics severely limit our ability to determine their structures. Computational tools are therefore instrumental to membrane protein structure prediction, consequently increasing our understanding of membrane protein function and their role in disease. Here, we describe a general framework facilitating membrane protein modeling and design that combines the scientific principles for membrane protein modeling with the flexible software architecture of Rosetta3. This new framework, called RosettaMP, provides a general membrane representation that interfaces with scoring, conformational sampling, and mutation routines that can be easily combined to create new protocols. To demonstrate the capabilities of this implementation, we developed four proof-of-concept applications for (1 prediction of free energy changes upon mutation; (2 high-resolution structural refinement; (3 protein-protein docking; and (4 assembly of symmetric protein complexes, all in the membrane environment. Preliminary data show that these algorithms can produce meaningful scores and structures. The data also suggest needed improvements to both sampling routines and score functions. Importantly, the applications collectively demonstrate the potential of combining the flexible nature of RosettaMP with the power of Rosetta algorithms to facilitate membrane protein modeling and design.

  2. Reconstruction of Consistent 3d CAD Models from Point Cloud Data Using a Priori CAD Models

    Science.gov (United States)

    Bey, A.; Chaine, R.; Marc, R.; Thibault, G.; Akkouche, S.

    2011-09-01

    We address the reconstruction of 3D CAD models from point cloud data acquired in industrial environments, using a pre-existing 3D model as an initial estimate of the scene to be processed. Indeed, this prior knowledge can be used to drive the reconstruction so as to generate an accurate 3D model matching the point cloud. We more particularly focus our work on the cylindrical parts of the 3D models. We propose to state the problem in a probabilistic framework: we have to search for the 3D model which maximizes some probability taking several constraints into account, such as the relevancy with respect to the point cloud and the a priori 3D model, and the consistency of the reconstructed model. The resulting optimization problem can then be handled using a stochastic exploration of the solution space, based on the random insertion of elements in the configuration under construction, coupled with a greedy management of the conflicts which efficiently improves the configuration at each step. We show that this approach provides reliable reconstructed 3D models by presenting some results on industrial data sets.

  3. There Is No Simple Model of the Plasma Membrane Organization

    Czech Academy of Sciences Publication Activity Database

    de la serna, J. B.; Schütz, G.; Eggeling, Ch.; Cebecauer, Marek

    2016-01-01

    Roč. 4, SEP 2016 (2016), 106 ISSN 2296-634X R&D Projects: GA ČR GA15-06989S Institutional support: RVO:61388955 Keywords : plasma membrane * membrane organization models * heterogeneous distribution Subject RIV: CF - Physical ; Theoretical Chemistry

  4. Atomistic simulations of anionic Au-144(SR)(60) nanoparticles interacting with asymmetric model lipid membranes

    DEFF Research Database (Denmark)

    Heikkila, E.; Martinez-Seara, H.; Gurtovenko, A. A.

    2014-01-01

    Experimental observations indicate that the interaction between nanoparticles and lipid membranes varies according to the nanoparticle charge and the chemical nature of their protecting side groups. We report atomistic simulations of an anionic Au nanoparticle (AuNP-) interacting with membranes...... whose lipid composition and transmembrane distribution are to a large extent consistent with real plasma membranes of eukaryotic cells. To this end, we use a model system which comprises two cellular compartments, extracellular and cytosolic, divided by two asymmetric lipid bilayers. The simulations...... clearly show that AuNP- attaches to the extracellular membrane surface within a few tens of nanoseconds, while it avoids contact with the membrane on the cytosolic side. This behavior stems from several factors. In essence, when the nanoparticle interacts with lipids in the extracellular compartment...

  5. Experimental measurement of tympanic membrane response for finite element model validation of a human middle ear.

    Science.gov (United States)

    Ahn, Tae-Soo; Baek, Moo-Jin; Lee, Dooho

    2013-01-01

    The middle ear consists of a tympanic membrane, ligaments, tendons, and three ossicles. An important function of the tympanic membrane is to deliver exterior sound stimulus to the ossicles and inner ear. In this study, the responses of the tympanic membrane in a human ear were measured and compared with those of a finite element model of the middle ear. A laser Doppler vibrometer (LDV) was used to measure the dynamic responses of the tympanic membrane, which had the measurement point on the cone of light of the tympanic membrane. The measured subjects were five Korean male adults and a cadaver. The tympanic membranes were stimulated using pure-tone sine waves at 18 center frequencies of one-third octave band over a frequency range of 200 Hz ~10 kHz with 60 and 80 dB sound pressure levels. The measured responses were converted into the umbo displacement transfer function (UDTF) with a linearity assumption. The measured UDTFs were compared with the calculated UDTFs using a finite element model for the Korean human middle ear. The finite element model of the middle ear consists of three ossicles, a tympanic membrane, ligaments, and tendons. In the finite element model, the umbo displacements were calculated under a unit sound pressure on the tympanic membrane. The UDTF of the finite element model exhibited good agreement with that of the experimental one in low frequency range, whereas in higher frequency band, the two response functions deviated from each other, which demonstrates that the finite element model should be updated with more accurate material properties and/or a frequency dependent material model.

  6. There Is No Simple Model of the Plasma Membrane Organization

    Science.gov (United States)

    Bernardino de la Serna, Jorge; Schütz, Gerhard J.; Eggeling, Christian; Cebecauer, Marek

    2016-01-01

    Ever since technologies enabled the characterization of eukaryotic plasma membranes, heterogeneities in the distributions of its constituents were observed. Over the years this led to the proposal of various models describing the plasma membrane organization such as lipid shells, picket-and-fences, lipid rafts, or protein islands, as addressed in numerous publications and reviews. Instead of emphasizing on one model we in this review give a brief overview over current models and highlight how current experimental work in one or the other way do not support the existence of a single overarching model. Instead, we highlight the vast variety of membrane properties and components, their influences and impacts. We believe that highlighting such controversial discoveries will stimulate unbiased research on plasma membrane organization and functionality, leading to a better understanding of this essential cellular structure. PMID:27747212

  7. A theoretical model for gas permeability in a composite membrane

    International Nuclear Information System (INIS)

    Serrano, D. A

    2009-01-01

    We present in this work an analytical expression for permeability in a two-layer composite membrane, which was derived assuming the same hypothesis as those of Adzumi model for permeability in a homogeneous membrane. Whereas in Adzumi model permeability shows a linear dependence on the mean pressure, our model for a composite membrane related permeability to pressure through a rather complex expression, which covers the whole range of flow, from molecular-Knudsen to viscous-Poiseuille regimes. The expression obtained for permeability contained information of membrane structural properties as pore size, porosity and thickness of each layer, as well as gas nature and operational conditions. Our two-layer-model expression turns into Adzumi formula when the structure of the layers approach to each other. [es

  8. Interaction of multiple biomimetic antimicrobial polymers with model bacterial membranes

    Energy Technology Data Exchange (ETDEWEB)

    Baul, Upayan, E-mail: upayanb@imsc.res.in; Vemparala, Satyavani, E-mail: vani@imsc.res.in [The Institute of Mathematical Sciences, C.I.T. Campus, Taramani, Chennai 600113 (India); Kuroda, Kenichi, E-mail: kkuroda@umich.edu [Department of Biologic and Materials Sciences, University of Michigan School of Dentistry, Ann Arbor, Michigan 48109 (United States)

    2014-08-28

    Using atomistic molecular dynamics simulations, interaction of multiple synthetic random copolymers based on methacrylates on prototypical bacterial membranes is investigated. The simulations show that the cationic polymers form a micellar aggregate in water phase and the aggregate, when interacting with the bacterial membrane, induces clustering of oppositely charged anionic lipid molecules to form clusters and enhances ordering of lipid chains. The model bacterial membrane, consequently, develops lateral inhomogeneity in membrane thickness profile compared to polymer-free system. The individual polymers in the aggregate are released into the bacterial membrane in a phased manner and the simulations suggest that the most probable location of the partitioned polymers is near the 1-palmitoyl-2-oleoyl-phosphatidylglycerol (POPG) clusters. The partitioned polymers preferentially adopt facially amphiphilic conformations at lipid-water interface, despite lacking intrinsic secondary structures such as α-helix or β-sheet found in naturally occurring antimicrobial peptides.

  9. An Equivalent Electrical Circuit Model of Proton Exchange Membrane Fuel Cells Based on Mathematical Modelling

    Directory of Open Access Journals (Sweden)

    Dinh An Nguyen

    2012-07-01

    Full Text Available Many of the Proton Exchange Membrane Fuel Cell (PEMFC models proposed in the literature consist of mathematical equations. However, they are not adequately practical for simulating power systems. The proposed model takes into account phenomena such as activation polarization, ohmic polarization, double layer capacitance and mass transport effects present in a PEM fuel cell. Using electrical analogies and a mathematical modeling of PEMFC, the circuit model is established. To evaluate the effectiveness of the circuit model, its static and dynamic performances under load step changes are simulated and compared to the numerical results obtained by solving the mathematical model. Finally, the applicability of our model is demonstrated by simulating a practical system.

  10. Self-consistent imbedding and the ellipsoidal model model for porous rocks

    International Nuclear Information System (INIS)

    Korringa, J.; Brown, R.J.S.; Thompson, D.D.; Runge, R.J.

    1979-01-01

    Equations are obtained for the effective elastic moduli for a model of an isotropic, heterogeneous, porous medium. The mathematical model used for computation is abstract in that it is not simply a rigorous computation for a composite medium of some idealized geometry, although the computation contains individual steps which are just that. Both the solid part and pore space are represented by ellipsoidal or spherical 'grains' or 'pores' of various sizes and shapes. The strain of each grain, caused by external forces applied to the medium, is calculated in a self-consistent imbedding (SCI) approximation, which replaces the true surrounding of any given grain or pore by an isotropic medium defined by the effective moduli to be computed. The ellipsoidal nature of the shapes allows us to use Eshelby's theoretical treatment of a single ellipsoidal inclusion in an infiinte homogeneous medium. Results are compared with the literature, and discrepancies are found with all published accounts of this problem. Deviations from the work of Wu, of Walsh, and of O'Connell and Budiansky are attributed to a substitution made by these authors which though an identity for the exact quantities involved, is only approximate in the SCI calculation. This reduces the validity of the equations to first-order effects only. Differences with the results of Kuster and Toksoez are attributed to the fact that the computation of these authors is not self-consistent in the sense used here. A result seems to be the stiffening of the medium as if the pores are held apart. For spherical grains and pores, their calculated moduli are those given by the Hashin-Shtrikman upper bounds. Our calculation reproduces, in the case of spheres, an early result of Budiansky. An additional feature of our work is that the algebra is simpler than in earlier work. We also incorporate into the theory the possibility that fluid-filled pores are interconnected

  11. Phase-field theories for mathematical modeling of biological membranes.

    Science.gov (United States)

    Lázaro, Guillermo R; Pagonabarraga, Ignacio; Hernández-Machado, Aurora

    2015-01-01

    Biological membranes are complex structures whose mechanics are usually described at a mesoscopic level, such as the Helfrich bending theory. In this article, we present the phase-field methods, a useful tool for studying complex membrane problems which can be applied to very different phenomena. We start with an overview of the general theory of elasticity, paying special attention to its derivation from a molecular scale. We then study the particular case of membrane elasticity, explicitly obtaining the Helfrich bending energy. Within the framework of this theory, we derive a phase-field model for biological membranes and explore its physical basis and interpretation in terms of membrane elasticity. We finally explain three examples of applications of these methods to membrane related problems. First, the case of vesicle pearling and tubulation, when lipidic vesicles are exposed to the presence of hydrophobic polymers that anchor to the membrane, inducing a shape instability. Finally, we study the behavior of red blood cells while flowing in narrow microchannels, focusing on the importance of membrane elasticity to the cell flow capabilities. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  12. A CVAR scenario for a standard monetary model using theory-consistent expectations

    DEFF Research Database (Denmark)

    Juselius, Katarina

    2017-01-01

    A theory-consistent CVAR scenario describes a set of testable regularities capturing basic assumptions of the theoretical model. Using this concept, the paper considers a standard model for exchange rate determination and shows that all assumptions about the model's shock structure and steady...

  13. Antimicrobial mechanism of flavonoids against Escherichia coli ATCC 25922 by model membrane study

    International Nuclear Information System (INIS)

    He, Mengying; Wu, Ting; Pan, Siyi; Xu, Xiaoyun

    2014-01-01

    Antimicrobial mechanism of four flavonoids (kaempferol, hesperitin, (+)-catechin hydrate, biochanin A) against Escherichia coli ATCC 25922 was investigated through cell membranes and a liposome model. The release of bacterial protein and images from transmission electron microscopy demonstrated damage to the E. coli ATCC 25922 membrane. A liposome model with dipalmitoylphosphatidylethanolamine (DPPE) (0.6 molar ratio) and dipalmitoylphosphatidylglycerol (DPPG) (0.4 molar ratio), representative of the phospholipid membrane of E. coli ATCC 25922, was used to specify the mode of action of four selected flavonoids through Raman spectroscopy and differential scanning calorimetry. It is suggested that for flavonoids, to be effective antimicrobials, interaction with the polar head-group of the model membrane followed by penetration into the hydrophobic regions must occur. The antimicrobial efficacies of the flavonoids were consistent with liposome interaction activities, kaempferol > hesperitin > (+)-catechin hydrate > biochanin A. This study provides a liposome model capable of mimicking the cell membrane of E. coli ATCC 25922. The findings are important in understanding the antibacterial mechanism on cell membranes.

  14. Antimicrobial mechanism of flavonoids against Escherichia coli ATCC 25922 by model membrane study

    Energy Technology Data Exchange (ETDEWEB)

    He, Mengying; Wu, Ting; Pan, Siyi; Xu, Xiaoyun, E-mail: xiaoyunxu88@gmail.com

    2014-06-01

    Antimicrobial mechanism of four flavonoids (kaempferol, hesperitin, (+)-catechin hydrate, biochanin A) against Escherichia coli ATCC 25922 was investigated through cell membranes and a liposome model. The release of bacterial protein and images from transmission electron microscopy demonstrated damage to the E. coli ATCC 25922 membrane. A liposome model with dipalmitoylphosphatidylethanolamine (DPPE) (0.6 molar ratio) and dipalmitoylphosphatidylglycerol (DPPG) (0.4 molar ratio), representative of the phospholipid membrane of E. coli ATCC 25922, was used to specify the mode of action of four selected flavonoids through Raman spectroscopy and differential scanning calorimetry. It is suggested that for flavonoids, to be effective antimicrobials, interaction with the polar head-group of the model membrane followed by penetration into the hydrophobic regions must occur. The antimicrobial efficacies of the flavonoids were consistent with liposome interaction activities, kaempferol > hesperitin > (+)-catechin hydrate > biochanin A. This study provides a liposome model capable of mimicking the cell membrane of E. coli ATCC 25922. The findings are important in understanding the antibacterial mechanism on cell membranes.

  15. Proton exchange membrane fuel cells modeling

    CERN Document Server

    Gao, Fengge; Miraoui, Abdellatif

    2013-01-01

    The fuel cell is a potential candidate for energy storage and conversion in our future energy mix. It is able to directly convert the chemical energy stored in fuel (e.g. hydrogen) into electricity, without undergoing different intermediary conversion steps. In the field of mobile and stationary applications, it is considered to be one of the future energy solutions.Among the different fuel cell types, the proton exchange membrane (PEM) fuel cell has shown great potential in mobile applications, due to its low operating temperature, solid-state electrolyte and compactness.This book pre

  16. Development of a Kohn-Sham like potential in the Self-Consistent Atomic Deformation Model

    OpenAIRE

    Mehl, M. J.; Boyer, L. L.; Stokes, H. T.

    1996-01-01

    This is a brief description of how to derive the local ``atomic'' potentials from the Self-Consistent Atomic Deformation (SCAD) model density function. Particular attention is paid to the spherically averaged case.

  17. Consistency, Verification, and Validation of Turbulence Models for Reynolds-Averaged Navier-Stokes Applications

    Science.gov (United States)

    Rumsey, Christopher L.

    2009-01-01

    In current practice, it is often difficult to draw firm conclusions about turbulence model accuracy when performing multi-code CFD studies ostensibly using the same model because of inconsistencies in model formulation or implementation in different codes. This paper describes an effort to improve the consistency, verification, and validation of turbulence models within the aerospace community through a website database of verification and validation cases. Some of the variants of two widely-used turbulence models are described, and two independent computer codes (one structured and one unstructured) are used in conjunction with two specific versions of these models to demonstrate consistency with grid refinement for several representative problems. Naming conventions, implementation consistency, and thorough grid resolution studies are key factors necessary for success.

  18. A self-consistent field study of diblock copolymer/charged particle system morphologies for nanofiltration membranes

    International Nuclear Information System (INIS)

    Zhang, Bo; Ye, Xianggui; Edwards, Brian J.

    2013-01-01

    A combination of self-consistent field theory and density functional theory was used to examine the stable, 3-dimensional equilibrium morphologies formed by diblock copolymers with a tethered nanoparticle attached either between the two blocks or at the end of one of the blocks. Both neutral and interacting particles were examined, with and without favorable/unfavorable energetic potentials between the particles and the block segments. The phase diagrams of the various systems were constructed, allowing the identification of three types of ordered mesophases composed of lamellae, hexagonally packed cylinders, and spheroids. In particular, we examined the conditions under which the mesophases could be generated wherein the tethered particles were primarily located within the interface between the two blocks of the copolymer. Key factors influencing these properties were determined to be the particle position along the diblock chain, the interaction potentials of the blocks and particles, the block copolymer composition, and molecular weight of the copolymer

  19. Self-consistent assessment of Englert-Schwinger model on atomic properties.

    Science.gov (United States)

    Lehtomäki, Jouko; Lopez-Acevedo, Olga

    2017-12-21

    Our manuscript investigates a self-consistent solution of the statistical atom model proposed by Berthold-Georg Englert and Julian Schwinger (the ES model) and benchmarks it against atomic Kohn-Sham and two orbital-free models of the Thomas-Fermi-Dirac (TFD)-λvW family. Results show that the ES model generally offers the same accuracy as the well-known TFD-15vW model; however, the ES model corrects the failure in the Pauli potential near-nucleus region. We also point to the inability of describing low-Z atoms as the foremost concern in improving the present model.

  20. Adjoint-consistent formulations of slip models for coupled electroosmotic flow systems

    KAUST Repository

    Garg, Vikram V

    2014-09-27

    Background Models based on the Helmholtz `slip\\' approximation are often used for the simulation of electroosmotic flows. The objectives of this paper are to construct adjoint-consistent formulations of such models, and to develop adjoint-based numerical tools for adaptive mesh refinement and parameter sensitivity analysis. Methods We show that the direct formulation of the `slip\\' model is adjoint inconsistent, and leads to an ill-posed adjoint problem. We propose a modified formulation of the coupled `slip\\' model, which is shown to be well-posed, and therefore automatically adjoint-consistent. Results Numerical examples are presented to illustrate the computation and use of the adjoint solution in two-dimensional microfluidics problems. Conclusions An adjoint-consistent formulation for Helmholtz `slip\\' models of electroosmotic flows has been proposed. This formulation provides adjoint solutions that can be reliably used for mesh refinement and sensitivity analysis.

  1. Requirements for UML and OWL Integration Tool for User Data Consistency Modeling and Testing

    DEFF Research Database (Denmark)

    Nytun, J. P.; Jensen, Christian Søndergaard; Oleshchuk, V. A.

    2003-01-01

    The amount of data available on the Internet is continuously increasing, consequentially there is a growing need for tools that help to analyse the data. Testing of consistency among data received from different sources is made difficult by the number of different languages and schemas being used....... In this paper we analyze requirements for a tool that support integration of UML models and ontologies written in languages like the W3C Web Ontology Language (OWL). The tool can be used in the following way: after loading two legacy models into the tool, the tool user connects them by inserting modeling......, an important part of this technique is attaching of OCL expressions to special boolean class attributes that we call consistency attributes. The resulting integration model can be used for automatic consistency testing of two instances of the legacy models by automatically instantiate the whole integration...

  2. Stochastic approach to model fouling in membrane filters with complex pore morphology

    Science.gov (United States)

    Sanaei, Pejman; Gu, Binan; Kondic, Lou; Cummings, Linda J.

    2017-11-01

    Membrane filters are widely used in industrial applications to remove contaminants and undesired impurities (particles) from a solvent. During the filtration process the membrane internal void area becomes fouled with impurities and as a consequence the filter performance deteriorates, a process that depends on filter internal structure, particle concentration and flow dynamics. The complexity of membrane internal morphology and the random nature of the particle dynamics in the flow make the filtration and fouling challenging to predict; nonetheless, mathematical modeling can play a key role in investigating filter fouling, and in suggesting design modifications for more efficient filtration. To date, many models have been proposed to describe the effects of complexity of membrane structure, and the stochasticity of particle dynamics individually but very few studies focus on both together. In this work, we present an idealized mathematical model, in which a membrane consists of a series of bifurcating pores. Pores decrease in size as the membrane is traversed and particles are removed from the feed by adsorption within pores (which shrinks them) and stochastic sieving (pore blocking by large particles). NSF DMS 1615719.

  3. Validation study of the magnetically self-consistent inner magnetosphere model RAM-SCB

    Science.gov (United States)

    Yu, Yiqun; Jordanova, Vania; Zaharia, Sorin; Koller, Josef; Zhang, Jichun; Kistler, Lynn M.

    2012-03-01

    The validation of the magnetically self-consistent inner magnetospheric model RAM-SCB developed at Los Alamos National Laboratory is presented here. The model consists of two codes: a kinetic ring current-atmosphere interaction model (RAM) and a 3-D equilibrium magnetic field code (SCB). The validation is conducted by simulating two magnetic storm events and then comparing the model results against a variety of satellite in situ observations, including the magnetic field from Cluster and Polar spacecraft, ion differential flux from the Cluster/CODIF (Composition and Distribution Function) analyzer, and the ground-based SYM-H index. The model prediction of the magnetic field is in good agreement with observations, which indicates the model's capability of representing well the inner magnetospheric field configuration. This provides confidence for the RAM-SCB model to be utilized for field line and drift shell tracing, which are needed in radiation belt studies. While the SYM-H index, which reflects the total ring current energy content, is generally reasonably reproduced by the model using the Weimer electric field model, the modeled ion differential flux clearly depends on the electric field strength, local time, and magnetic activity level. A self-consistent electric field approach may be needed to improve the model performance in this regard.

  4. Self-consistent treatment of quark-quark interaction in MIT bag model

    CERN Document Server

    Simonis, V

    1997-01-01

    Some features of the MlT bag model are discussed with particular emphasis on static, spherical cavity approximation to the model. A self-consistent procedure for obtaining wave functions and calculating gluon exchange effects is proposed. The equations derived are similar to state-dependent relativistic Hartree-Fock equations. (author)

  5. Estimating long-term volatility parameters for market-consistent models

    African Journals Online (AJOL)

    Contemporary actuarial and accounting practices (APN 110 in the South African context) require the use of market-consistent models for the valuation of embedded investment derivatives. These models have to be calibrated with accurate and up-to-date market data. Arguably, the most important variable in the valuation of ...

  6. A parameter study of self-consistent disk models around Herbig AeBe stars

    NARCIS (Netherlands)

    Meijer, J.; Dominik, C.; de Koter, A.; Dullemond, C.P.; van Boekel, R.; Waters, L.B.F.M.

    2008-01-01

    We present a parameter study of self-consistent models of protoplanetary disks around Herbig AeBe stars. We use the code developed by Dullemond and Dominik, which solves the 2D radiative transfer problem including an iteration for the vertical hydrostatic structure of the disk. This grid of models

  7. Linking lipid architecture to bilayer structure and mechanics using self-consistent field modelling

    NARCIS (Netherlands)

    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

  8. Self-consistent field modeling of adsorption from polymer/surfactant mixtures

    NARCIS (Netherlands)

    Postmus, B.R.; Leermakers, F.A.M.; Cohen Stuart, M.A.

    2008-01-01

    We report on the development of a self-consistent field model that describes the competitive adsorption of nonionic alkyl-(ethylene oxide) surfactants and nonionic polymer poly(ethylene oxide) (PEO) from aqueous solutions onto silica. The model explicitly describes the response to the pH and the

  9. A Dry Membrane Protection Technique to Allow Surface Acoustic Wave Biosensor Measurements of Biological Model Membrane Approaches

    Directory of Open Access Journals (Sweden)

    Marius Enachescu

    2013-09-01

    Full Text Available Model membrane approaches have attracted much attention in biomedical sciences to investigate and simulate biological processes. The application of model membrane systems for biosensor measurements is partly restricted by the fact that the integrity of membranes critically depends on the maintenance of an aqueous surrounding, while various biosensors require a preconditioning of dry sensors. This is for example true for the well-established surface acoustic wave (SAW biosensor SAM®5 blue. Here, a simple drying procedure of sensor-supported model membranes is introduced using the protective disaccharide trehalose. Highly reproducible model membranes were prepared by the Langmuir-Blodgett technique, transferred to SAW sensors and supplemented with a trehalose solution. Membrane rehydration after dry incorporation into the SAW device becomes immediately evident by phase changes. Reconstituted model membranes maintain their full functionality, as indicated by biotin/avidin binding experiments. Atomic force microscopy confirmed the morphological invariability of dried and rehydrated membranes. Approximating to more physiological recognition phenomena, the site-directed immobilization of the integrin VLA-4 into the reconstituted model membrane and subsequent VCAM-1 ligand binding with nanomolar affinity were illustrated. This simple drying procedure is a novel way to combine the model membrane generation by Langmuir-Blodgett technique with SAW biosensor measurements, which extends the applicability of SAM®5 blue in biomedical sciences.

  10. Membrane Modeling, Simulation and Optimization for Propylene/Propane Separation

    KAUST Repository

    Alshehri, Ali

    2015-06-01

    Energy efficiency is critical for sustainable industrial growth and the reduction of environmental impacts. Energy consumption by the industrial sector accounts for more than half of the total global energy usage and, therefore, greater attention is focused on enhancing this sector’s energy efficiency. It is predicted that by 2020, more than 20% of today’s energy consumption can be avoided in countries that have effectively implemented an action plan towards efficient energy utilization. Breakthroughs in material synthesis of high selective membranes have enabled the technology to be more energy efficient. Hence, high selective membranes are increasingly replacing conventional energy intensive separation processes, such as distillation and adsorption units. Moreover, the technology offers more special features (which are essential for special applications) and its small footprint makes membrane technology suitable for platform operations (e.g., nitrogen enrichment for oil and gas offshore sites). In addition, its low maintenance characteristics allow the technology to be applied to remote operations. For these reasons, amongst other, the membrane technology market is forecast to reach $16 billion by 2017. This thesis is concerned with the engineering aspects of membrane technology and covers modeling, simulation and optimization of membranes as a stand-alone process or as a unit operation within a hybrid system. Incorporating the membrane model into a process modeling software simplifies the simulation and optimization of the different membrane processes and hybrid configurations, since all other unit operations are pre-configured. Various parametric analyses demonstrated that only the membrane selectivity and transmembrane pressure ratio parameters define a membrane’s ability to accomplish a certain separation task. Moreover, it was found that both membrane selectivity and pressure ratio exhibit a minimum value that is only defined by the feed composition

  11. New geometric design consistency model based on operating speed profiles for road safety evaluation.

    Science.gov (United States)

    Camacho-Torregrosa, Francisco J; Pérez-Zuriaga, Ana M; Campoy-Ungría, J Manuel; García-García, Alfredo

    2013-12-01

    To assist in the on-going effort to reduce road fatalities as much as possible, this paper presents a new methodology to evaluate road safety in both the design and redesign stages of two-lane rural highways. This methodology is based on the analysis of road geometric design consistency, a value which will be a surrogate measure of the safety level of the two-lane rural road segment. The consistency model presented in this paper is based on the consideration of continuous operating speed profiles. The models used for their construction were obtained by using an innovative GPS-data collection method that is based on continuous operating speed profiles recorded from individual drivers. This new methodology allowed the researchers to observe the actual behavior of drivers and to develop more accurate operating speed models than was previously possible with spot-speed data collection, thereby enabling a more accurate approximation to the real phenomenon and thus a better consistency measurement. Operating speed profiles were built for 33 Spanish two-lane rural road segments, and several consistency measurements based on the global and local operating speed were checked. The final consistency model takes into account not only the global dispersion of the operating speed, but also some indexes that consider both local speed decelerations and speeds over posted speeds as well. For the development of the consistency model, the crash frequency for each study site was considered, which allowed estimating the number of crashes on a road segment by means of the calculation of its geometric design consistency. Consequently, the presented consistency evaluation method is a promising innovative tool that can be used as a surrogate measure to estimate the safety of a road segment. Copyright © 2012 Elsevier Ltd. All rights reserved.

  12. Modeling CO2-facilitated transport across a diethanolamine liquid membrane

    Energy Technology Data Exchange (ETDEWEB)

    Lihong Bao; Michael C. Trachtenberg [Carbozyme Inc., Monmouth Junction, NJ (United States)

    2005-12-15

    We compared experimental and model data for the facilitated transport of CO2 from a CO2-air mixture across an aqueous solution of diethanolamine (DEA) via a hollow fiber, contained liquid membrane (HFCLM) permeator. A two-step carbamate formation model was devised to analyze the data instead of the one-step mechanism used by previous investigators. The effects of DEA concentration, liquid membrane thickness and feed CO2 concentration were also studied. With a 20% (wt) DEA liquid membrane and feed of 15% CO2 in CO2-air mixture at atmosphere pressure, the permeance reached 1.51E-8 mol/m{sup 2} s Pa with a CO2/N2 selectivity of 115. Model predictions compared well with the experimental results at CO2 concentrations of industrial importance. Short-term stability of the HFCLM permeator performance was examined. The system was stable during 5-days of testing.

  13. Modeling of Hollow-Fiber Membrane System During Ultrafiltration

    International Nuclear Information System (INIS)

    EI-Bialy, S.H.

    2004-01-01

    The present study aims to evaluate the performance of hollow fiber membrane module during ultrafiltration of aqueous solutions. The model is represented by a set of differential equations for permeate and residue pressure drop and volumetric flow rates in the axial direction, beside the principle equations of both solvent and solute fluxes through the membrane, while osmotic pressure was neglected in model equations. The shell and tube module type was considered where feed pass in the shell and permeate in the bore side. Tortousily factor of membrane pores in addition to concentration polarization modulus were taken into account in calculations. The model was solved numerically with the help of suitable program in both co current and countercurrent flow pattern and comparison of results were carried out

  14. Numerical modeling transport phenomena in proton exchange membrane fuel cells

    Science.gov (United States)

    Suh, DongMyung

    To study the coupled phenomena occurring in proton exchange membrane fuel cells, a two-phase, one-dimensional, non-isothermal model is developed in the chapter 1. The model includes water phase change, proton transport in the membrane and electro-osmotic effect. The thinnest, but most complex layer in the membrane electrode assembly, catalyst layer, is considered an interfacial boundary between the gas diffusion layer and the membrane. Mass and heat transfer and electro-chemical reaction through the catalyst layer are formulated into equations, which are applied to boundary conditions for the gas diffusion layer and the membrane. Detail accounts of the boundary equations and the numerical solving procedure used in this work are given. The polarization curve is calculated at different oxygen pressures and compared with the experimental results. When the operating condition is changed along the polarization curve, the change of physicochemical variables in the membrane electrode assembly is studied. In particular, the over-potential diagram presents the usage of the electrochemical energy at each layer of the membrane electrode assembly. Humidity in supplying gases is one of the most important factors to consider for improving the performance of PEMFE. Both high and low humidity conditions can result in a deteriorating cell performance. The effect of humidity on the cell performance is studied in the chapter 2. First, a numerical model based on computational fluid dynamics is developed. Second, the cell performances are simulated, when the relative humidity is changed from 0% to 100% in the anode and the cathode channel. The simulation results show how humidity in the reactant gases affects the water content distribution in the membrane, the over-potential at the catalyst layers and eventually the cell performance. In particular, the rapid enhancement in the cell performance caused by self-hydrating membrane is captured by the simulation. Fully humidifying either H2

  15. Continuous Modeling of Calcium Transport Through Biological Membranes

    Science.gov (United States)

    Jasielec, J. J.; Filipek, R.; Szyszkiewicz, K.; Sokalski, T.; Lewenstam, A.

    2016-08-01

    In this work an approach to the modeling of the biological membranes where a membrane is treated as a continuous medium is presented. The Nernst-Planck-Poisson model including Poisson equation for electric potential is used to describe transport of ions in the mitochondrial membrane—the interface which joins mitochondrial matrix with cellular cytosis. The transport of calcium ions is considered. Concentration of calcium inside the mitochondrion is not known accurately because different analytical methods give dramatically different results. We explain mathematically these differences assuming the complexing reaction inside mitochondrion and the existence of the calcium set-point (concentration of calcium in cytosis below which calcium stops entering the mitochondrion).

  16. Model predictive control for ethanol steam reformers with membrane separation

    OpenAIRE

    Serra, Maria; Ocampo-Martínez, Carlos; Li, Mingming; Llorca Piqué, Jordi

    2017-01-01

    © 2017. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/ This paper focuses on the dynamic modelling and the predictive control of an ethanol steam reformer (ESR) with Pdsingle bondAg membrane separation stage for the generation of pure hydrogen. Hydrogen purity necessary to feed a proton exchange membrane fuel cell (PEMFC) is required. A non-linear dynamic model of the ESR is developed together with a procedure f...

  17. A non-parametric consistency test of the ΛCDM model with Planck CMB data

    Energy Technology Data Exchange (ETDEWEB)

    Aghamousa, Amir; Shafieloo, Arman [Korea Astronomy and Space Science Institute, Daejeon 305-348 (Korea, Republic of); Hamann, Jan, E-mail: amir@aghamousa.com, E-mail: jan.hamann@unsw.edu.au, E-mail: shafieloo@kasi.re.kr [School of Physics, The University of New South Wales, Sydney NSW 2052 (Australia)

    2017-09-01

    Non-parametric reconstruction methods, such as Gaussian process (GP) regression, provide a model-independent way of estimating an underlying function and its uncertainty from noisy data. We demonstrate how GP-reconstruction can be used as a consistency test between a given data set and a specific model by looking for structures in the residuals of the data with respect to the model's best-fit. Applying this formalism to the Planck temperature and polarisation power spectrum measurements, we test their global consistency with the predictions of the base ΛCDM model. Our results do not show any serious inconsistencies, lending further support to the interpretation of the base ΛCDM model as cosmology's gold standard.

  18. Flexoelectricity of model and living membranes.

    Science.gov (United States)

    Petrov, Alexander G

    2002-03-19

    The theory and experiments on model and biomembrane flexoelectricity are reviewed. Biological implications of flexoelectricity are underlined. Molecular machinery and molecular electronics applications are pointed out.

  19. A layer model of ethanol partitioning into lipid membranes.

    Science.gov (United States)

    Nizza, David T; Gawrisch, Klaus

    2009-06-01

    The effect of membrane composition on ethanol partitioning into lipid bilayers was assessed by headspace gas chromatography. A series of model membranes with different compositions have been investigated. Membranes were exposed to a physiological ethanol concentration of 20 mmol/l. The concentration of membranes was 20 wt% which roughly corresponds to values found in tissue. Partitioning depended on the chemical nature of polar groups at the lipid/water interface. Compared to phosphatidylcholine, lipids with headgroups containing phosphatidylglycerol, phosphatidylserine, and sphingomyelin showed enhanced partitioning while headgroups containing phosphatidylethanolamine resulted in a lower partition coefficient. The molar partition coefficient was independent of a membrane's hydrophobic volume. This observation is in agreement with our previously published NMR results which showed that ethanol resides almost exclusively within the membrane/water interface. At an ethanol concentration of 20 mmol/l in water, ethanol concentrations at the lipid/water interface are in the range from 30-15 mmol/l, corresponding to one ethanol molecule per 100-200 lipids.

  20. Bioinspired model of mechanical energy harvesting based on flexoelectric membranes.

    Science.gov (United States)

    Rey, Alejandro D; Servio, P; Herrera-Valencia, E E

    2013-02-01

    Membrane flexoelectricity is an electromechanical coupling process that describes membrane electrical polarization due to bending and membrane bending under electric fields. In this paper we propose, formulate, and characterize a mechanical energy harvesting system consisting of a deformable soft flexoelectric thin membrane subjected to harmonic forcing from contacting bulk fluids. The key elements of the energy harvester are formulated and characterized, including (i) the mechanical-to-electrical energy conversion efficiency, (ii) the electromechanical shape equation connecting fluid forces with membrane curvature and electric displacement, and (iii) the electric power generation and efficiency. The energy conversion efficiency is cast as the ratio of flexoelectric coupling to the product of electric and bending elasticity. The device is described by a second-order curvature dynamics coupled to the electric displacement equation and as such results in mechanical power absorption with a resonant peak whose amplitude decreases with bending viscosity. The electric power generation is proportional to the conversion factor and the power efficiency decreases with frequency. Under high bending viscosity, the power efficiency increases with the conversion factor and under low viscosities it decreases with the conversion factor. The theoretical results presented contribute to the ongoing experimental efforts to develop mechanical energy harvesting from fluid flow energy through solid-fluid interactions and electromechanical transduction.

  1. Development of a Model for Dynamic Recrystallization Consistent with the Second Derivative Criterion

    Directory of Open Access Journals (Sweden)

    Muhammad Imran

    2017-11-01

    Full Text Available Dynamic recrystallization (DRX processes are widely used in industrial hot working operations, not only to keep the forming forces low but also to control the microstructure and final properties of the workpiece. According to the second derivative criterion (SDC by Poliak and Jonas, the onset of DRX can be detected from an inflection point in the strain-hardening rate as a function of flow stress. Various models are available that can predict the evolution of flow stress from incipient plastic flow up to steady-state deformation in the presence of DRX. Some of these models have been implemented into finite element codes and are widely used for the design of metal forming processes, but their consistency with the SDC has not been investigated. This work identifies three sources of inconsistencies that models for DRX may exhibit. For a consistent modeling of the DRX kinetics, a new strain-hardening model for the hardening stages III to IV is proposed and combined with consistent recrystallization kinetics. The model is devised in the Kocks-Mecking space based on characteristic transition in the strain-hardening rate. A linear variation of the transition and inflection points is observed for alloy 800H at all tested temperatures and strain rates. The comparison of experimental and model results shows that the model is able to follow the course of the strain-hardening rate very precisely, such that highly accurate flow stress predictions are obtained.

  2. Development of a Model for Dynamic Recrystallization Consistent with the Second Derivative Criterion.

    Science.gov (United States)

    Imran, Muhammad; Kühbach, Markus; Roters, Franz; Bambach, Markus

    2017-11-02

    Dynamic recrystallization (DRX) processes are widely used in industrial hot working operations, not only to keep the forming forces low but also to control the microstructure and final properties of the workpiece. According to the second derivative criterion (SDC) by Poliak and Jonas, the onset of DRX can be detected from an inflection point in the strain-hardening rate as a function of flow stress. Various models are available that can predict the evolution of flow stress from incipient plastic flow up to steady-state deformation in the presence of DRX. Some of these models have been implemented into finite element codes and are widely used for the design of metal forming processes, but their consistency with the SDC has not been investigated. This work identifies three sources of inconsistencies that models for DRX may exhibit. For a consistent modeling of the DRX kinetics, a new strain-hardening model for the hardening stages III to IV is proposed and combined with consistent recrystallization kinetics. The model is devised in the Kocks-Mecking space based on characteristic transition in the strain-hardening rate. A linear variation of the transition and inflection points is observed for alloy 800H at all tested temperatures and strain rates. The comparison of experimental and model results shows that the model is able to follow the course of the strain-hardening rate very precisely, such that highly accurate flow stress predictions are obtained.

  3. Molecular Interactions at Membranes

    DEFF Research Database (Denmark)

    Jagalski, Vivien

    Biological membranes are essential and complex structures in every living cell consisting of a fluid lipid bilayer sheet and membrane proteins. Its significance makes biological membranes not only interesting for medical research, but also has made it a target for toxins in the course of evolution....... Today, we know more than ever before about the properties of biological membranes. Advanced biophysical techniques and sophisticated membrane models allow us to answer specific questions about the structure of the components within membranes and their interactions. However, many detailed structural...... mechanisms of membrane compounds, including compounds associated with membranes, are still unknown due to the challenges that arise when probing the hydrophobic nature of the membrane's interior. For integral membrane proteins that span through the entire membrane, the amphiphilic environment is essential...

  4. Collaborative CAD Synchronization Based on a Symmetric and Consistent Modeling Procedure

    Directory of Open Access Journals (Sweden)

    Yiqi Wu

    2017-04-01

    Full Text Available One basic issue with collaborative computer aided design (Co-CAD is how to maintain valid and consistent modeling results across all design sites. Moreover, modeling history is important in parametric CAD modeling. Therefore, different from a typical co-editing approach, this paper proposes a novel method for Co-CAD synchronization, in which all Co-CAD sites maintain symmetric and consistent operating procedures. Consequently, the consistency of both modeling results and history can be achieved. In order to generate a valid, unique, and symmetric queue among collaborative sites, a set of correlated mechanisms is presented in this paper. Firstly, the causal relationship of operations is maintained. Secondly, the operation queue is reconstructed for partial concurrency operation, and the concurrent operation can be retrieved. Thirdly, a symmetric, concurrent operation control strategy is proposed to determine the order of operations and resolve possible conflicts. Compared with existing Co-CAD consistency methods, the proposed method is convenient and flexible in supporting collaborative design. The experiment performed based on the collaborative modeling procedure demonstrates the correctness and applicability of this work.

  5. Towards an Information Model of Consistency Maintenance in Distributed Interactive Applications

    Directory of Open Access Journals (Sweden)

    Xin Zhang

    2008-01-01

    Full Text Available A novel framework to model and explore predictive contract mechanisms in distributed interactive applications (DIAs using information theory is proposed. In our model, the entity state update scheme is modelled as an information generation, encoding, and reconstruction process. Such a perspective facilitates a quantitative measurement of state fidelity loss as a result of the distribution protocol. Results from an experimental study on a first-person shooter game are used to illustrate the utility of this measurement process. We contend that our proposed model is a starting point to reframe and analyse consistency maintenance in DIAs as a problem in distributed interactive media compression.

  6. Modeling and Simulation for Fuel Cell Polymer Electrolyte Membrane

    Directory of Open Access Journals (Sweden)

    Takahiro Hayashi

    2013-01-01

    Full Text Available We have established methods to evaluate key properties that are needed to commercialize polyelectrolyte membranes for fuel cell electric vehicles such as water diffusion, gas permeability, and mechanical strength. These methods are based on coarse-graining models. For calculating water diffusion and gas permeability through the membranes, the dissipative particle dynamics–Monte Carlo approach was applied, while mechanical strength of the hydrated membrane was simulated by coarse-grained molecular dynamics. As a result of our systematic search and analysis, we can now grasp the direction necessary to improve water diffusion, gas permeability, and mechanical strength. For water diffusion, a map that reveals the relationship between many kinds of molecular structures and diffusion constants was obtained, in which the direction to enhance the diffusivity by improving membrane structure can be clearly seen. In order to achieve high mechanical strength, the molecular structure should be such that the hydrated membrane contains narrow water channels, but these might decrease the proton conductivity. Therefore, an optimal design of the polymer structure is needed, and the developed models reviewed here make it possible to optimize these molecular structures.

  7. Interaction of Cytotoxic and Cytoprotective Bile Acids with Model Membranes: Influence of the Membrane Composition.

    Science.gov (United States)

    Esteves, M; Ferreira, M J; Kozica, A; Fernandes, A C; Gonçalves da Silva, A; Saramago, B

    2015-08-18

    To understand the role of bile acids (BAs) in cell function, many authors have investigated their effect on biomembrane models which are less complex systems, but there are still many open questions. The present study aims to contribute for the deepening of the knowledge of the interaction between BAs and model membranes, in particular, focusing on the effect of BA mixtures. The cytotoxic deoxycholic acid (DCA), the cytoprotective ursodeoxycholic acid (UDCA), and the equimolar mixture (DCA + UDCA) were investigated. Monolayers and liposomes were taken as model membranes with two lipid compositions: an equimolar mixture of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC), sphingomyelin (SM), and cholesterol (Chol)) traditionally associated with the formation of lipid rafts and an equimolar POPC/SM binary mixture. The obtained results showed that DCA causes the fluidization of monolayers and bilayers, leading to the eventual rupture of POPC/SM liposomes at high concentration. UDCA may provide a stabilization of POPC/SM membranes but has a negligible effect on the Chol-containing liposomes. In the case of equimolar mixture DCA/UDCA, the interactions depend not only on the lipid composition but also on the design of the experiment. The BA mixture has a greater impact on the monolayers than do pure BAs, suggesting a cooperative DCA-UDCA interaction that enhances the penetration of UDCA in both POPC/SM and POPC/SM/Chol monolayers. For the bilayers, the presence of UDCA in the mixture decreases the disturbing effect of DCA.

  8. A pedestal temperature model with self-consistent calculation of safety factor and magnetic shear

    International Nuclear Information System (INIS)

    Onjun, T; Siriburanon, T; Onjun, O

    2008-01-01

    A pedestal model based on theory-motivated models for the pedestal width and the pedestal pressure gradient is developed for the temperature at the top of the H-mode pedestal. The pedestal width model based on magnetic shear and flow shear stabilization is used in this study, where the pedestal pressure gradient is assumed to be limited by first stability of infinite n ballooning mode instability. This pedestal model is implemented in the 1.5D BALDUR integrated predictive modeling code, where the safety factor and magnetic shear are solved self-consistently in both core and pedestal regions. With the self-consistently approach for calculating safety factor and magnetic shear, the effect of bootstrap current can be correctly included in the pedestal model. The pedestal model is used to provide the boundary conditions in the simulations and the Multi-mode core transport model is used to describe the core transport. This new integrated modeling procedure of the BALDUR code is used to predict the temperature and density profiles of 26 H-mode discharges. Simulations are carried out for 13 discharges in the Joint European Torus and 13 discharges in the DIII-D tokamak. The average root-mean-square deviation between experimental data and the predicted profiles of the temperature and the density, normalized by their central values, is found to be about 14%

  9. A self-consistent kinetic modeling of a 1-D, bounded, plasma in ...

    Indian Academy of Sciences (India)

    Abstract. A self-consistent kinetic treatment is presented here, where the Boltzmann equation is solved for a particle ... This paper reports on the findings of a kinetic code that retains col- lisions and sources, models ..... was used in the runs reported in this paper, the source of particles is modified from the explicit source Л(Ъ).

  10. A new self-consistent model for thermodynamics of binary solutions

    Czech Academy of Sciences Publication Activity Database

    Svoboda, Jiří; Shan, Y. V.; Fischer, F. D.

    2015-01-01

    Roč. 108, NOV (2015), s. 27-30 ISSN 1359-6462 R&D Projects: GA ČR(CZ) GA14-24252S Institutional support: RVO:68081723 Keywords : Thermodynamics * Analytical methods * CALPHAD * Phase diagram * Self-consistent model Subject RIV: BJ - Thermodynamics Impact factor: 3.305, year: 2015

  11. Topologically Consistent Models for Efficient Big Geo-Spatio Data Distribution

    Science.gov (United States)

    Jahn, M. W.; Bradley, P. E.; Doori, M. Al; Breunig, M.

    2017-10-01

    Geo-spatio-temporal topology models are likely to become a key concept to check the consistency of 3D (spatial space) and 4D (spatial + temporal space) models for emerging GIS applications such as subsurface reservoir modelling or the simulation of energy and water supply of mega or smart cities. Furthermore, the data management for complex models consisting of big geo-spatial data is a challenge for GIS and geo-database research. General challenges, concepts, and techniques of big geo-spatial data management are presented. In this paper we introduce a sound mathematical approach for a topologically consistent geo-spatio-temporal model based on the concept of the incidence graph. We redesign DB4GeO, our service-based geo-spatio-temporal database architecture, on the way to the parallel management of massive geo-spatial data. Approaches for a new geo-spatio-temporal and object model of DB4GeO meeting the requirements of big geo-spatial data are discussed in detail. Finally, a conclusion and outlook on our future research are given on the way to support the processing of geo-analytics and -simulations in a parallel and distributed system environment.

  12. Global Proteomic Analysis Reveals an Exclusive Role of Thylakoid Membranes in Bioenergetics of a Model Cyanobacterium

    Energy Technology Data Exchange (ETDEWEB)

    Liberton, Michelle; Saha, Rajib; Jacobs, Jon M.; Nguyen, Amelia Y.; Gritsenko, Marina A.; Smith, Richard D.; Koppenaal, David W.; Pakrasi, Himadri B.

    2016-04-07

    Cyanobacteria are photosynthetic microbes with highly differentiated membrane systems. These organisms contain an outer membrane, plasma membrane, and an internal system of thylakoid membranes where the photosynthetic and respiratory machinery are found. This existence of compartmentalization and differentiation of membrane systems poses a number of challenges for cyanobacterial cells in terms of organization and distribution of proteins to the correct membrane system. Proteomics studies have long sought to identify the components of the different membrane systems, and to date about 450 different proteins have been attributed to either the plasma membrane or thylakoid membrane. Given the complexity of these membranes, many more proteins remain to be identified in these membrane systems, and a comprehensive catalog of plasma membrane and thylakoid membrane proteins is needed. Here we describe the identification of 635 proteins in Synechocystis sp. PCC 6803 by quantitative iTRAQ isobaric labeling; of these, 459 proteins were localized to the plasma membrane and 176 were localized to the thylakoid membrane. Surprisingly, we found over 2.5 times the number of unique proteins identified in the plasma membrane compared to the thylakoid membrane. This suggests that the protein composition of the thylakoid membrane is more homogeneous than the plasma membrane, consistent with the role of the plasma membrane in diverse cellular processes including protein trafficking and nutrient import, compared to a more specialized role for the thylakoid membrane in cellular energetics. Overall, the protein composition of the Synechocystis 6803 plasma membrane and thylakoid membrane is quite similar to the E.coli plasma membrane and Arabidopsis thylakoid membrane, respectively. Synechocystis 6803 can therefore be described as a gram-negative bacterium that has an additional internal membrane system that fulfils the energetic requirements of the cell.

  13. Global Proteomic Analysis Reveals an Exclusive Role of Thylakoid Membranes in Bioenergetics of a Model Cyanobacterium

    Energy Technology Data Exchange (ETDEWEB)

    Liberton, Michelle; Saha, Rajib; Jacobs, Jon M.; Nguyen, Amelia Y.; Gritsenko, Marina A.; Smith, Richard D.; Koppenaal, David W.; Pakrasi, Himadri B.

    2016-04-07

    Cyanobacteria are photosynthetic microbes with highlydifferentiated membrane systems. These organisms contain an outer membrane, plasma membrane, and an internal system of thylakoid membranes where the photosynthetic and respiratory machinery are found. This existence of compartmentalization and differentiation of membrane systems poses a number of challenges for cyanobacterial cells in terms of organization and distribution of proteins to the correct membrane system. Proteomics studies have long sought to identify the components of the different membrane systems in cyanobacteria, and to date about 450 different proteins have been attributed to either the plasma membrane or thylakoid membrane. Given the complexity of these membranes, many more proteins remain to be identified, and a comprehensive catalogue of plasma membrane and thylakoid membrane proteins is needed. Here we describe the identification of 635 differentially localized proteins in Synechocystis sp. PCC 6803 by quantitative iTRAQ isobaric labeling; of these, 459 proteins were localized to the plasma membrane and 176 were localized to the thylakoid membrane. Surprisingly, we found over 2.5 times the number of unique proteins identified in the plasma membrane compared with the thylakoid membrane. This suggests that the protein composition of the thylakoid membrane is more homogeneous than the plasma membrane, consistent with the role of the plasma membrane in diverse cellular processes including protein trafficking and nutrient import, compared with a more specialized role for the thylakoid membrane in cellular energetics. Thus, our data clearly define the two membrane systems with distinct functions. Overall, the protein compositions of the Synechocystis 6803 plasma membrane and thylakoid membrane are quite similar to that of the plasma membrane of Escherichia coli and thylakoid membrane of Arabidopsis chloroplasts, respectively. Synechocystis 6803 can therefore be described as a Gram

  14. DMFC Performance of Polymer Electrolyte Membranes Prepared from a Graft-Copolymer Consisting of a Polysulfone Main Chain and Styrene Sulfonic Acid Side Chains

    Directory of Open Access Journals (Sweden)

    Nobutaka Endo

    2016-08-01

    Full Text Available Polymer electrolyte membranes (PEMs for direct methanol fuel cell (DMFC applications were prepared from a graft-copolymer (PSF-g-PSSA consisting of a polysulfone (PSF main chain and poly(styrene sulfonic acid (PSSA side chains with various average distances between side chains (Lav and side chain lengths (Lsc. The polymers were synthesized by grafting ethyl p-styrenesulfonate (EtSS on macro-initiators of chloromethylated polysulfone with different contents of chloromethyl (CM groups, and by changing EtSS content in the copolymers by using atom transfer radical polymerization (ATRP. The DMFC performance tests using membrane electrode assemblis (MEAs with the three types of the PEMs revealed that: a PSF-g-PSSA PEM (SF-6 prepared from a graft copolymer with short average distances between side chains (Lav and medium Lsc had higher DMFC performance than PEMs with long Lav and long Lsc or with short Lav and short Lsc. SF-6 had about two times higher PDmax (68.4 mW/cm2 than Nafion® 112 at 30 wt % of methanol concentration. Furthermore, it had 58.2 mW/cm2 of PDmax at 50 wt % of methanol concentration because of it has the highest proton selectivity during DMFC operation of all the PSF-g-PSSA PEMs and Nafion® 112.

  15. Tissuepatch is biocompatible and seals iatrogenic membrane defects in a rabbit model.

    Science.gov (United States)

    Engels, Alexander C; Joyeux, Luc; Van der Merwe, Johannes; Jimenez, Julio; Prapanus, Savitree; Barrett, David W; Connon, Che; Chowdhury, Tina T; David, Anna L; Deprest, Jan

    2018-01-01

    To evaluate novel sealing techniques for their biocompatibility and sealing capacity of iatrogenic fetal membrane defects in a pregnant rabbit model. At day 23 of gestation (term = d31), a standardized fetoscopy was performed through a 14G cannula. The resulting fetal membrane defect was closed with condensed collagen, collagen with fibrinogen, Tissuepatch, Duraseal, or a conventional collagen plug (Lyostypt) as reference. At d30, the fetuses were harvested and full thickness fetal membrane samples were analyzed. The study consisted of 2 consecutive parts: (1) biocompatibility testing by fetal survival, apoptosis, and infiltration of polymorphonuclear cells in the membranes and (2) the efficacy to seal fetal membrane defects. Three sealants (collagen with fibrinogen, Duraseal, or Lyostypt) were associated with a higher fetal mortality compared to control unmanipulated littermates and hence were excluded from further analysis. Tissuepatch was biocompatible, and amniotic fluid levels were comparable to those of control untouched littermates. Compared to the condensed collagen, Tissuepatch was also easier in surgical handling and induced limited cell proliferation. Tissuepatch had the best biocompatibility and efficacy in sealing an iatrogenic fetal membrane defect in the pregnant rabbit compared to other readily available sealants. © 2017 John Wiley & Sons, Ltd.

  16. Numerical simulation of a thermodynamically consistent four-species tumor growth model.

    Science.gov (United States)

    Hawkins-Daarud, Andrea; van der Zee, Kristoffer G; Oden, J Tinsley

    2012-01-01

    In this paper, we develop a thermodynamically consistent four-species model of tumor growth on the basis of the continuum theory of mixtures. Unique to this model is the incorporation of nutrient within the mixture as opposed to being modeled with an auxiliary reaction-diffusion equation. The formulation involves systems of highly nonlinear partial differential equations of surface effects through diffuse-interface models. A mixed finite element spatial discretization is developed and implemented to provide numerical results demonstrating the range of solutions this model can produce. A time-stepping algorithm is then presented for this system, which is shown to be first order accurate and energy gradient stable. The results of an array of numerical experiments are presented, which demonstrate a wide range of solutions produced by various choices of model parameters.

  17. Self-consistency in the phonon space of the particle-phonon coupling model

    Science.gov (United States)

    Tselyaev, V.; Lyutorovich, N.; Speth, J.; Reinhard, P.-G.

    2018-04-01

    In the paper the nonlinear generalization of the time blocking approximation (TBA) is presented. The TBA is one of the versions of the extended random-phase approximation (RPA) developed within the Green-function method and the particle-phonon coupling model. In the generalized version of the TBA the self-consistency principle is extended onto the phonon space of the model. The numerical examples show that this nonlinear version of the TBA leads to the convergence of results with respect to enlarging the phonon space of the model.

  18. ICFD modeling of final settlers - developing consistent and effective simulation model structures

    DEFF Research Database (Denmark)

    Plósz, Benedek G.; Guyonvarch, Estelle; Ramin, Elham

    Summary of key findings The concept of interpreted computational fluid dynamic (iCFD) modelling and the development methodology are presented (Fig. 1). The 1-D advection-dispersion model along with the statistically generated, meta-model for pseudo-dispersion constitutes the newly developed i...... nine different model structures based on literature (1; 3; 2; 10; 9) and on more recent considerations (Fig. 2a). Validation tests were done using the CFD outputs from extreme scenarios. The most effective model structure (relatively low the sum of square of relative errors, SSRE, and computational...... time) obtained is that in which the XTC is set at the concentration of the layer just below the feed-layer. The feed-layer location is set to the highest location where X>Xin (solids concentration in SST influent). An effective discretization level (computational time/numerical error) is assessed...

  19. Mathematical modelling of dextran filtration through hollow fibre membranes

    DEFF Research Database (Denmark)

    Vinther, Frank; Pinelo, Manuel; Brøns, Morten

    2014-01-01

    In this paper we present a mathematical model of an ultrafiltration process. The results of the model are produced using standard numerical techniques with Comsol Multiphysics. The model describes the fluid flow and separation in hollow fibre membranes. The flow of solute and solvent within...... dependent viscosity. The model shows that both the observed and intrinsic rejection increase when the inlet velocity increases. Moreover, the intrinsic rejection increases as a function of transmembrane pressure, but the observed rejection has a characteristic maximum. Therefore, the observed rejection can...... either increase or decrease as a function of pressure. The influence of a concentration dependent viscosity is to increase the concentration on the membrane surface. This leads to a decrease in both the observed and the intrinsic rejection, when compared to a constant viscosity. For small values...

  20. Self-consistent multidimensional electron kinetic model for inductively coupled plasma sources

    Science.gov (United States)

    Dai, Fa Foster

    Inductively coupled plasma (ICP) sources have received increasing interest in microelectronics fabrication and lighting industry. In 2-D configuration space (r, z) and 2-D velocity domain (νθ,νz), a self- consistent electron kinetic analytic model is developed for various ICP sources. The electromagnetic (EM) model is established based on modal analysis, while the kinetic analysis gives the perturbed Maxwellian distribution of electrons by solving Boltzmann-Vlasov equation. The self- consistent algorithm combines the EM model and the kinetic analysis by updating their results consistently until the solution converges. The closed-form solutions in the analytical model provide rigorous and fast computing for the EM fields and the electron kinetic behavior. The kinetic analysis shows that the RF energy in an ICP source is extracted by a collisionless dissipation mechanism, if the electron thermovelocity is close to the RF phase velocities. A criterion for collisionless damping is thus given based on the analytic solutions. To achieve uniformly distributed plasma for plasma processing, we propose a novel discharge structure with both planar and vertical coil excitations. The theoretical results demonstrate improved uniformity for the excited azimuthal E-field in the chamber. Non-monotonic spatial decay in electric field and space current distributions was recently observed in weakly- collisional plasmas. The anomalous skin effect is found to be responsible for this phenomenon. The proposed model successfully models the non-monotonic spatial decay effect and achieves good agreements with the measurements for different applied RF powers. The proposed analytical model is compared with other theoretical models and different experimental measurements. The developed model is also applied to two kinds of ICP discharges used for electrodeless light sources. One structure uses a vertical internal coil antenna to excite plasmas and another has a metal shield to prevent the

  1. Stochastic lattice model of synaptic membrane protein domains

    Science.gov (United States)

    Li, Yiwei; Kahraman, Osman; Haselwandter, Christoph A.

    2017-05-01

    Neurotransmitter receptor molecules, concentrated in synaptic membrane domains along with scaffolds and other kinds of proteins, are crucial for signal transmission across chemical synapses. In common with other membrane protein domains, synaptic domains are characterized by low protein copy numbers and protein crowding, with rapid stochastic turnover of individual molecules. We study here in detail a stochastic lattice model of the receptor-scaffold reaction-diffusion dynamics at synaptic domains that was found previously to capture, at the mean-field level, the self-assembly, stability, and characteristic size of synaptic domains observed in experiments. We show that our stochastic lattice model yields quantitative agreement with mean-field models of nonlinear diffusion in crowded membranes. Through a combination of analytic and numerical solutions of the master equation governing the reaction dynamics at synaptic domains, together with kinetic Monte Carlo simulations, we find substantial discrepancies between mean-field and stochastic models for the reaction dynamics at synaptic domains. Based on the reaction and diffusion properties of synaptic receptors and scaffolds suggested by previous experiments and mean-field calculations, we show that the stochastic reaction-diffusion dynamics of synaptic receptors and scaffolds provide a simple physical mechanism for collective fluctuations in synaptic domains, the molecular turnover observed at synaptic domains, key features of the observed single-molecule trajectories, and spatial heterogeneity in the effective rates at which receptors and scaffolds are recycled at the cell membrane. Our work sheds light on the physical mechanisms and principles linking the collective properties of membrane protein domains to the stochastic dynamics that rule their molecular components.

  2. Stochastic lattice model of synaptic membrane protein domains.

    Science.gov (United States)

    Li, Yiwei; Kahraman, Osman; Haselwandter, Christoph A

    2017-05-01

    Neurotransmitter receptor molecules, concentrated in synaptic membrane domains along with scaffolds and other kinds of proteins, are crucial for signal transmission across chemical synapses. In common with other membrane protein domains, synaptic domains are characterized by low protein copy numbers and protein crowding, with rapid stochastic turnover of individual molecules. We study here in detail a stochastic lattice model of the receptor-scaffold reaction-diffusion dynamics at synaptic domains that was found previously to capture, at the mean-field level, the self-assembly, stability, and characteristic size of synaptic domains observed in experiments. We show that our stochastic lattice model yields quantitative agreement with mean-field models of nonlinear diffusion in crowded membranes. Through a combination of analytic and numerical solutions of the master equation governing the reaction dynamics at synaptic domains, together with kinetic Monte Carlo simulations, we find substantial discrepancies between mean-field and stochastic models for the reaction dynamics at synaptic domains. Based on the reaction and diffusion properties of synaptic receptors and scaffolds suggested by previous experiments and mean-field calculations, we show that the stochastic reaction-diffusion dynamics of synaptic receptors and scaffolds provide a simple physical mechanism for collective fluctuations in synaptic domains, the molecular turnover observed at synaptic domains, key features of the observed single-molecule trajectories, and spatial heterogeneity in the effective rates at which receptors and scaffolds are recycled at the cell membrane. Our work sheds light on the physical mechanisms and principles linking the collective properties of membrane protein domains to the stochastic dynamics that rule their molecular components.

  3. Effects of phenylpropanolamine (PPA) on in vitro human erythrocyte membranes and molecular models

    International Nuclear Information System (INIS)

    Suwalsky, Mario; Zambrano, Pablo; Mennickent, Sigrid; Villena, Fernando; Sotomayor, Carlos P.; Aguilar, Luis F.; Bolognin, Silvia

    2011-01-01

    Research highlights: → PPA is a common ingredient in cough-cold medication and appetite suppressants. → Reports on its effects on human erythrocytes are very scarce. → We found that PPA induced in vitro morphological changes to human erythrocytes. → PPA interacted with isolated unsealed human erythrocyte membranes. → PPA interacted with class of lipid present in the erythrocyte membrane outer monolayer. -- Abstract: Norephedrine, also called phenylpropanolamine (PPA), is a synthetic form of the ephedrine alkaloid. After reports of the occurrence of intracranial hemorrhage and other adverse effects, including several deaths, PPA is no longer sold in USA and Canada. Despite the extensive information about PPA toxicity, reports on its effects on cell membranes are scarce. With the aim to better understand the molecular mechanisms of the interaction of PPA with cell membranes, ranges of concentrations were incubated with intact human erythrocytes, isolated unsealed human erythrocyte membranes (IUM), and molecular models of cell membranes. The latter consisted in bilayers built-up of dimyristoylphosphatidylcholine (DMPC) and dimyristoylphosphatidylethanolamine (DMPE), phospholipid classes present in the outer and inner monolayers of most plasmatic cell membranes, respectively. The capacity of PPA to perturb the bilayer structures of DMPC and DMPE was assessed by X-ray diffraction, DMPC large unilamellar vesicles (LUV) and IUM were studied by fluorescence spectroscopy, and intact human erythrocytes were observed by scanning electron microscopy (SEM). This study presents evidence that PPA affects human red cell membranes as follows: (a) in SEM studies on human erythrocytes it was observed that 0.5 mM PPA induced shape changes; (b) in IUM PPA induced a sharp decrease in the fluorescence anisotropy in the lipid bilayer acyl chains in a concentration range lower than 100 μM; (c) X-ray diffraction studies showed that PPA in the 0.1-0.5 mM range induced increasing

  4. Genetic Algorithm-Based Model Order Reduction of Aeroservoelastic Systems with Consistant States

    Science.gov (United States)

    Zhu, Jin; Wang, Yi; Pant, Kapil; Suh, Peter M.; Brenner, Martin J.

    2017-01-01

    This paper presents a model order reduction framework to construct linear parameter-varying reduced-order models of flexible aircraft for aeroservoelasticity analysis and control synthesis in broad two-dimensional flight parameter space. Genetic algorithms are used to automatically determine physical states for reduction and to generate reduced-order models at grid points within parameter space while minimizing the trial-and-error process. In addition, balanced truncation for unstable systems is used in conjunction with the congruence transformation technique to achieve locally optimal realization and weak fulfillment of state consistency across the entire parameter space. Therefore, aeroservoelasticity reduced-order models at any flight condition can be obtained simply through model interpolation. The methodology is applied to the pitch-plant model of the X-56A Multi-Use Technology Testbed currently being tested at NASA Armstrong Flight Research Center for flutter suppression and gust load alleviation. The present studies indicate that the reduced-order model with more than 12× reduction in the number of states relative to the original model is able to accurately predict system response among all input-output channels. The genetic-algorithm-guided approach exceeds manual and empirical state selection in terms of efficiency and accuracy. The interpolated aeroservoelasticity reduced order models exhibit smooth pole transition and continuously varying gains along a set of prescribed flight conditions, which verifies consistent state representation obtained by congruence transformation. The present model order reduction framework can be used by control engineers for robust aeroservoelasticity controller synthesis and novel vehicle design.

  5. Consistent biases in Antarctic sea ice concentration simulated by climate models

    Science.gov (United States)

    Roach, Lettie A.; Dean, Samuel M.; Renwick, James A.

    2018-01-01

    The simulation of Antarctic sea ice in global climate models often does not agree with observations. In this study, we examine the compactness of sea ice, as well as the regional distribution of sea ice concentration, in climate models from the latest Coupled Model Intercomparison Project (CMIP5) and in satellite observations. We find substantial differences in concentration values between different sets of satellite observations, particularly at high concentrations, requiring careful treatment when comparing to models. As a fraction of total sea ice extent, models simulate too much loose, low-concentration sea ice cover throughout the year, and too little compact, high-concentration cover in the summer. In spite of the differences in physics between models, these tendencies are broadly consistent across the population of 40 CMIP5 simulations, a result not previously highlighted. Separating models with and without an explicit lateral melt term, we find that inclusion of lateral melt may account for overestimation of low-concentration cover. Targeted model experiments with a coupled ocean-sea ice model show that choice of constant floe diameter in the lateral melt scheme can also impact representation of loose ice. This suggests that current sea ice thermodynamics contribute to the inadequate simulation of the low-concentration regime in many models.

  6. Consistent constitutive modeling of metallic target penetration using empirical, analytical, and numerical penetration models

    Directory of Open Access Journals (Sweden)

    John (Jack P. Riegel III

    2016-04-01

    Full Text Available Historically, there has been little correlation between the material properties used in (1 empirical formulae, (2 analytical formulations, and (3 numerical models. The various regressions and models may each provide excellent agreement for the depth of penetration into semi-infinite targets. But the input parameters for the empirically based procedures may have little in common with either the analytical model or the numerical model. This paper builds on previous work by Riegel and Anderson (2014 to show how the Effective Flow Stress (EFS strength model, based on empirical data, can be used as the average flow stress in the analytical Walker–Anderson Penetration model (WAPEN (Anderson and Walker, 1991 and how the same value may be utilized as an effective von Mises yield strength in numerical hydrocode simulations to predict the depth of penetration for eroding projectiles at impact velocities in the mechanical response regime of the materials. The method has the benefit of allowing the three techniques (empirical, analytical, and numerical to work in tandem. The empirical method can be used for many shot line calculations, but more advanced analytical or numerical models can be employed when necessary to address specific geometries such as edge effects or layering that are not treated by the simpler methods. Developing complete constitutive relationships for a material can be costly. If the only concern is depth of penetration, such a level of detail may not be required. The effective flow stress can be determined from a small set of depth of penetration experiments in many cases, especially for long penetrators such as the L/D = 10 ones considered here, making it a very practical approach. In the process of performing this effort, the authors considered numerical simulations by other researchers based on the same set of experimental data that the authors used for their empirical and analytical assessment. The goals were to establish a

  7. A semi-nonparametric mixture model for selecting functionally consistent proteins.

    Science.gov (United States)

    Yu, Lianbo; Doerge, Rw

    2010-09-28

    High-throughput technologies have led to a new era of proteomics. Although protein microarray experiments are becoming more common place there are a variety of experimental and statistical issues that have yet to be addressed, and that will carry over to new high-throughput technologies unless they are investigated. One of the largest of these challenges is the selection of functionally consistent proteins. We present a novel semi-nonparametric mixture model for classifying proteins as consistent or inconsistent while controlling the false discovery rate and the false non-discovery rate. The performance of the proposed approach is compared to current methods via simulation under a variety of experimental conditions. We provide a statistical method for selecting functionally consistent proteins in the context of protein microarray experiments, but the proposed semi-nonparametric mixture model method can certainly be generalized to solve other mixture data problems. The main advantage of this approach is that it provides the posterior probability of consistency for each protein.

  8. Consistency Analysis of Genome-Scale Models of Bacterial Metabolism: A Metamodel Approach.

    Science.gov (United States)

    Ponce-de-Leon, Miguel; Calle-Espinosa, Jorge; Peretó, Juli; Montero, Francisco

    2015-01-01

    Genome-scale metabolic models usually contain inconsistencies that manifest as blocked reactions and gap metabolites. With the purpose to detect recurrent inconsistencies in metabolic models, a large-scale analysis was performed using a previously published dataset of 130 genome-scale models. The results showed that a large number of reactions (~22%) are blocked in all the models where they are present. To unravel the nature of such inconsistencies a metamodel was construed by joining the 130 models in a single network. This metamodel was manually curated using the unconnected modules approach, and then, it was used as a reference network to perform a gap-filling on each individual genome-scale model. Finally, a set of 36 models that had not been considered during the construction of the metamodel was used, as a proof of concept, to extend the metamodel with new biochemical information, and to assess its impact on gap-filling results. The analysis performed on the metamodel allowed to conclude: 1) the recurrent inconsistencies found in the models were already present in the metabolic database used during the reconstructions process; 2) the presence of inconsistencies in a metabolic database can be propagated to the reconstructed models; 3) there are reactions not manifested as blocked which are active as a consequence of some classes of artifacts, and; 4) the results of an automatic gap-filling are highly dependent on the consistency and completeness of the metamodel or metabolic database used as the reference network. In conclusion the consistency analysis should be applied to metabolic databases in order to detect and fill gaps as well as to detect and remove artifacts and redundant information.

  9. Self-consistent Dark Matter simplified models with an s-channel scalar mediator

    International Nuclear Information System (INIS)

    Bell, Nicole F.; Busoni, Giorgio; Sanderson, Isaac W.

    2017-01-01

    We examine Simplified Models in which fermionic DM interacts with Standard Model (SM) fermions via the exchange of an s -channel scalar mediator. The single-mediator version of this model is not gauge invariant, and instead we must consider models with two scalar mediators which mix and interfere. The minimal gauge invariant scenario involves the mixing of a new singlet scalar with the Standard Model Higgs boson, and is tightly constrained. We construct two Higgs doublet model (2HDM) extensions of this scenario, where the singlet mixes with the 2nd Higgs doublet. Compared with the one doublet model, this provides greater freedom for the masses and mixing angle of the scalar mediators, and their coupling to SM fermions. We outline constraints on these models, and discuss Yukawa structures that allow enhanced couplings, yet keep potentially dangerous flavour violating processes under control. We examine the direct detection phenomenology of these models, accounting for interference of the scalar mediators, and interference of different quarks in the nucleus. Regions of parameter space consistent with direct detection measurements are determined.

  10. A Mathematical Model of Membrane Gas Separation with Energy Transfer by Molecules of Gas Flowing in a Channel to Molecules Penetrating this Channel from the Adjacent Channel

    OpenAIRE

    Szwast Maciej; Szwast Zbigniew

    2015-01-01

    The paper presents the mathematical modelling of selected isothermal separation processes of gaseous mixtures, taking place in plants using membranes, in particular nonporous polymer membranes. The modelling concerns membrane modules consisting of two channels - the feeding and the permeate channels. Different shapes of the channels cross-section were taken into account. Consideration was given to co-current and counter-current flows, for feeding and permeate streams, respectively, flowing to...

  11. 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

  12. Alfven-wave particle interaction in finite-dimensional self-consistent field model

    International Nuclear Information System (INIS)

    Padhye, N.; Horton, W.

    1998-01-01

    A low-dimensional Hamiltonian model is derived for the acceleration of ions in finite amplitude Alfven waves in a finite pressure plasma sheet. The reduced low-dimensional wave-particle Hamiltonian is useful for describing the reaction of the accelerated ions on the wave amplitudes and phases through the self-consistent fields within the envelope approximation. As an example, the authors show for a single Alfven wave in the central plasma sheet of the Earth's geotail, modeled by the linear pinch geometry called the Harris sheet, the time variation of the wave amplitude during the acceleration of fast protons

  13. Self-consistent nonlinearly polarizable shell-model dynamics for ferroelectric materials

    International Nuclear Information System (INIS)

    Mkam Tchouobiap, S.E.; Kofane, T.C.; Ngabireng, C.M.

    2002-11-01

    We investigate the dynamical properties of the polarizable shellmodel with a symmetric double Morse-type electron-ion interaction in one ionic species. A variational calculation based on the Self-Consistent Einstein Model (SCEM) shows that a theoretical ferroelectric (FE) transition temperature can be derive which demonstrates the presence of a first-order phase transition for the potassium selenate (K 2 SeO 4 ) crystal around Tc 91.5 K. Comparison of the model calculation with the experimental critical temperature yields satisfactory agreement. (author)

  14. A consistent modelling methodology for secondary settling tanks: a reliable numerical method.

    Science.gov (United States)

    Bürger, Raimund; Diehl, Stefan; Farås, Sebastian; Nopens, Ingmar; Torfs, Elena

    2013-01-01

    The consistent modelling methodology for secondary settling tanks (SSTs) leads to a partial differential equation (PDE) of nonlinear convection-diffusion type as a one-dimensional model for the solids concentration as a function of depth and time. This PDE includes a flux that depends discontinuously on spatial position modelling hindered settling and bulk flows, a singular source term describing the feed mechanism, a degenerating term accounting for sediment compressibility, and a dispersion term for turbulence. In addition, the solution itself is discontinuous. A consistent, reliable and robust numerical method that properly handles these difficulties is presented. Many constitutive relations for hindered settling, compression and dispersion can be used within the model, allowing the user to switch on and off effects of interest depending on the modelling goal as well as investigate the suitability of certain constitutive expressions. Simulations show the effect of the dispersion term on effluent suspended solids and total sludge mass in the SST. The focus is on correct implementation whereas calibration and validation are not pursued.

  15. Development of a self-consistent lightning NOx simulation in large-scale 3-D models

    Science.gov (United States)

    Luo, Chao; Wang, Yuhang; Koshak, William J.

    2017-03-01

    We seek to develop a self-consistent representation of lightning NOx (LNOx) simulation in a large-scale 3-D model. Lightning flash rates are parameterized functions of meteorological variables related to convection. We examine a suite of such variables and find that convective available potential energy and cloud top height give the best estimates compared to July 2010 observations from ground-based lightning observation networks. Previous models often use lightning NOx vertical profiles derived from cloud-resolving model simulations. An implicit assumption of such an approach is that the postconvection lightning NOx vertical distribution is the same for all deep convection, regardless of geographic location, time of year, or meteorological environment. Detailed observations of the lightning channel segment altitude distribution derived from the NASA Lightning Nitrogen Oxides Model can be used to obtain the LNOx emission profile. Coupling such a profile with model convective transport leads to a more self-consistent lightning distribution compared to using prescribed postconvection profiles. We find that convective redistribution appears to be a more important factor than preconvection LNOx profile selection, providing another reason for linking the strength of convective transport to LNOx distribution.

  16. An Ice Model That is Consistent with Composite Rheology in GIA Modelling

    Science.gov (United States)

    Huang, P.; Patrick, W.

    2017-12-01

    There are several popular approaches in constructing ice history models. One of them is mainly based on thermo-mechanical ice models with forcing or boundary conditions inferred from paleoclimate data. The second one is mainly based on the observed response of the Earth to glacial loading and unloading, a process called Glacial Isostatic Adjustment or GIA. The third approach is a hybrid version of the first and second approaches. In this presentation, we will follow the second approach which also uses geological data such as ice flow, terminal moraine data and simple ice dynamic for the ice sheet re-construction (Peltier & Andrew 1976). The global ice model ICE-6G (Peltier et al. 2015) and all its predecessors (Tushingham & Peltier 1991, Peltier 1994, 1996, 2004, Lambeck et al. 2014) are constructed this way with the assumption that mantle rheology is linear. However, high temperature creep experiments on mantle rocks show that non-linear creep laws can also operate in the mantle. Since both linear (e.g. diffusion creep) and non-linear (e.g. dislocation) creep laws can operate simultaneously in the mantle, mantle rheology is likely composite, where the total creep is the sum of both linear and onlinear creep. Preliminary GIA studies found that composite rheology can fit regional RSL observations better than that from linear rheology(e.g. van der Wal et al. 2010). The aim of this paper is to construct ice models in Laurentia and Fennoscandia using this second approach, but with composite rheology, so that its predictions can fit GIA observations such as global RSL data, land uplift rate and g-dot simultaneously in addition to geological data and simple ice dynamics. The g-dot or gravity-rate-of-change data is from the GRACE gravity mission but with the effects of hydrology removed. Our GIA model is based on the Coupled Laplace-Finite Element method as described in Wu(2004) and van der Wal et al.(2010). It is found that composite rheology generally supports a thicker

  17. More hyperelastic models for rubber-like materials: consistent tangent operators and comparative study

    Science.gov (United States)

    Hossain, Mokarram; Steinmann, Paul

    2013-06-01

    Rubber-like materials can deform largely and nonlinearly upon loading, and they return to the initial configuration when the load is removed. Such rubber elasticity is achieved due to very flexible long-chain molecules and a three-dimensional network structure that is formed via cross-linking or entanglements between molecules. Over the years, to model the mechanical behavior of such randomly oriented microstructures, several phenomenological and micromechanically motivated network models for nearly incompressible hyperelastic polymeric materials have been proposed in the literature. To implement these models for polymeric material (undoubtedly with widespread engineering applications) in the finite element framework for solving a boundary value problem, one would require two important ingredients, i.e., the stress tensor and the consistent fourth-order tangent operator, where the latter is the result of linearization of the former. In our previous work, 14 such material models are reviewed by deriving the accurate stress tensors and tangent operators from a group of phenomenological and micromechanical models at large deformations. The current contribution will supplement some further important models that were not included in the previous work. For comparison of all selected models in reproducing the well-known Treloar data, the analytical expressions for the three homogeneous defomation modes, i.e., uniaxial tension, equibiaxial tension, and pure shear, have been derived and the performances of the models are analyzed.

  18. Possible world based consistency learning model for clustering and classifying uncertain data.

    Science.gov (United States)

    Liu, Han; Zhang, Xianchao; Zhang, Xiaotong

    2018-06-01

    Possible world has shown to be effective for handling various types of data uncertainty in uncertain data management. However, few uncertain data clustering and classification algorithms are proposed based on possible world. Moreover, existing possible world based algorithms suffer from the following issues: (1) they deal with each possible world independently and ignore the consistency principle across different possible worlds; (2) they require the extra post-processing procedure to obtain the final result, which causes that the effectiveness highly relies on the post-processing method and the efficiency is also not very good. In this paper, we propose a novel possible world based consistency learning model for uncertain data, which can be extended both for clustering and classifying uncertain data. This model utilizes the consistency principle to learn a consensus affinity matrix for uncertain data, which can make full use of the information across different possible worlds and then improve the clustering and classification performance. Meanwhile, this model imposes a new rank constraint on the Laplacian matrix of the consensus affinity matrix, thereby ensuring that the number of connected components in the consensus affinity matrix is exactly equal to the number of classes. This also means that the clustering and classification results can be directly obtained without any post-processing procedure. Furthermore, for the clustering and classification tasks, we respectively derive the efficient optimization methods to solve the proposed model. Experimental results on real benchmark datasets and real world uncertain datasets show that the proposed model outperforms the state-of-the-art uncertain data clustering and classification algorithms in effectiveness and performs competitively in efficiency. Copyright © 2018 Elsevier Ltd. All rights reserved.

  19. Self-consistent modeling of laminar electrohydrodynamic plumes from ultra-sharp needles in cyclohexane

    Science.gov (United States)

    Becerra, Marley; Frid, Henrik; Vázquez, Pedro A.

    2017-12-01

    This paper presents a self-consistent model of electrohydrodynamic (EHD) laminar plumes produced by electron injection from ultra-sharp needle tips in cyclohexane. Since the density of electrons injected into the liquid is well described by the Fowler-Nordheim field emission theory, the injection law is not assumed. Furthermore, the generation of electrons in cyclohexane and their conversion into negative ions is included in the analysis. Detailed steady-state characteristics of EHD plumes under weak injection and space-charge limited injection are studied. It is found that the plume characteristics far from both electrodes and under weak injection can be accurately described with an asymptotic simplified solution proposed by Vazquez et al. ["Dynamics of electrohydrodynamic laminar plumes: Scaling analysis and integral model," Phys. Fluids 12, 2809 (2000)] when the correct longitudinal electric field distribution and liquid velocity radial profile are used as input. However, this asymptotic solution deviates from the self-consistently calculated plume parameters under space-charge limited injection since it neglects the radial variations of the electric field produced by a high-density charged core. In addition, no significant differences in the model estimates of the plume are found when the simulations are obtained either with the finite element method or with a diffusion-free particle method. It is shown that the model also enables the calculation of the current-voltage characteristic of EHD laminar plumes produced by electron field emission, with good agreement with measured values reported in the literature.

  20. Modeling Of Proton Exchange Membrane Fuel Cell Systems

    DEFF Research Database (Denmark)

    Nielsen, Mads Pagh

    The objective of this doctoral thesis was to develop reliable steady-state and transient component models suitable to asses-, develop- and optimize proton exchange membrane (PEM) fuel cell systems. Several components in PEM fuel cell systems were characterized and modeled. The developed component......- and system models match experimental data from the literature. However, limited data were available for verification so further work is necessary to confirm detailed aspects of the models. It is nonetheless expected that the developed models will be useful for system modeling and optimization of PEM fuel...... cell systems. Consequences of indirectly fueling PEM stacks with hydrocarbons using reforming technology were investigated using a PEM stack model including CO poisoning kinetics and a transient Simulink steam reforming system model. Aspects regarding the optimization of PEM fuel cell systems...

  1. Traffic Multiresolution Modeling and Consistency Analysis of Urban Expressway Based on Asynchronous Integration Strategy

    Directory of Open Access Journals (Sweden)

    Liyan Zhang

    2017-01-01

    Full Text Available The paper studies multiresolution traffic flow simulation model of urban expressway. Firstly, compared with two-level hybrid model, three-level multiresolution hybrid model has been chosen. Then, multiresolution simulation framework and integration strategies are introduced. Thirdly, the paper proposes an urban expressway multiresolution traffic simulation model by asynchronous integration strategy based on Set Theory, which includes three submodels: macromodel, mesomodel, and micromodel. After that, the applicable conditions and derivation process of the three submodels are discussed in detail. In addition, in order to simulate and evaluate the multiresolution model, “simple simulation scenario” of North-South Elevated Expressway in Shanghai has been established. The simulation results showed the following. (1 Volume-density relationships of three submodels are unanimous with detector data. (2 When traffic density is high, macromodel has a high precision and smaller error and the dispersion of results is smaller. Compared with macromodel, simulation accuracies of micromodel and mesomodel are lower but errors are bigger. (3 Multiresolution model can simulate characteristics of traffic flow, capture traffic wave, and keep the consistency of traffic state transition. Finally, the results showed that the novel multiresolution model can have higher simulation accuracy and it is feasible and effective in the real traffic simulation scenario.

  2. A formally verified algorithm for interactive consistency under a hybrid fault model

    Science.gov (United States)

    Lincoln, Patrick; Rushby, John

    1993-01-01

    Consistent distribution of single-source data to replicated computing channels is a fundamental problem in fault-tolerant system design. The 'Oral Messages' (OM) algorithm solves this problem of Interactive Consistency (Byzantine Agreement) assuming that all faults are worst-cass. Thambidurai and Park introduced a 'hybrid' fault model that distinguished three fault modes: asymmetric (Byzantine), symmetric, and benign; they also exhibited, along with an informal 'proof of correctness', a modified version of OM. Unfortunately, their algorithm is flawed. The discipline of mechanically checked formal verification eventually enabled us to develop a correct algorithm for Interactive Consistency under the hybrid fault model. This algorithm withstands $a$ asymmetric, $s$ symmetric, and $b$ benign faults simultaneously, using $m+1$ rounds, provided $n is greater than 2a + 2s + b + m$, and $m\\geg a$. We present this algorithm, discuss its subtle points, and describe its formal specification and verification in PVS. We argue that formal verification systems such as PVS are now sufficiently effective that their application to fault-tolerance algorithms should be considered routine.

  3. Finsler Geometry Modeling of Phase Separation in Multi-Component Membranes

    Directory of Open Access Journals (Sweden)

    Satoshi Usui

    2016-08-01

    Full Text Available A Finsler geometric surface model is studied as a coarse-grained model for membranes of three components, such as zwitterionic phospholipid (DOPC, lipid (DPPC and an organic molecule (cholesterol. To understand the phase separation of liquid-ordered (DPPC rich L o and liquid-disordered (DOPC rich L d , we introduce a binary variable σ ( = ± 1 into the triangulated surface model. We numerically determine that two circular and stripe domains appear on the surface. The dependence of the morphological change on the area fraction of L o is consistent with existing experimental results. This provides us with a clear understanding of the origin of the line tension energy, which has been used to understand these morphological changes in three-component membranes. In addition to these two circular and stripe domains, a raft-like domain and budding domain are also observed, and the several corresponding phase diagrams are obtained.

  4. Consistent phase-change modeling for CO2-based heat mining operation

    DEFF Research Database (Denmark)

    Singh, Ashok Kumar; Veje, Christian

    2017-01-01

    –gas phase transition with more accuracy and consistency. Calculation of fluid properties and saturation state were based on the volume translated Peng–Robinson equation of state and results verified. The present model has been applied to a scenario to simulate a CO2-based heat mining process. In this paper......The accuracy of mathematical modeling of phase-change phenomena is limited if a simple, less accurate equation of state completes the governing partial differential equation. However, fluid properties (such as density, dynamic viscosity and compressibility) and saturation state are calculated using...... a highly accurate, complex equation of state. This leads to unstable and inaccurate simulation as the equation of state and governing partial differential equations are mutually inconsistent. In this study, the volume-translated Peng–Robinson equation of state was used with emphasis to model the liquid...

  5. Elastoplastic properties of duplex steel determined using neutron diffraction and self-consistent model

    International Nuclear Information System (INIS)

    Baczmanski, A.; Braham, C.

    2004-01-01

    A new method for determining the parameters characterising elastoplastic deformation of two-phase material is proposed. The method is based on the results of neutron diffraction and mechanical experiments, which are analysed using the self-consistent rate-independent model of elastoplastic deformation. The neutron diffraction method has been applied to determine the lattice strains and diffraction peak broadening in two-phase austeno-ferritic steel during uniaxial tensile test. The elastoplastic model was used to predict evolution of internal stresses and critical resolved shear stresses. Calculations based on this model were successfully compared with experimental results and the parameters characterising elastoplastic deformation were determined for both phases of duplex steel

  6. Experimental Validation of a Permeability Model for Enrichment Membranes

    International Nuclear Information System (INIS)

    Orellano, Pablo; Brasnarof, Daniel; Florido Pablo

    2003-01-01

    An experimental loop with a real scale diffuser, in a single enrichment-stage configuration, was operated with air at different process conditions, in order to characterize the membrane permeability.Using these experimental data, an analytical geometric-and-morphologic-based model was validated.It is conclude that a new set of independent measurements, i.e. enrichment, is necessary in order to fully characterize diffusers, because of its internal parameters are not univocally determinated with permeability experimental data only

  7. A Model of Electrostimulation Based on the Membrane Capacitance as Electromechanical Transducer for Pore Gating.

    Science.gov (United States)

    Irnich, Werner; Kroll, Mark W

    2015-07-01

    Electrostimulation has gained enormous importance in modern medicine, for example, in implantable pacemakers and defibrillators, pain stimulators, and cochlear implants. Most electrostimulation macromodels use the electrical current as the primary parameter to describe the conventional strength-duration relationship of the output of a generator. These models normally assume that the stimulation pulse charges up the passive cell membrane capacitance, and then the increased (less-negative) transmembrane potential activates voltage-gated sodium channels. However, this model has mechanistic and accuracy limitations. Our model assumes that the membrane capacitance is an electromechanical transducer and that the membrane is compressed by the endogenous electric field. The pressure is quadratically correlated with the transmembrane voltage. If the pressure is reduced by an exogenous field, the compression is released and, thus, opening the pores for Na(+) influx initiates excitation. The exogenous electric field must always be equal to or greater than the rheobase field strength (rheobase condition). This concept yields a final result that the voltage-pulse-content produced by the exogenous field between the two ends of a cell is a linear function of the pulse duration at threshold level. Thus, the model yields mathematical formulations that can describe and explain the characteristic features of electrostimulation. Our model of electrostimulation can describe and explain electrostimulation at cellular level. The model's predictions are consistent with published experimental studies. Practical applications in cardiology are discussed in the light of this model of electrostimulation. ©2015 The Authors. Pacing and Clinical Electrophysiology Published by Wiley Periodicals, Inc.

  8. Commensurate comparisons of models with energy budget observations reveal consistent climate sensitivities

    Science.gov (United States)

    Armour, K.

    2017-12-01

    Global energy budget observations have been widely used to constrain the effective, or instantaneous climate sensitivity (ICS), producing median estimates around 2°C (Otto et al. 2013; Lewis & Curry 2015). A key question is whether the comprehensive climate models used to project future warming are consistent with these energy budget estimates of ICS. Yet, performing such comparisons has proven challenging. Within models, values of ICS robustly vary over time, as surface temperature patterns evolve with transient warming, and are generally smaller than the values of equilibrium climate sensitivity (ECS). Naively comparing values of ECS in CMIP5 models (median of about 3.4°C) to observation-based values of ICS has led to the suggestion that models are overly sensitive. This apparent discrepancy can partially be resolved by (i) comparing observation-based values of ICS to model values of ICS relevant for historical warming (Armour 2017; Proistosescu & Huybers 2017); (ii) taking into account the "efficacies" of non-CO2 radiative forcing agents (Marvel et al. 2015); and (iii) accounting for the sparseness of historical temperature observations and differences in sea-surface temperature and near-surface air temperature over the oceans (Richardson et al. 2016). Another potential source of discrepancy is a mismatch between observed and simulated surface temperature patterns over recent decades, due to either natural variability or model deficiencies in simulating historical warming patterns. The nature of the mismatch is such that simulated patterns can lead to more positive radiative feedbacks (higher ICS) relative to those engendered by observed patterns. The magnitude of this effect has not yet been addressed. Here we outline an approach to perform fully commensurate comparisons of climate models with global energy budget observations that take all of the above effects into account. We find that when apples-to-apples comparisons are made, values of ICS in models are

  9. Artificial plasma membrane models based on lipidomic profiling.

    Science.gov (United States)

    Essaid, Donia; Rosilio, Véronique; Daghildjian, Katia; Solgadi, Audrey; Vergnaud, Juliette; Kasselouri, Athena; Chaminade, Pierre

    2016-11-01

    Phospholipid monolayers are often described as membrane models for analyzing drug-lipid interactions. In many works, a single phosphatidylcholine is chosen, sometimes with one or two additional components. Drug penetration is studied at 30mN/m, a surface pressure considered as corresponding to the pressure in bilayers, independently of the density of lipid molecular packing. In this work, we have extracted, identified, and quantified the major lipids constituting the lipidome of plasma and mitochondrial membranes of retinoblastoma (Y79) and retinal pigment epithelium cells (ARPE-19), using liquid chromatography coupled to high-resolution mass spectrometry (LC-MS/MS). The results obtained from this lipidomic analysis were used in an attempt to build an artificial lipid monolayer with a composition mimicking that of the plasma membrane of Y79 cells, better than a single phospholipid. The variety and number of lipid classes and species in cell extracts monolayers exceeding by far those of the phospholipids chosen to mimic them, the π-A isotherms of model monolayers differed from those of lipid extracts in shape and apparent packing density. We propose a model monolayer based on the most abundant species identified in the extracts, with a surface compressional modulus at 30mN/m close to the one of the lipid extracts. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. Group Membership, Group Change, and Intergroup Attitudes: A Recategorization Model Based on Cognitive Consistency Principles

    Directory of Open Access Journals (Sweden)

    Jenny Roth

    2018-04-01

    Full Text Available The present article introduces a model based on cognitive consistency principles to predict how new identities become integrated into the self-concept, with consequences for intergroup attitudes. The model specifies four concepts (self-concept, stereotypes, identification, and group compatibility as associative connections. The model builds on two cognitive principles, balance–congruity and imbalance–dissonance, to predict identification with social groups that people currently belong to, belonged to in the past, or newly belong to. More precisely, the model suggests that the relative strength of self-group associations (i.e., identification depends in part on the (incompatibility of the different social groups. Combining insights into cognitive representation of knowledge, intergroup bias, and explicit/implicit attitude change, we further derive predictions for intergroup attitudes. We suggest that intergroup attitudes alter depending on the relative associative strength between the social groups and the self, which in turn is determined by the (incompatibility between social groups. This model unifies existing models on the integration of social identities into the self-concept by suggesting that basic cognitive mechanisms play an important role in facilitating or hindering identity integration and thus contribute to reducing or increasing intergroup bias.

  11. Are water simulation models consistent with steady-state and ultrafast vibrational spectroscopy experiments?

    International Nuclear Information System (INIS)

    Schmidt, J.R.; Roberts, S.T.; Loparo, J.J.; Tokmakoff, A.; Fayer, M.D.; Skinner, J.L.

    2007-01-01

    Vibrational spectroscopy can provide important information about structure and dynamics in liquids. In the case of liquid water, this is particularly true for isotopically dilute HOD/D 2 O and HOD/H 2 O systems. Infrared and Raman line shapes for these systems were measured some time ago. Very recently, ultrafast three-pulse vibrational echo experiments have been performed on these systems, which provide new, exciting, and important dynamical benchmarks for liquid water. There has been tremendous theoretical effort expended on the development of classical simulation models for liquid water. These models have been parameterized from experimental structural and thermodynamic measurements. The goal of this paper is to determine if representative simulation models are consistent with steady-state, and especially with these new ultrafast, experiments. Such a comparison provides information about the accuracy of the dynamics of these simulation models. We perform this comparison using theoretical methods developed in previous papers, and calculate the experimental observables directly, without making the Condon and cumulant approximations, and taking into account molecular rotation, vibrational relaxation, and finite excitation pulses. On the whole, the simulation models do remarkably well; perhaps the best overall agreement with experiment comes from the SPC/E model

  12. Group Membership, Group Change, and Intergroup Attitudes: A Recategorization Model Based on Cognitive Consistency Principles.

    Science.gov (United States)

    Roth, Jenny; Steffens, Melanie C; Vignoles, Vivian L

    2018-01-01

    The present article introduces a model based on cognitive consistency principles to predict how new identities become integrated into the self-concept, with consequences for intergroup attitudes. The model specifies four concepts (self-concept, stereotypes, identification, and group compatibility) as associative connections. The model builds on two cognitive principles, balance-congruity and imbalance-dissonance, to predict identification with social groups that people currently belong to, belonged to in the past, or newly belong to. More precisely, the model suggests that the relative strength of self-group associations (i.e., identification) depends in part on the (in)compatibility of the different social groups. Combining insights into cognitive representation of knowledge, intergroup bias, and explicit/implicit attitude change, we further derive predictions for intergroup attitudes. We suggest that intergroup attitudes alter depending on the relative associative strength between the social groups and the self, which in turn is determined by the (in)compatibility between social groups. This model unifies existing models on the integration of social identities into the self-concept by suggesting that basic cognitive mechanisms play an important role in facilitating or hindering identity integration and thus contribute to reducing or increasing intergroup bias.

  13. Self-consistent nonlinear transmission line model of standing wave effects in a capacitive discharge

    International Nuclear Information System (INIS)

    Chabert, P.; Raimbault, J.L.; Rax, J.M.; Lieberman, M.A.

    2004-01-01

    It has been shown previously [Lieberman et al., Plasma Sources Sci. Technol. 11, 283 (2002)], using a non-self-consistent model based on solutions of Maxwell's equations, that several electromagnetic effects may compromise capacitive discharge uniformity. Among these, the standing wave effect dominates at low and moderate electron densities when the driving frequency is significantly greater than the usual 13.56 MHz. In the present work, two different global discharge models have been coupled to a transmission line model and used to obtain the self-consistent characteristics of the standing wave effect. An analytical solution for the wavelength λ was derived for the lossless case and compared to the numerical results. For typical plasma etching conditions (pressure 10-100 mTorr), a good approximation of the wavelength is λ/λ 0 ≅40 V 0 1/10 l -1/2 f -2/5 , where λ 0 is the wavelength in vacuum, V 0 is the rf voltage magnitude in volts at the discharge center, l is the electrode spacing in meters, and f the driving frequency in hertz

  14. A Time consistent model for monetary value of man-sievert

    International Nuclear Information System (INIS)

    Na, S.H.; Kim, Sun G.

    2008-01-01

    Full text: Performing a cost-benefit analysis to establish optimum levels of radiation protection under the ALARA principle, we introduce a discrete stepwise model to evaluate man-sievert monetary value of Korea. The model formula, which is unique and country-specific, is composed of GDP, the nominal risk coefficient for cancer and hereditary effects, the aversion factor against radiation exposure, and the average life expectancy. Unlike previous researches on alpha-value assessment, we showed different alpha values optimized with respect to various ranges of individual dose, which would be more realistic and applicable to the radiation protection area. Employing economically constant term of GDP we showed the real values of man-sievert by year, which should be consistent in time series comparison even under price level fluctuation. GDP deflators of an economy have to be applied to measure one's own consistent value of radiation protection by year. In addition, we recommend that the concept of purchasing power parity should be adopted if it needs international comparison of alpha values in real terms. Finally, we explain the way that this stepwise model can be generalized simply to other countries without normalizing any country-specific factors. (author)

  15. Quest for consistent modelling of statistical decay of the compound nucleus

    Science.gov (United States)

    Banerjee, Tathagata; Nath, S.; Pal, Santanu

    2018-01-01

    A statistical model description of heavy ion induced fusion-fission reactions is presented where shell effects, collective enhancement of level density, tilting away effect of compound nuclear spin and dissipation are included. It is shown that the inclusion of all these effects provides a consistent picture of fission where fission hindrance is required to explain the experimental values of both pre-scission neutron multiplicities and evaporation residue cross-sections in contrast to some of the earlier works where a fission hindrance is required for pre-scission neutrons but a fission enhancement for evaporation residue cross-sections.

  16. A Consistent Methodology Based Parameter Estimation for a Lactic Acid Bacteria Fermentation Model

    DEFF Research Database (Denmark)

    Spann, Robert; Roca, Christophe; Kold, David

    2017-01-01

    Lactic acid bacteria are used in many industrial applications, e.g. as starter cultures in the dairy industry or as probiotics, and research on their cell production is highly required. A first principles kinetic model was developed to describe and understand the biological, physical, and chemical...... mechanisms in a lactic acid bacteria fermentation. We present here a consistent approach for a methodology based parameter estimation for a lactic acid fermentation. In the beginning, just an initial knowledge based guess of parameters was available and an initial parameter estimation of the complete set...

  17. A self-consistent model for thermodynamics of multicomponent solid solutions

    International Nuclear Information System (INIS)

    Svoboda, J.; Fischer, F.D.

    2016-01-01

    The self-consistent concept recently published in this journal (108, 27–30, 2015) is extended from a binary to a multicomponent system. This is possible by exploiting the trapping concept as basis for including the interaction of atoms in terms of pairs (e.g. A–A, B–B, C–C…) and couples (e.g. A–B, B–C, …) in a multicomponent system with A as solvent and B, C, … as dilute solutes. The model results in a formulation of Gibbs-energy, which can be minimized. Examples show that the couple and pair formation may influence the equilibrium Gibbs energy markedly.

  18. Modeling and optimization of membrane lifetime in dead-end ultra filtration

    NARCIS (Netherlands)

    Zondervan, Edwin; Roffel, Brian

    2008-01-01

    In this paper, a membrane lifetime model is developed and experimentally validated. The lifetime model is based on the Weibull probability density function. The lifetime model can be used to determine an unambiguous characteristic membrane lifetime. Experimental results showed that membrane lifetime

  19. Is biochemical relapse-free survival after profoundly hypofractionated radiotherapy consistent with current radiobiological models?

    Science.gov (United States)

    Tree, A C; Khoo, V S; van As, N J; Partridge, M

    2014-04-01

    The α/β ratio for prostate cancer is thought to be low and less than for the rectum, which is usually the dose-limiting organ. Hypofractionated radiotherapy should therefore improve the therapeutic ratio, increasing cure rates with less toxicity. A number of models for predicting biochemical relapse-free survival have been developed from large series of patients treated with conventional and moderately hypofractionated radiotherapy. The purpose of this study was to test these models when significant numbers of patients treated with profoundly hypofractionated radiotherapy were included. A systematic review of the literature with regard to hypofractionated radiotherapy for prostate cancer was conducted, focussing on data recently presented on prostate stereotactic body radiotherapy. For the work described here, we have taken published biochemical control rates for a range of moderately and profoundly fractionated schedules and plotted these together with a range of radiobiological models, which are described. The data reviewed show consistency between the various radiobiological model predictions and the currently observed data. Current radiobiological models provide accurate predictions of biochemical relapse-free survival, even when profoundly hypofractionated patients are included in the analysis. Copyright © 2014 The Royal College of Radiologists. Published by Elsevier Ltd. All rights reserved.

  20. Comparison of squashing and self-consistent input-output models of quantum feedback

    Science.gov (United States)

    Peřinová, V.; Lukš, A.; Křepelka, J.

    2018-03-01

    The paper (Yanagisawa and Hope, 2010) opens with two ways of analysis of a measurement-based quantum feedback. The scheme of the feedback includes, along with the homodyne detector, a modulator and a beamsplitter, which does not enable one to extract the nonclassical field. In the present scheme, the beamsplitter is replaced by the quantum noise evader, which makes it possible to extract the nonclassical field. We re-approach the comparison of two models related to the same scheme. The first one admits that in the feedback loop between the photon annihilation and creation operators, unusual commutation relations hold. As a consequence, in the feedback loop, squashing of the light occurs. In the second one, the description arrives at the feedback loop via unitary transformations. But it is obvious that the unitary transformation which describes the modulator changes even the annihilation operator of the mode which passes by the modulator which is not natural. The first model could be called "squashing model" and the second one could be named "self-consistent model". Although the predictions of the two models differ only a little and both the ways of analysis have their advantages, they have also their drawbacks and further investigation is possible.

  1. Dimer-based model for heptaspanning membrane receptors.

    Science.gov (United States)

    Franco, Rafael; Casadó, Vicent; Mallol, Josefa; Ferré, Sergi; Fuxe, Kjell; Cortés, Antonio; Ciruela, Francisco; Lluis, Carmen; Canela, Enric I

    2005-07-01

    The existence of intramembrane receptor-receptor interactions for heptaspanning membrane receptors is now fully accepted, but a model considering dimers as the basic unit that binds to two ligand molecules is lacking. Here, we propose a two-state-dimer model in which the ligand-induced conformational changes from one component of the dimer are communicated to the other. Our model predicts cooperativity in binding, which is relevant because the other current models fail to address this phenomenon satisfactorily. Our two-state-dimer model also predicts the variety of responses elicited by full or partial agonists, neutral antagonists and inverse agonists. This model can aid our understanding of the operation of heptaspanning receptors and receptor channels, and, potentially, be important for improving the treatment of cardiovascular, neurological and neuropsychyatric diseases.

  2. Non local thermodynamic equilibrium self-consistent average atom model for plasma physics

    International Nuclear Information System (INIS)

    Faussurier, G.; Blancard, Ch.; Berthier, E.

    2000-01-01

    A time-dependent collisional-radiative average-atom model is presented to study statistical properties of highly-charged ion plasmas in off-equilibrium conditions. Atomic structure is described either with a screened-hydrogenic model including l-splitting, or by calculating one electron states in a self-consistent average-atom potential. Collisional and radiative excitation/deexcitation and ionization/recombination rats, as well as auto-ionization and dielectronic recombination rates, are formulated within the average-configuration framework. A good agreement with experiment is found for the charge-state distribution of a gold plasma at electron and density temperature equal to 6 x 10 20 cm -3 and 2200 eV. (author)

  3. A self-consistent model for polycrystal deformation. Description and implementation

    Energy Technology Data Exchange (ETDEWEB)

    Clausen, B.; Lorentzen, T.

    1997-04-01

    This report is a manual for the ANSI C implementation of an incremental elastic-plastic rate-insensitive self-consistent polycrystal deformation model based on (Hutchinson 1970). The model is furthermore described in the Ph.D. thesis by Clausen (Clausen 1997). The structure of the main program, sc{sub m}odel.c, and its subroutines are described with flow-charts. Likewise the pre-processor, sc{sub i}ni.c, is described with a flowchart. Default values of all the input parameters are given in the pre-processor, but the user is able to select from other pre-defined values or enter new values. A sample calculation is made and the results are presented as plots and examples of the output files are shown. (au) 4 tabs., 28 ills., 17 refs.

  4. Study of stress localisation in polycrystalline grains using self-consistent modelling and neutron diffraction

    Science.gov (United States)

    Baczmański, A.; Gaj, A.; Le Joncour, L.; Wroński, S.; François, M.; Panicaud, B.; Braham, C.; Paradowska, A. M.

    2012-08-01

    The time-of-flight neutron diffraction technique and the elastoplastic self-consistent model were used to study the behaviour of single and multi-phase materials. Critical resolved shear stresses and hardening parameters in austenitic and austenitic-ferritic steels were found by analysing the evolution of the lattice strains measured during tensile tests. Special attention was paid to the changes of the grain stresses occurring due to transition from elastic to plastic deformation. Using a new method of data analysis, the variation of the stress localisation tensor as a function of macrostress was measured. The experimental results were successfully compared with model predictions for both phases of the duplex steel and also for the austenitic sample.

  5. Self-Consistent Generation of Primordial Continental Crust in Global Mantle Convection Models

    Science.gov (United States)

    Jain, C.; Rozel, A.; Tackley, P. J.

    2017-12-01

    We present the generation of primordial continental crust (TTG rocks) using self-consistent and evolutionary thermochemical mantle convection models (Tackley, PEPI 2008). Numerical modelling commonly shows that mantle convection and continents have strong feedbacks on each other. However in most studies, continents are inserted a priori while basaltic (oceanic) crust is generated self-consistently in some models (Lourenco et al., EPSL 2016). Formation of primordial continental crust happened by fractional melting and crystallisation in episodes of relatively rapid growth from late Archean to late Proterozoic eras (3-1 Ga) (Hawkesworth & Kemp, Nature 2006) and it has also been linked to the onset of plate tectonics around 3 Ga. It takes several stages of differentiation to generate Tonalite-Trondhjemite-Granodiorite (TTG) rocks or proto-continents. First, the basaltic magma is extracted from the pyrolitic mantle which is both erupted at the surface and intruded at the base of the crust. Second, it goes through eclogitic transformation and then partially melts to form TTGs (Rudnick, Nature 1995; Herzberg & Rudnick, Lithos 2012). TTGs account for the majority of the Archean continental crust. Based on the melting conditions proposed by Moyen (Lithos 2011), the feasibility of generating TTG rocks in numerical simulations has already been demonstrated by Rozel et al. (Nature, 2017). Here, we have developed the code further by parameterising TTG formation. We vary the ratio of intrusive (plutonic) and extrusive (volcanic) magmatism (Crisp, Volcanol. Geotherm. 1984) to study the relative volumes of three petrological TTG compositions as reported from field data (Moyen, Lithos 2011). Furthermore, we systematically vary parameters such as friction coefficient, initial core temperature and composition-dependent viscosity to investigate the global tectonic regime of early Earth. Continental crust can also be destroyed by subduction or delamination. We will investigate

  6. Interaction of antimicrobial biomimetics with bacterial and cytoplasmic membrane models

    Science.gov (United States)

    Gidalevitz, David

    2010-03-01

    Non-natural mimics of antimicrobial peptides are excellent candidates for anti-infectious agents due to their stability towards enzymatic degradation and broad adjustability of physicochemical properties. This study examines how structural rigidity affects interactions of the AMP analogs with model Langmuir monolayers of phospholipids at the air-liquid interface mimicking bacterial and mammalian lipid membrane surfaces. Flexible acyl-lysine olygomer was more efficient in disrupting Gram-negative rather than Gram-positive bacterial model membrane. Electron density profiles across the film, derived from XR data, demonstrate that following OAK and arylamide insertion into bacterial membrane mimics their hydrophobic cores were located within the lipid acyl chains, inducing opposite local curvatures. Moreover, flexible OAK molecules were found to penetrate the six acyl chains lipid A better than two chain DPPG, while conformationally restrained arylamide molecules, as well as previously characterized natural antimicrobial peptides LL-37, protegrin-1 and SMAP-29, insert into DPPG monolayer with almost identical or better efficiency.

  7. Validation of kinetic modeling of progesterone release from polymeric membranes

    Directory of Open Access Journals (Sweden)

    Analia Irma Romero

    2018-01-01

    Full Text Available Mathematical modeling in drug release systems is fundamental in development and optimization of these systems, since it allows to predict drug release rates and to elucidate the physical transport mechanisms involved. In this paper we validate a novel mathematical model that describes progesterone (Prg controlled release from poly-3-hydroxybutyric acid (PHB membranes. A statistical analysis was conducted to compare the fitting of our model with six different models and the Akaike information criterion (AIC was used to find the equation with best-fit. A simple relation between mass and drug released rate was found, which allows predicting the effect of Prg loads on the release behavior. Our proposed model was the one with minimum AIC value, and therefore it was the one that statistically fitted better the experimental data obtained for all the Prg loads tested. Furthermore, the initial release rate was calculated and therefore, the interface mass transfer coefficient estimated and the equilibrium distribution constant of Prg between the PHB and the release medium was also determined. The results lead us to conclude that our proposed model is the one which best fits the experimental data and can be successfully used to describe Prg drug release in PHB membranes.

  8. Computer-aided modeling framework – a generic modeling template for catalytic membrane fixed bed reactors

    DEFF Research Database (Denmark)

    Fedorova, Marina; Sin, Gürkan; Gani, Rafiqul

    2013-01-01

    This work focuses on development of computer-aided modeling framework. The framework is a knowledge-based system that is built on a generic modeling language and structured based on workflows for different general modeling tasks. The overall objective of this work is to support the model develope...... membrane fixed bed models is developed. The application of the modeling template is highlighted with a case study related to the modeling of a catalytic membrane reactor coupling dehydrogenation of ethylbenzene with hydrogenation of nitrobenzene....

  9. Smoothed Particle Hydrodynamics: A consistent model for interfacial multiphase fluid flow simulations

    Science.gov (United States)

    Krimi, Abdelkader; Rezoug, Mehdi; Khelladi, Sofiane; Nogueira, Xesús; Deligant, Michael; Ramírez, Luis

    2018-04-01

    In this work, a consistent Smoothed Particle Hydrodynamics (SPH) model to deal with interfacial multiphase fluid flows simulation is proposed. A modification to the Continuum Stress Surface formulation (CSS) [1] to enhance the stability near the fluid interface is developed in the framework of the SPH method. A non-conservative first-order consistency operator is used to compute the divergence of stress surface tensor. This formulation benefits of all the advantages of the one proposed by Adami et al. [2] and, in addition, it can be applied to more than two phases fluid flow simulations. Moreover, the generalized wall boundary conditions [3] are modified in order to be well adapted to multiphase fluid flows with different density and viscosity. In order to allow the application of this technique to wall-bounded multiphase flows, a modification of generalized wall boundary conditions is presented here for using the SPH method. In this work we also present a particle redistribution strategy as an extension of the damping technique presented in [3] to smooth the initial transient phase of gravitational multiphase fluid flow simulations. Several computational tests are investigated to show the accuracy, convergence and applicability of the proposed SPH interfacial multiphase model.

  10. Self-consistent modeling of plasma response to impurity spreading from intense localized source

    International Nuclear Information System (INIS)

    Koltunov, Mikhail

    2012-07-01

    Non-hydrogen impurities unavoidably exist in hot plasmas of present fusion devices. They enter it intrinsically, due to plasma interaction with the wall of vacuum vessel, as well as are seeded for various purposes deliberately. Normally, the spots where injected particles enter the plasma are much smaller than its total surface. Under such conditions one has to expect a significant modification of local plasma parameters through various physical mechanisms, which, in turn, affect the impurity spreading. Self-consistent modeling of interaction between impurity and plasma is, therefore, not possible with linear approaches. A model based on the fluid description of electrons, main and impurity ions, and taking into account the plasma quasi-neutrality, Coulomb collisions of background and impurity charged particles, radiation losses, particle transport to bounding surfaces, is elaborated in this work. To describe the impurity spreading and the plasma response self-consistently, fluid equations for the particle, momentum and energy balances of various plasma components are solved by reducing them to ordinary differential equations for the time evolution of several parameters characterizing the solution in principal details: the magnitudes of plasma density and plasma temperatures in the regions of impurity localization and the spatial scales of these regions. The results of calculations for plasma conditions typical in tokamak experiments with impurity injection are presented. A new mechanism for the condensation phenomenon and formation of cold dense plasma structures is proposed.

  11. Thermodynamically Consistent Algorithms for the Solution of Phase-Field Models

    KAUST Repository

    Vignal, Philippe

    2016-02-11

    Phase-field models are emerging as a promising strategy to simulate interfacial phenomena. Rather than tracking interfaces explicitly as done in sharp interface descriptions, these models use a diffuse order parameter to monitor interfaces implicitly. This implicit description, as well as solid physical and mathematical footings, allow phase-field models to overcome problems found by predecessors. Nonetheless, the method has significant drawbacks. The phase-field framework relies on the solution of high-order, nonlinear partial differential equations. Solving these equations entails a considerable computational cost, so finding efficient strategies to handle them is important. Also, standard discretization strategies can many times lead to incorrect solutions. This happens because, for numerical solutions to phase-field equations to be valid, physical conditions such as mass conservation and free energy monotonicity need to be guaranteed. In this work, we focus on the development of thermodynamically consistent algorithms for time integration of phase-field models. The first part of this thesis focuses on an energy-stable numerical strategy developed for the phase-field crystal equation. This model was put forward to model microstructure evolution. The algorithm developed conserves, guarantees energy stability and is second order accurate in time. The second part of the thesis presents two numerical schemes that generalize literature regarding energy-stable methods for conserved and non-conserved phase-field models. The time discretization strategies can conserve mass if needed, are energy-stable, and second order accurate in time. We also develop an adaptive time-stepping strategy, which can be applied to any second-order accurate scheme. This time-adaptive strategy relies on a backward approximation to give an accurate error estimator. The spatial discretization, in both parts, relies on a mixed finite element formulation and isogeometric analysis. The codes are

  12. Towards a consistent geochemical model for prediction of uranium(VI) removal from groundwater by ferrihydrite

    International Nuclear Information System (INIS)

    Gustafsson, Jon Petter; Daessman, Ellinor; Baeckstroem, Mattias

    2009-01-01

    Uranium(VI), which is often elevated in granitoidic groundwaters, is known to adsorb strongly to Fe (hydr)oxides under certain conditions. This process can be used in water treatment to remove U(VI). To develop a consistent geochemical model for U(VI) adsorption to ferrihydrite, batch experiments were performed and previous data sets reviewed to optimize a set of surface complexation constants using the 3-plane CD-MUSIC model. To consider the effect of dissolved organic matter (DOM) on U(VI) speciation, new parameters for the Stockholm Humic Model (SHM) were optimized using previously published data. The model, which was constrained from available X-ray absorption fine structure (EXAFS) spectroscopy evidence, fitted the data well when the surface sites were divided into low- and high-affinity binding sites. Application of the model concept to other published data sets revealed differences in the reactivity of different ferrihydrites towards U(VI). Use of the optimized SHM parameters for U(VI)-DOM complexation showed that this process is important for U(VI) speciation at low pH. However in neutral to alkaline waters with substantial carbonate present, Ca-U-CO 3 complexes predominate. The calibrated geochemical model was used to simulate U(VI) adsorption to ferrihydrite for a hypothetical groundwater in the presence of several competitive ions. The results showed that U(VI) adsorption was strong between pH 5 and 8. Also near the calcite saturation limit, where U(VI) adsorption was weakest according to the model, the adsorption percentage was predicted to be >80%. Hence U(VI) adsorption to ferrihydrite-containing sorbents may be used as a method to bring down U(VI) concentrations to acceptable levels in groundwater

  13. Multiset-based Tree Model for Membrane Computing

    Directory of Open Access Journals (Sweden)

    D. Singh

    2011-06-01

    Full Text Available In this paper, we introduce a new paradigm - multiset-based tree model. We show that trees can be represented in the form of wellfounded multisets. We also show that the conventional approach for this representation is not injective from a set of trees to the class of multisets representing such trees. We establish a one-to-one correspondence between trees and suitable permutations of a wellfounded multiset, which we call \\textit{tree structures}. We give formal definitions of a \\textit{tree structure} and a \\textit{subtree structure} of a tree structure. Finally, we represent membrane structures in the form of tree structures - a form in which membrane structures can suitably be represented at programming level.

  14. Symmetry breaking in frustrated XY models: Results from new self-consistent fluctuation approach and simulations

    Science.gov (United States)

    Behzadi, Azad Esmailov

    1999-10-01

    The critical behavior of the fully frustrated XY model has remained controversial in spite of almost two decades of related research. In this study, we have developed a new method inspired by Netz and Berker's hard-spin mean- field theory. Our approach for XY models yields results consistent with Monte Carlo simulations as the ratio of antiferromagnetic to ferromagnetic interactions is varied. The method captures two phase transitions clearly separated in temperature for ratios of 0.5, 0.6, and 1.5, with these transitions moving closer together in temperature as the interaction ratio approaches 1.0, the fully frustrated case. From the system's chirality as a function of temperature in the critical region, we calculate the critical exponent β in agreement with an Ising transition for all of the interaction ratios studied, including 1.0. This result provides support for the view that there are two transitions, rather than one transition in a new universality class, occurring in the fully frustrated XY model. Finite size effects in this model can be essentially eliminated by rescaling the local magnetization, the quantity retained self- consistently in our computations. This rescaling scheme also shows excellent results when tested on the two- dimensional Ising model, and the method, as generalized, provides a framework for an analytical approach to complex systems. Monte Carlo simulations of the fully frustrated XY model in a magnetic field provide further evidence of two transitions. The magnetic field breaks the rotational symmetry of the model, but the two-fold chiral degeneracy of the ground state persists in the field. This lower degeneracy with the field present makes Monte Carlo simulations converge more rapidly. The critical exponent δ determined from the sublattice magnetizations as a function of field agrees with the value expected for a Kosterlitz-Thouless transition. Further, the zero-field specific heat obtained by extrapolation from simulations in a

  15. Consistent modelling of wind turbine noise propagation from source to receiver.

    Science.gov (United States)

    Barlas, Emre; Zhu, Wei Jun; Shen, Wen Zhong; Dag, Kaya O; Moriarty, Patrick

    2017-11-01

    The unsteady nature of wind turbine noise is a major reason for annoyance. The variation of far-field sound pressure levels is not only caused by the continuous change in wind turbine noise source levels but also by the unsteady flow field and the ground characteristics between the turbine and receiver. To take these phenomena into account, a consistent numerical technique that models the sound propagation from the source to receiver is developed. Large eddy simulation with an actuator line technique is employed for the flow modelling and the corresponding flow fields are used to simulate sound generation and propagation. The local blade relative velocity, angle of attack, and turbulence characteristics are input to the sound generation model. Time-dependent blade locations and the velocity between the noise source and receiver are considered within a quasi-3D propagation model. Long-range noise propagation of a 5 MW wind turbine is investigated. Sound pressure level time series evaluated at the source time are studied for varying wind speeds, surface roughness, and ground impedances within a 2000 m radius from the turbine.

  16. Consistency and discrepancy in the atmospheric response to Arctic sea-ice loss across climate models

    Science.gov (United States)

    Screen, James A.; Deser, Clara; Smith, Doug M.; Zhang, Xiangdong; Blackport, Russell; Kushner, Paul J.; Oudar, Thomas; McCusker, Kelly E.; Sun, Lantao

    2018-02-01

    The decline of Arctic sea ice is an integral part of anthropogenic climate change. Sea-ice loss is already having a significant impact on Arctic communities and ecosystems. Its role as a cause of climate changes outside of the Arctic has also attracted much scientific interest. Evidence is mounting that Arctic sea-ice loss can affect weather and climate throughout the Northern Hemisphere. The remote impacts of Arctic sea-ice loss can only be properly represented using models that simulate interactions among the ocean, sea ice, land and atmosphere. A synthesis of six such experiments with different models shows consistent hemispheric-wide atmospheric warming, strongest in the mid-to-high-latitude lower troposphere; an intensification of the wintertime Aleutian Low and, in most cases, the Siberian High; a weakening of the Icelandic Low; and a reduction in strength and southward shift of the mid-latitude westerly winds in winter. The atmospheric circulation response seems to be sensitive to the magnitude and geographic pattern of sea-ice loss and, in some cases, to the background climate state. However, it is unclear whether current-generation climate models respond too weakly to sea-ice change. We advocate for coordinated experiments that use different models and observational constraints to quantify the climate response to Arctic sea-ice loss.

  17. Model for ICRF fast wave current drive in self-consistent MHD equilibria

    International Nuclear Information System (INIS)

    Bonoli, P.T.; Englade, R.C.; Porkolab, M.; Fenstermacher, M.E.

    1993-01-01

    Recently, a model for fast wave current drive in the ion cyclotron radio frequency (ICRF) range was incorporated into the current drive and MHD equilibrium code ACCOME. The ACCOME model combines a free boundary solution of the Grad Shafranov equation with the calculation of driven currents due to neutral beam injection, lower hybrid (LH) waves, bootstrap effects, and ICRF fast waves. The equilibrium and current drive packages iterate between each other to obtain an MHD equilibrium which is consistent with the profiles of driven current density. The ICRF current drive package combines a toroidal full-wave code (FISIC) with a parameterization of the current drive efficiency obtained from an adjoint solution of the Fokker Planck equation. The electron absorption calculation in the full-wave code properly accounts for the combined effects of electron Landau damping (ELD) and transit time magnetic pumping (TTMP), assuming a Maxwellian (or bi-Maxwellian) electron distribution function. Furthermore, the current drive efficiency includes the effects of particle trapping, momentum conserving corrections to the background Fokker Planck collision operator, and toroidally induced variations in the parallel wavenumbers of the injected ICRF waves. This model has been used to carry out detailed studies of advanced physics scenarios in the proposed Tokamak Physics Experiment (TPX). Results are shown, for example, which demonstrate the possibility of achieving stable equilibria at high beta and high bootstrap current fraction in TPX. Model results are also shown for the proposed ITER device

  18. A Time-Dependent Λ and G Cosmological Model Consistent with Cosmological Constraints

    Directory of Open Access Journals (Sweden)

    L. Kantha

    2016-01-01

    Full Text Available The prevailing constant Λ-G cosmological model agrees with observational evidence including the observed red shift, Big Bang Nucleosynthesis (BBN, and the current rate of acceleration. It assumes that matter contributes 27% to the current density of the universe, with the rest (73% coming from dark energy represented by the Einstein cosmological parameter Λ in the governing Friedmann-Robertson-Walker equations, derived from Einstein’s equations of general relativity. However, the principal problem is the extremely small value of the cosmological parameter (~10−52 m2. Moreover, the dark energy density represented by Λ is presumed to have remained unchanged as the universe expanded by 26 orders of magnitude. Attempts to overcome this deficiency often invoke a variable Λ-G model. Cosmic constraints from action principles require that either both G and Λ remain time-invariant or both vary in time. Here, we propose a variable Λ-G cosmological model consistent with the latest red shift data, the current acceleration rate, and BBN, provided the split between matter and dark energy is 18% and 82%. Λ decreases (Λ~τ-2, where τ is the normalized cosmic time and G increases (G~τn with cosmic time. The model results depend only on the chosen value of Λ at present and in the far future and not directly on G.

  19. Development of a 3D consistent 1D neutronics model for reactor core simulation

    International Nuclear Information System (INIS)

    Lee, Ki Bog; Joo, Han Gyu; Cho, Byung Oh; Zee, Sung Quun

    2001-02-01

    In this report a 3D consistent 1D model based on nonlinear analytic nodal method is developed to reproduce the 3D results. During the derivation, the current conservation factor (CCF) is introduced which guarantees the same axial neutron currents obtained from the 1D equation as the 3D reference values. Furthermore in order to properly use 1D group constants, a new 1D group constants representation scheme employing tables for the fuel temperature, moderator density and boron concentration is developed and functionalized for the control rod tip position. To test the 1D kinetics model with CCF, several steady state and transient calculations were performed and compared with 3D reference values. The errors of K-eff values were reduced about one tenth when using CCF without significant computational overhead. And the errors of power distribution were decreased to the range of one fifth or tenth at steady state calculation. The 1D kinetics model with CCF and the 1D group constant functionalization employing tables as a function of control rod tip position can provide preciser results at the steady state and transient calculation. Thus it is expected that the 1D kinetics model derived in this report can be used in the safety analysis, reactor real time simulation coupled with system analysis code, operator support system etc.

  20. An analysis of comprehensive health promotion programs' consistency with the systems model of health.

    Science.gov (United States)

    Meek, J

    1993-01-01

    Purpose. The purpose of this article is to report a review and analysis of the concordance between current comprehensive corporate health promotion programs as described in the published literature and the systems model of health and to explore emerging trends in the field of health promotion. Search Methods. MEDLINE, BIOSIS, and PsycINFO searches were conducted from 1985 to 1991, and the bibliographies of articles thus obtained were back searched for additional descriptions of corporate health promotion programs. Inclusive criteria included "comprehensive" corporate programs, published in peer-reviewed journals or books, and descriptions adequate enough to permit coding in the majority of analysis matrix categories. Out of 63 identified programs, 16 met the inclusion criteria; 47 were excluded. A common reason for rejection was the limitation imposed by inadequate program descriptions in the published literature. Major Findings. On average, the comprehensive corporate programs reviewed were initiated between 1984 and 1987 and set in the context of a manufacturing firm with over 10,000 employees. A minority of programs (12.5%) consistently satisfied systems model criteria. The most common category of programs were those which were inconsistent (44%), meeting some of the criteria of a systems model of health promotion, but not all. The mechanistic medical and public health models predominated strongly (63%) with the preeminent goal being individual risk factor modification. Conclusions. The limitations of the published literature do not permit strong conclusions about the number or degree to which current corporate comprehensive programs are concordant with the systems model of health. Although mechanistic models of health predominated, there is evidence that a number of comprehensive programs were inconsistent with the mechanistic model, meeting some of the criteria, but also meeting some systems model criteria. To continue the advancement of health promotion with

  1. A paradigm shift toward a consistent modeling framework to assess climate impacts

    Science.gov (United States)

    Monier, E.; Paltsev, S.; Sokolov, A. P.; Fant, C.; Chen, H.; Gao, X.; Schlosser, C. A.; Scott, J. R.; Dutkiewicz, S.; Ejaz, Q.; Couzo, E. A.; Prinn, R. G.; Haigh, M.

    2017-12-01

    Estimates of physical and economic impacts of future climate change are subject to substantial challenges. To enrich the currently popular approaches of assessing climate impacts by evaluating a damage function or by multi-model comparisons based on the Representative Concentration Pathways (RCPs), we focus here on integrating impacts into a self-consistent coupled human and Earth system modeling framework that includes modules that represent multiple physical impacts. In a sample application we show that this framework is capable of investigating the physical impacts of climate change and socio-economic stressors. The projected climate impacts vary dramatically across the globe in a set of scenarios with global mean warming ranging between 2.4°C and 3.6°C above pre-industrial by 2100. Unabated emissions lead to substantial sea level rise, acidification that impacts the base of the oceanic food chain, air pollution that exceeds health standards by tenfold, water stress that impacts an additional 1 to 2 billion people globally and agricultural productivity that decreases substantially in many parts of the world. We compare the outcomes from these forward-looking scenarios against the common goal described by the target-driven scenario of 2°C, which results in much smaller impacts. It is challenging for large internationally coordinated exercises to respond quickly to new policy targets. We propose that a paradigm shift toward a self-consistent modeling framework to assess climate impacts is needed to produce information relevant to evolving global climate policy and mitigation strategies in a timely way.

  2. Meso-scale Modeling of Block Copolymers Self-Assembly in Casting Solutions for Membrane Manufacture

    KAUST Repository

    Moreno Chaparro, Nicolas

    2016-05-01

    Isoporous membranes manufactured from diblock copolymer are successfully produced at laboratory scale under controlled conditions. Because of the complex phenomena involved, membrane preparation requires trial and error methodologies to find the optimal conditions, leading to a considerable demand of resources. Experimental insights demonstrate that the self-assembly of the block copolymers in solution has an effect on the final membrane structure. Nevertheless, the complete understanding of these multi-scale phenomena is elusive. Herein we use the coarse-grained method Dissipative Particle Dynamics to study the self-assembly of block copolymers that are used for the preparation of the membranes. To simulate representative time and length scales, we introduce a framework for model reduction of polymer chain representations for dissipative particle dynamics, which preserves the properties governing the phase equilibria. We reduce the number of degrees of freedom by accounting for the correlation between beads in fine-grained models via power laws and the consistent scaling of the simulation parameters. The coarse-graining models are consistent with the experimental evidence, showing a morphological transition of the aggregates as the polymer concentration and solvent affinity change. We show that hexagonal packing of the micelles can occur in solution within different windows of polymer concentration depending on the solvent affinity. However, the shape and size dispersion of the micelles determine the characteristic arrangement. We describe the order of crew-cut micelles using a rigid-sphere approximation and propose different phase parameters that characterize the emergence of monodisperse-spherical micelles in solution. Additionally, we investigate the effect of blending asymmetric diblock copolymers (AB/AC) over the properties of the membranes. We observe that the co-assembly mechanism localizes the AC molecules at the interface of A and B domains, and induces

  3. Self-consistent field modeling of adsorption from polymer/surfactant mixtures.

    Science.gov (United States)

    Postmus, Bart R; Leermakers, Frans A M; Cohen Stuart, Martien A

    2008-06-01

    We report on the development of a self-consistent field model that describes the competitive adsorption of nonionic alkyl-(ethylene oxide) surfactants and nonionic polymer poly(ethylene oxide) (PEO) from aqueous solutions onto silica. The model explicitly describes the response to the pH and the ionic strength. On an inorganic oxide surface such as silica, the dissociation of the surface depends on the pH. However, salt ions can screen charges on the surface, and hence, the number of dissociated groups also depends on the ionic strength. Furthermore, the solvent quality for the EO groups is a function of the ionic strength. Using our model, we can compute bulk parameters such as the average size of the polymer coil and the surfactant CMC. We can make predictions on the adsorption behavior of either polymers or surfactants, and we have made adsorption isotherms, i.e., calculated the relationship between the surface excess and its corresponding bulk concentration. When we add both polymer and surfactant to our mixture, we can find a surfactant concentration (or, more precisely, a surfactant chemical potential) below which only the polymer will adsorb and above which only the surfactant will adsorb. The corresponding surfactant concentration is called the CSAC. In a first-order approximation, the surfactant chemical potential has the CMC as its upper bound. We can find conditions for which CMC model is to understand the experimental data from one of our previous articles. We managed to explain most, but unfortunately not all, of the experimental trends. At the end of the article we discuss the possibilities for improving the model.

  4. Methodology and consistency of slant and vertical assessments for ionospheric electron content models

    Science.gov (United States)

    Hernández-Pajares, Manuel; Roma-Dollase, David; Krankowski, Andrzej; García-Rigo, Alberto; Orús-Pérez, Raül

    2017-12-01

    A summary of the main concepts on global ionospheric map(s) [hereinafter GIM(s)] of vertical total electron content (VTEC), with special emphasis on their assessment, is presented in this paper. It is based on the experience accumulated during almost two decades of collaborative work in the context of the international global navigation satellite systems (GNSS) service (IGS) ionosphere working group. A representative comparison of the two main assessments of ionospheric electron content models (VTEC-altimeter and difference of Slant TEC, based on independent global positioning system data GPS, dSTEC-GPS) is performed. It is based on 26 GPS receivers worldwide distributed and mostly placed on islands, from the last quarter of 2010 to the end of 2016. The consistency between dSTEC-GPS and VTEC-altimeter assessments for one of the most accurate IGS GIMs (the tomographic-kriging GIM `UQRG' computed by UPC) is shown. Typical error RMS values of 2 TECU for VTEC-altimeter and 0.5 TECU for dSTEC-GPS assessments are found. And, as expected by following a simple random model, there is a significant correlation between both RMS and specially relative errors, mainly evident when large enough number of observations per pass is considered. The authors expect that this manuscript will be useful for new analysis contributor centres and in general for the scientific and technical community interested in simple and truly external ways of validating electron content models of the ionosphere.

  5. Self-Consistent Atmosphere Models of the Most Extreme Hot Jupiters

    Science.gov (United States)

    Lothringer, Joshua; Barman, Travis

    2018-01-01

    We present a detailed look at self-consistent PHOENIX atmosphere models of the most highly irradiated hot Jupiters known to exist. These hot Jupiters typically have equilibrium temperatures approaching and sometimes exceeding 3000 K, orbiting A, F, and early-G type stars on orbits less than 0.03 AU (10x closer than Mercury is to the Sun). The most extreme example, KELT-9b, is the hottest known hot Jupiter with a measured dayside temperature of 4600 K. Many of the planets we model have recently attracted attention with high profile discoveries, including temperature inversions in WASP-33b and WASP-121, changing phase curve offsets possibly caused by magnetohydrodymanic effects in HAT-P-7b, and TiO in WASP-19b. Our modeling provides a look at the a priori expectations for these planets and helps us understand these recent discoveries. We show that, in the hottest cases, all molecules are dissociated down to relatively high pressures. These planets may have detectable temperature inversions, more akin to thermospheres than stratospheres in that an optical absorber like TiO or VO is not needed. Instead, the inversions are created by a lack of cooling in the IR combined with heating from atoms and ions at UV and blue optical wavelengths. We also reevaluate some of the assumptions that have been made in retrieval analyses of these planets.

  6. Height-Diameter Models for Mixed-Species Forests Consisting of Spruce, Fir, and Beech

    Directory of Open Access Journals (Sweden)

    Petráš Rudolf

    2014-06-01

    Full Text Available Height-diameter models define the general relationship between the tree height and diameter at each growth stage of the forest stand. This paper presents generalized height-diameter models for mixed-species forest stands consisting of Norway spruce (Picea abies Karst., Silver fir (Abies alba L., and European beech (Fagus sylvatica L. from Slovakia. The models were derived using two growth functions from the exponential family: the two-parameter Michailoff and three-parameter Korf functions. Generalized height-diameter functions must normally be constrained to pass through the mean stand diameter and height, and then the final growth model has only one or two parameters to be estimated. These “free” parameters are then expressed over the quadratic mean diameter, height and stand age and the final mathematical form of the model is obtained. The study material included 50 long-term experimental plots located in the Western Carpathians. The plots were established 40-50 years ago and have been repeatedly measured at 5 to 10-year intervals. The dataset includes 7,950 height measurements of spruce, 21,661 of fir and 5,794 of beech. As many as 9 regression models were derived for each species. Although the “goodness of fit” of all models showed that they were generally well suited for the data, the best results were obtained for silver fir. The coefficient of determination ranged from 0.946 to 0.948, RMSE (m was in the interval 1.94-1.97 and the bias (m was -0.031 to 0.063. Although slightly imprecise parameter estimation was established for spruce, the estimations of the regression parameters obtained for beech were quite less precise. The coefficient of determination for beech was 0.854-0.860, RMSE (m 2.67-2.72, and the bias (m ranged from -0.144 to -0.056. The majority of models using Korf’s formula produced slightly better estimations than Michailoff’s, and it proved immaterial which estimated parameter was fixed and which parameters

  7. The self-consistent field model for Fermi systems with account of three-body interactions

    Directory of Open Access Journals (Sweden)

    Yu.M. Poluektov

    2015-12-01

    Full Text Available On the basis of a microscopic model of self-consistent field, the thermodynamics of the many-particle Fermi system at finite temperatures with account of three-body interactions is built and the quasiparticle equations of motion are obtained. It is shown that the delta-like three-body interaction gives no contribution into the self-consistent field, and the description of three-body forces requires their nonlocality to be taken into account. The spatially uniform system is considered in detail, and on the basis of the developed microscopic approach general formulas are derived for the fermion's effective mass and the system's equation of state with account of contribution from three-body forces. The effective mass and pressure are numerically calculated for the potential of "semi-transparent sphere" type at zero temperature. Expansions of the effective mass and pressure in powers of density are obtained. It is shown that, with account of only pair forces, the interaction of repulsive character reduces the quasiparticle effective mass relative to the mass of a free particle, and the attractive interaction raises the effective mass. The question of thermodynamic stability of the Fermi system is considered and the three-body repulsive interaction is shown to extend the region of stability of the system with the interparticle pair attraction. The quasiparticle energy spectrum is calculated with account of three-body forces.

  8. Computational fluid dynamics modeling of proton exchange membrane fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    UM,SUKKEE; WANG,C.Y.; CHEN,KEN S.

    2000-02-11

    A transient, multi-dimensional model has been developed to simulate proton exchange membrane (PEM) fuel cells. The model accounts simultaneously for electrochemical kinetics, current distribution, hydrodynamics and multi-component transport. A single set of conservation equations valid for flow channels, gas-diffusion electrodes, catalyst layers and the membrane region are developed and numerically solved using a finite-volume-based computational fluid dynamics (CFD) technique. The numerical model is validated against published experimental data with good agreement. Subsequently, the model is applied to explore hydrogen dilution effects in the anode feed. The predicted polarization cubes under hydrogen dilution conditions are found to be in qualitative agreement with recent experiments reported in the literature. The detailed two-dimensional electrochemical and flow/transport simulations further reveal that in the presence of hydrogen dilution in the fuel stream, hydrogen is depleted at the reaction surface resulting in substantial kinetic polarization and hence a lower current density that is limited by hydrogen transport from the fuel stream to the reaction site.

  9. Self-consistent model of the Rayleigh--Taylor instability in ablatively accelerated laser plasma

    International Nuclear Information System (INIS)

    Bychkov, V.V.; Golberg, S.M.; Liberman, M.A.

    1994-01-01

    A self-consistent approach to the problem of the growth rate of the Rayleigh--Taylor instability in laser accelerated targets is developed. The analytical solution of the problem is obtained by solving the complete system of the hydrodynamical equations which include both thermal conductivity and energy release due to absorption of the laser light. The developed theory provides a rigorous justification for the supplementary boundary condition in the limiting case of the discontinuity model. An analysis of the suppression of the Rayleigh--Taylor instability by the ablation flow is done and it is found that there is a good agreement between the obtained solution and the approximate formula σ = 0.9√gk - 3u 1 k, where g is the acceleration, u 1 is the ablation velocity. This paper discusses different regimes of the ablative stabilization and compares them with previous analytical and numerical works

  10. Thermal states of neutron stars with a consistent model of interior

    Science.gov (United States)

    Fortin, M.; Taranto, G.; Burgio, G. F.; Haensel, P.; Schulze, H.-J.; Zdunik, J. L.

    2018-04-01

    We model the thermal states of both isolated neutron stars and accreting neutron stars in X-ray transients in quiescence and confront them with observations. We use an equation of state calculated using realistic two-body and three-body nucleon interactions, and superfluid nucleon gaps obtained using the same microscopic approach in the BCS approximation. Consistency with low-luminosity accreting neutron stars is obtained, as the direct Urca process is operating in neutron stars with mass larger than 1.1 M⊙ for the employed equation of state. In addition, proton superfluidity and sufficiently weak neutron superfluidity, obtained using a scaling factor for the gaps, are necessary to explain the cooling of middle-aged neutron stars and to obtain a realistic distribution of neutron star masses.

  11. Consistently modeling the same movement strategy is more important than model skill level in observational learning contexts.

    Science.gov (United States)

    Buchanan, John J; Dean, Noah

    2014-02-01

    The experiment undertaken was designed to elucidate the impact of model skill level on observational learning processes. The task was bimanual circle tracing with a 90° relative phase lead of one hand over the other hand. Observer groups watched videos of either an instruction model, a discovery model, or a skilled model. The instruction and skilled model always performed the task with the same movement strategy, the right-arm traced clockwise and the left-arm counterclockwise around circle templates with the right-arm leading. The discovery model used several movement strategies (tracing-direction/hand-lead) during practice. Observation of the instruction and skilled model provided a significant benefit compared to the discovery model when performing the 90° relative phase pattern in a post-observation test. The observers of the discovery model had significant room for improvement and benefited from post-observation practice of the 90° pattern. The benefit of a model is found in the consistency with which that model uses the same movement strategy, and not within the skill level of the model. It is the consistency in strategy modeled that allows observers to develop an abstract perceptual representation of the task that can be implemented into a coordinated action. Theoretically, the results show that movement strategy information (relative motion direction, hand lead) and relative phase information can be detected through visual perception processes and be successfully mapped to outgoing motor commands within an observational learning context. Copyright © 2013 Elsevier B.V. All rights reserved.

  12. Charged polymeric micelles as ion scavengers: experiments and self-consistent-field modelling

    NARCIS (Netherlands)

    Lauw, Y.

    2006-01-01

    This thesis contains a study of micellization and micellar calcium binding efficiency of carboxy-modified Pluronic P85 triblock copolymers. These novel block copolymers are used as new antiscaling agents in a water treatment with a membrane separation process. Pluronic block copolymers are wellknown

  13. The Consistent Kinetics Porosity (CKP) Model: A Theory for the Mechanical Behavior of Moderately Porous Solids

    Energy Technology Data Exchange (ETDEWEB)

    BRANNON,REBECCA M.

    2000-11-01

    A theory is developed for the response of moderately porous solids (no more than {approximately}20% void space) to high-strain-rate deformations. The model is consistent because each feature is incorporated in a manner that is mathematically compatible with the other features. Unlike simple p-{alpha} models, the onset of pore collapse depends on the amount of shear present. The user-specifiable yield function depends on pressure, effective shear stress, and porosity. The elastic part of the strain rate is linearly related to the stress rate, with nonlinear corrections from changes in the elastic moduli due to pore collapse. Plastically incompressible flow of the matrix material allows pore collapse and an associated macroscopic plastic volume change. The plastic strain rate due to pore collapse/growth is taken normal to the yield surface. If phase transformation and/or pore nucleation are simultaneously occurring, the inelastic strain rate will be non-normal to the yield surface. To permit hardening, the yield stress of matrix material is treated as an internal state variable. Changes in porosity and matrix yield stress naturally cause the yield surface to evolve. The stress, porosity, and all other state variables vary in a consistent manner so that the stress remains on the yield surface throughout any quasistatic interval of plastic deformation. Dynamic loading allows the stress to exceed the yield surface via an overstress ordinary differential equation that is solved in closed form for better numerical accuracy. The part of the stress rate that causes no plastic work (i.e-, the part that has a zero inner product with the stress deviator and the identity tensor) is given by the projection of the elastic stressrate orthogonal to the span of the stress deviator and the identity tensor.The model, which has been numerically implemented in MIG format, has been exercised under a wide array of extremal loading and unloading paths. As will be discussed in a companion

  14. Study of Separation and Fouling of Reverse Osmosis Membranes during Model Hydrolysate Solution Filtration

    Directory of Open Access Journals (Sweden)

    Olumoye Ajao

    2017-12-01

    Full Text Available Prehydrolysate, a dilute solution consisting mainly of pentoses, hexoses, and lesser quantities of organic acids, furfural and phenolics, is generated in the Kraft dissolving pulp process. An obstacle facing the valorization of the solution in hemicellulose biorefineries, by conversion of the sugars into bioproducts such as furfural, is the low sugar concentration. Membrane filtration is typically proposed in several hemicellulose based biorefineries for concentrating the solution, although they are usually generated using different wood species, pretreatment methods, and operating conditions. However, the chemical composition of the solutions is generally not considered. Also, the combined effect of composition and operating conditions is rarely investigated for biorefinery applications. The purpose of this work was to determine the impact of the prehydrolysate composition and operating parameters on the component separation and permeate flux during membrane filtration. Using model prehydrolysate solutions, two commercial reverse osmosis (RO membranes were screened, and one was selected for use, based on its higher sugar and acetic acid retention. A Taguchi L18 experimental design array was then applied to determine the dominant parameters and limiting factors. Results showed that the feed pressure and temperature have the highest impact on permeate flux, but the least effect on sugar retention. Further experiments to quantify flux decline, due to fouling and osmotic pressure, showed that furfural has the highest membrane fouling tendency, and can limit the lifetime of the membrane. Regeneration of the membrane by cleaning with a sodium hydroxide solution is also effective for reversing fouling. It has been demonstrated that RO can efficiently and sustainably concentrate wood prehydrolysate.

  15. A mathematical and empirical model of the performance of a membrane-coupled anaerobic fermentor.

    Science.gov (United States)

    Kim, Jong-Oh; Chung, Jinwook

    2011-09-01

    A mathematical model was developed to describe the performance of a membrane-coupled anaerobic fermentor (MCAF)-based process. In our experimental results, higher volatile fatty acid (VFA) recovery ratios were obtained at greater filtration ratios. The VFA recovery ratio peaked at an HRT of 12 h and a membrane filtration ratio of 0.95 at a constant SRT. Based on our simulation, the HRT and filtration ratio should be maintained at less than 1 day and above 0.9, respectively, to exceed an organic materials recovery ratio of 35% at a constant SRT of 10 days. Our empirical model, which predicts the effluent VFA concentration (C(o)), described the performance of the MCAF adequately. The model demonstrated that the outlet VFA concentration was a function of three independent parameters -HLR, input organic concentration (C(i)) and membrane filtration ratio (Φ). Multiple regression analyses were conducted using 50 measurements of the MCAF, yielding the following relationship: C(o) = 0.278Φ(1.13) C(i) (1.93) HLR(0.11). The correlation coefficient (R(2)) was 0.90. The simulation results were consistent with the observed data; therefore, due to its simplicity, this model predicts the effluent VFA concentration of an MCAF adequately.

  16. Exponential Decay of Covariances for the Supercritical Membrane Model

    Science.gov (United States)

    Bolthausen, Erwin; Cipriani, Alessandra; Kurt, Noemi

    2017-08-01

    We consider the membrane model, that is the centered Gaussian field on {\\mathbb{Z}^d} whose covariance matrix is given by the inverse of the discrete Bilaplacian. We impose a {δ}-pinning condition, giving a reward of strength {\\varepsilon} for the field to be 0 at any site of the lattice. In this paper we prove that in dimensions {d≥ 5} covariances of the pinned field decay at least exponentially, as opposed to the field without pinning, where the decay is polynomial. The proof is based on estimates for certain discrete weighted norms, a percolation argument and on a Bernoulli domination result.

  17. A fast-simplified wheel-rail contact model consistent with perfect plastic materials

    Science.gov (United States)

    Sebès, Michel; Chevalier, Luc; Ayasse, Jean-Bernard; Chollet, Hugues

    2012-09-01

    A method is described which is an extension of rolling contact models with respect to plasticity. This new method, which is an extension of the STRIPES semi-Hertzian (SH) model, has been implemented in a multi-body-system (MBS) package and does not result in a longer execution time than the STRIPES SH model [J.B. Ayasse and H. Chollet, Determination of the wheel-rail contact patch in semi-Hertzian conditions, Veh. Syst. Dyn. 43(3) (2005), pp. 161-172]. High speed of computation is obtained by some hypotheses about the plastic law, the shape of stresses, the locus of the maximum stress and the slip. Plasticity does not change the vehicle behaviour but there is a need for an extension of rolling contact models with respect to plasticity as far as fatigue analysis of rail is concerned: rolling contact fatigue may be addressed via the finite element method (FEM) including material non-linearities, where loads are the contact stresses provided by the post-processing of MBS results [K. Dang Van, M.H. Maitournam, Z. Moumni, and F. Roger, A comprehensive approach for modeling fatigue and fracture of rails, Eng. Fract. Mech. 76 (2009), pp. 2626-2636]. In STRIPES, like in other MBS models, contact stresses may exceed the plastic yield criterion, leading to wrong results in the subsequent FEM analysis. With the proposed method, contact stresses are kept consistent with a perfect plastic law, avoiding these problems. The method is benchmarked versus non-linear FEM in Hertzian geometries. As a consequence of taking plasticity into account, contact patch area is bigger than the elastic one. In accordance with FEM results, a different ellipse aspect ratio than the one predicted by Hertz theory was also found and finally pressure does not exceed the threshold prescribed by the plastic law. The method also provides more exact results with non-Hertzian geometries. The new approach is finally compared with non-linear FEM in a tangent case with a unidirectional load and a complete

  18. Study of impurity effects on CFETR steady-state scenario by self-consistent integrated modeling

    Science.gov (United States)

    Shi, Nan; Chan, Vincent S.; Jian, Xiang; Li, Guoqiang; Chen, Jiale; Gao, Xiang; Shi, Shengyu; Kong, Defeng; Liu, Xiaoju; Mao, Shifeng; Xu, Guoliang

    2017-12-01

    Impurity effects on fusion performance of China fusion engineering test reactor (CFETR) due to extrinsic seeding are investigated. An integrated 1.5D modeling workflow evolves plasma equilibrium and all transport channels to steady state. The one modeling framework for integrated tasks framework is used to couple the transport solver, MHD equilibrium solver, and source and sink calculations. A self-consistent impurity profile constructed using a steady-state background plasma, which satisfies quasi-neutrality and true steady state, is presented for the first time. Studies are performed based on an optimized fully non-inductive scenario with varying concentrations of Argon (Ar) seeding. It is found that fusion performance improves before dropping off with increasing {{Z}\\text{eff}} , while the confinement remains at high level. Further analysis of transport for these plasmas shows that low-k ion temperature gradient modes dominate the turbulence. The decrease in linear growth rate and resultant fluxes of all channels with increasing {{Z}\\text{eff}} can be traced to impurity profile change by transport. The improvement in confinement levels off at higher {{Z}\\text{eff}} . Over the regime of study there is a competition between the suppressed transport and increasing radiation that leads to a peak in the fusion performance at {{Z}\\text{eff}} (~2.78 for CFETR). Extrinsic impurity seeding to control divertor heat load will need to be optimized around this value for best fusion performance.

  19. Deconvolution of experimental data of aggregates using self-consistent polycrystal models

    International Nuclear Information System (INIS)

    Tome, C.N.; Christodoulou, N.; Holt, R.; Woo, C.H.; Lebensohn, R.A.; Turner, P.A.

    1994-01-01

    We present in this work an overview of self-consistent polycrystal models, together with a comprehensive body of work where those models are used to characterize the response of zirconium alloy aggregates under several deformation regimes. In particular, we address here: evolution of internal stresses associated with heat treatments (thermo-elastic regime) and small deformations (elasto-plastic regime); dimensional changes induced by creep and growth during neutron irradiation (visco-elastic regime); texture development associated with forming operations (visco-plastic regime). In each case we emphasize the effect of texture and internal stresses in the observed response of the aggregate, and from the comparison of the predictions with experimental evidence we determine the single crystal properties from the macroscopic response of the polycrystal. The latter approach is particularly useful in the case of zirconium alloys, a material for which it is not possible to grow single crystals and thus directly measure their single crystal properties. Specifically, we infer information concerning: the stress-free lattice parameters and thermal coefficients of the hexagonal crystals; the irradiation creep compliances and growth coefficients; the crystallographic deformation modes and their associated critical stresses. (au) (38 refs.)

  20. Analytical model describes ion conduction in fuel cell membranes

    Science.gov (United States)

    Herbst, Daniel; Tse, Steve; Witten, Thomas

    2014-03-01

    Many fuel cell designs employ polyelectrolyte membranes, but little is known about how to tune the parameters (water level, morphology, etc.) to maximize ion conductivity. We came up with a simple model based on a random, discrete water distribution and ion confinement due to neighboring polymer. The results quantitatively agree with molecular dynamics (MD) simulations and explain experimental observations. We find that when the ratio of water volume to polymer volume, Vw /Vp , is small, the predicted ion self-diffusion coefficient scales roughly as Dw T√{Vw /Vp } exp(- ⋯Vp /Vw) , where Dw T is the limiting value in pure water at temperature T . At high water levels the model also agrees with MD simulation, plateauing to Dw T . The model predicts a maximum conductivity at a water level higher than is typically used, and that it would be beneficial to increase water retention even at the expense of lower ion concentration. Also, membranes would conduct better if they phase-separated into water-rich and polymer-rich regions. US ARMY MURI #W911NF-10-1-0520.

  1. A membrane topology model for human interferon inducible transmembrane protein 1.

    Directory of Open Access Journals (Sweden)

    Stuart Weston

    Full Text Available InterFeron Inducible TransMembrane proteins 1-3 (IFITM1, IFITM2 and IFITM3 are a family of proteins capable of inhibiting the cellular entry of numerous human and animal viruses. IFITM1-3 are unique amongst the currently described viral restriction factors in their apparent ability to block viral entry. This restrictive property is dependant on the localisation of the proteins to plasma and endosomal membranes, which constitute the main portals of viral entry into cells. The topology of the IFITM proteins within cell membranes is an unresolved aspect of their biology. Here we present data from immunofluorescence microscopy, protease cleavage, biotin-labelling and immuno-electron microscopy assays, showing that human IFITM1 has a membrane topology in which the N-terminal domain resides in the cytoplasm, and the C-terminal domain is extracellular. Furthermore, we provide evidence that this topology is conserved for all of the human interferon-induced IFITM proteins. This model is consistent with that recently proposed for murine IFITM3, but differs from that proposed for murine IFITM1.

  2. Hazard-consistent ground motions generated with a stochastic fault-rupture model

    Energy Technology Data Exchange (ETDEWEB)

    Nishida, Akemi, E-mail: nishida.akemi@jaea.go.jp [Center for Computational Science and e-Systems, Japan Atomic Energy Agency, 178-4-4, Wakashiba, Kashiwa, Chiba 277-0871 (Japan); Igarashi, Sayaka, E-mail: igrsyk00@pub.taisei.co.jp [Technology Center, Taisei Corporation, 344-1 Nase-cho, Totsuka-ku, Yokohama 245-0051 (Japan); Sakamoto, Shigehiro, E-mail: shigehiro.sakamoto@sakura.taisei.co.jp [Technology Center, Taisei Corporation, 344-1 Nase-cho, Totsuka-ku, Yokohama 245-0051 (Japan); Uchiyama, Yasuo, E-mail: yasuo.uchiyama@sakura.taisei.co.jp [Technology Center, Taisei Corporation, 344-1 Nase-cho, Totsuka-ku, Yokohama 245-0051 (Japan); Yamamoto, Yu, E-mail: ymmyu-00@pub.taisei.co.jp [Technology Center, Taisei Corporation, 344-1 Nase-cho, Totsuka-ku, Yokohama 245-0051 (Japan); Muramatsu, Ken, E-mail: kmuramat@tcu.ac.jp [Department of Nuclear Safety Engineering, Tokyo City University, 1-28-1 Tamazutsumi, Setagaya-ku, Tokyo 158-8557 (Japan); Takada, Tsuyoshi, E-mail: takada@load.arch.t.u-tokyo.ac.jp [Department of Architecture, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan)

    2015-12-15

    Conventional seismic probabilistic risk assessments (PRAs) of nuclear power plants consist of probabilistic seismic hazard and fragility curves. Even when earthquake ground-motion time histories are required, they are generated to fit specified response spectra, such as uniform hazard spectra at a specified exceedance probability. These ground motions, however, are not directly linked with seismic-source characteristics. In this context, the authors propose a method based on Monte Carlo simulations to generate a set of input ground-motion time histories to develop an advanced PRA scheme that can explain exceedance probability and the sequence of safety-functional loss in a nuclear power plant. These generated ground motions are consistent with seismic hazard at a reference site, and their seismic-source characteristics can be identified in detail. Ground-motion generation is conducted for a reference site, Oarai in Japan, the location of a hypothetical nuclear power plant. A total of 200 ground motions are generated, ranging from 700 to 1100 cm/s{sup 2} peak acceleration, which corresponds to a 10{sup −4} to 10{sup −5} annual exceedance frequency. In the ground-motion generation, seismic sources are selected according to their hazard contribution at the site, and Monte Carlo simulations with stochastic parameters for the seismic-source characteristics are then conducted until ground motions with the target peak acceleration are obtained. These ground motions are selected so that they are consistent with the hazard. Approximately 110,000 simulations were required to generate 200 ground motions with these peak accelerations. Deviations of peak ground motion acceleration generated for 1000–1100 cm/s{sup 2} range from 1.5 to 3.0, where the deviation is evaluated with peak ground motion accelerations generated from the same seismic source. Deviations of 1.0 to 3.0 for stress drops, one of the stochastic parameters of seismic-source characteristics, are required to

  3. Magnetic characterization of superparamagnetic nanoparticles pulled through model membranes.

    Science.gov (United States)

    Barnes, Allison L; Wassel, Ronald A; Mondalek, Fadee; Chen, Kejian; Dormer, Kenneth J; Kopke, Richard D

    2007-01-04

    To quantitatively compare in-vitro and in vivo membrane transport studies of targeted delivery, one needs characterization of the magnetically-induced mobility of superparamagnetic iron oxide nanoparticles (SPION). Flux densities, gradients, and nanoparticle properties were measured in order to quantify the magnetic force on the SPION in both an artificial cochlear round window membrane (RWM) model and the guinea pig RWM. Three-dimensional maps were created for flux density and magnetic gradient produced by a 24-well casing of 4.1 kilo-Gauss neodymium-iron-boron (NdFeB) disc magnets. The casing was used to pull SPION through a three-layer cell culture RWM model. Similar maps were created for a 4 inch (10.16 cm) cube 48 MGOe NdFeB magnet used to pull polymeric-nanoparticles through the RWM of anesthetized guinea pigs. Other parameters needed to compute magnetic force were nanoparticle and polymer properties, including average radius, density, magnetic susceptibility, and volume fraction of magnetite. A minimum force of 5.04 x 10(-16) N was determined to adequately pull nanoparticles through the in-vitro model. For the guinea pig RWM, the magnetic force on the polymeric nanoparticles was 9.69 x 10-20 N. Electron microscopy confirmed the movement of the particles through both RWM models. As prospective carriers of therapeutic substances, polymers containing superparamagnetic iron oxide nanoparticles were succesfully pulled through the live RWM. The force required to achieve in vivo transport was significantly lower than that required to pull nanoparticles through the in-vitro RWM model. Indeed very little force was required to accomplish measurable delivery of polymeric-SPION composite nanoparticles across the RWM, suggesting that therapeutic delivery to the inner ear by SPION is feasible.

  4. Aroma Stripping under various Forms of Membrane Distillation Processes: Experiments and modeling

    DEFF Research Database (Denmark)

    Jonsson, Gunnar Eigil

    such as volatility, activity coefficient and vapor pressure, it is important to know how these aroma compounds will eventually pass through the membrane. Experiments have been made on an aroma model solution and on black currant juice in a lab scale membrane distillation set up which can be operated in various types...... of MD configurations: Vacuum Membrane Distillation , Sweeping Gas Membrane Distillation , Direct Contact Membrane Distillation and Osmotic Membrane Distillation. The influence of feed temperature and feed flow rate on the permeate flux and concentration factor for different types of aroma compounds have...

  5. Toward self-consistent tectono-magmatic numerical model of rift-to-ridge transition

    Science.gov (United States)

    Gerya, Taras; Bercovici, David; Liao, Jie

    2017-04-01

    Natural data from modern and ancient lithospheric extension systems suggest three-dimensional (3D) character of deformation and complex relationship between magmatism and tectonics during the entire rift-to-ridge transition. Therefore, self-consistent high-resolution 3D magmatic-thermomechanical numerical approaches stand as a minimum complexity requirement for modeling and understanding of this transition. Here we present results from our new high-resolution 3D finite-difference marker-in-cell rift-to-ridge models, which account for magmatic accretion of the crust and use non-linear strain-weakened visco-plastic rheology of rocks that couples brittle/plastic failure and ductile damage caused by grain size reduction. Numerical experiments suggest that nucleation of rifting and ridge-transform patterns are decoupled in both space and time. At intermediate stages, two patterns can coexist and interact, which triggers development of detachment faults, failed rift arms, hyper-extended margins and oblique proto-transforms. En echelon rift patterns typically develop in the brittle upper-middle crust whereas proto-ridge and proto-transform structures nucleate in the lithospheric mantle. These deep proto-structures propagate upward, inter-connect and rotate toward a mature orthogonal ridge-transform patterns on the timescale of millions years during incipient thermal-magmatic accretion of the new oceanic-like lithosphere. Ductile damage of the extending lithospheric mantle caused by grain size reduction assisted by Zenner pinning plays critical role in rift-to-ridge transition by stabilizing detachment faults and transform structures. Numerical results compare well with observations from incipient spreading regions and passive continental margins.

  6. The Devil in the Dark: A Fully Self-Consistent Seismic Model for Venus

    Science.gov (United States)

    Unterborn, C. T.; Schmerr, N. C.; Irving, J. C. E.

    2017-12-01

    The bulk composition and structure of Venus is unknown despite accounting for 40% of the mass of all the terrestrial planets in our Solar System. As we expand the scope of planetary science to include those planets around other stars, the lack of measurements of basic planetary properties such as moment of inertia, core-size and thermal profile for Venus hinders our ability to compare the potential uniqueness of the Earth and our Solar System to other planetary systems. Here we present fully self-consistent, whole-planet density and seismic velocity profiles calculated using the ExoPlex and BurnMan software packages for various potential Venusian compositions. Using these models, we explore the seismological implications of the different thermal and compositional initial conditions, taking into account phase transitions due to changes in pressure, temperature as well as composition. Using mass-radius constraints, we examine both the centre frequencies of normal mode oscillations and the waveforms and travel times of body waves. Seismic phases which interact with the core, phase transitions in the mantle, and shallower parts of Venus are considered. We also consider the detectability and transmission of these seismic waves from within the dense atmosphere of Venus. Our work provides coupled compositional-seismological reference models for the terrestrial planet in our Solar System of which we know the least. Furthermore, these results point to the potential wealth of fundamental scientific insights into Venus and Earth, as well as exoplanets, which could be gained by including a seismometer on future planetary exploration missions to Venus, the devil in the dark.

  7. Self-consistent model of a solid for the description of lattice and magnetic properties

    International Nuclear Information System (INIS)

    Balcerzak, T.; Szałowski, K.; Jaščur, M.

    2017-01-01

    In the paper a self-consistent theoretical description of the lattice and magnetic properties of a model system with magnetoelastic interaction is presented. The dependence of magnetic exchange integrals on the distance between interacting spins is assumed, which couples the magnetic and the lattice subsystem. The framework is based on summation of the Gibbs free energies for the lattice subsystem and magnetic subsystem. On the basis of minimization principle for the Gibbs energy, a set of equations of state for the system is derived. These equations of state combine the parameters describing the elastic properties (relative volume deformation) and the magnetic properties (magnetization changes). The formalism is extensively illustrated with the numerical calculations performed for a system of ferromagnetically coupled spins S=1/2 localized at the sites of simple cubic lattice. In particular, the significant influence of the magnetic subsystem on the elastic properties is demonstrated. It manifests itself in significant modification of such quantities as the relative volume deformation, thermal expansion coefficient or isothermal compressibility, in particular, in the vicinity of the magnetic phase transition. On the other hand, the influence of lattice subsystem on the magnetic one is also evident. It takes, for example, the form of dependence of the critical (Curie) temperature and magnetization itself on the external pressure, which is thoroughly investigated.

  8. Self-consistent evolution models for slow CMEs up to 1 AU

    Science.gov (United States)

    Poedts, S.; Pomoell, J.; Zuccarello, F. P.

    2016-02-01

    Our 2.5D (axi-symmetric) self-consistent numerical magneto-hydrodynamics (MHD) models for the onset of CMEs under solar minimum conditions and for their interaction with coronal streamers and subsequent evolution up to 1 AU, are presented and discussed. The CMEs are initiated by magnetic flux emergence/cancellation and/or by shearing the magnetic foot points of a magnetic arcade which is positioned above or below the equatorial plane and embedded in a larger helmet streamer. The overlying magnetic streamer field then deflects the CMEs towards the equator, and the deflection path is dependent on the driving velocity. The core of the CME, created during the onset process, contains a magnetic flux rope and the synthetic white light images often show the typical three-part CME structure. The resulting CMEs propagate only slightly faster than the background solar wind, but this small excess speed is high enough to create a fast MHD shock wave from a distance of 0.25 AU onwards. At 1 AU, the plasma shows the typical characteristics of a magnetic cloud, and the simulated data are in good agreement with the (ACE) observations.

  9. A consistent model for the equilibrium thermodynamic functions of partially ionized flibe plasma with Coulomb corrections

    International Nuclear Information System (INIS)

    Zaghloul, Mofreh R.

    2003-01-01

    Flibe (2LiF-BeF2) is a molten salt that has been chosen as the coolant and breeding material in many design studies of the inertial confinement fusion (ICF) chamber. Flibe plasmas are to be generated in the ICF chamber in a wide range of temperatures and densities. These plasmas are more complex than the plasma of any single chemical species. Nevertheless, the composition and thermodynamic properties of the resulting flibe plasmas are needed for the gas dynamics calculations and the determination of other design parameters in the ICF chamber. In this paper, a simple consistent model for determining the detailed plasma composition and thermodynamic functions of high-temperature, fully dissociated and partially ionized flibe gas is presented and used to calculate different thermodynamic properties of interest to fusion applications. The computed properties include the average ionization state; kinetic pressure; internal energy; specific heats; adiabatic exponent, as well as the sound speed. The presented results are computed under the assumptions of local thermodynamic equilibrium (LTE) and electro-neutrality. A criterion for the validity of the LTE assumption is presented and applied to the computed results. Other attempts in the literature are assessed with their implied inaccuracies pointed out and discussed

  10. Magy: Time dependent, multifrequency, self-consistent code for modeling electron beam devices

    International Nuclear Information System (INIS)

    Botton, M.; Antonsen, T.M.; Levush, B.

    1997-01-01

    A new MAGY code is being developed for three dimensional modeling of electron beam devices. The code includes a time dependent multifrequency description of the electromagnetic fields and a self consistent analysis of the electrons. The equations of motion are solved with the electromagnetic fields as driving forces and the resulting trajectories are used as current sources for the fields. The calculations of the electromagnetic fields are based on the waveguide modal representation, which allows the solution of relatively small number of coupled one dimensional partial differential equations for the amplitudes of the modes, instead of the full solution of Maxwell close-quote s equations. Moreover, the basic time scale for updating the electromagnetic fields is the cavity fill time and not the high frequency of the fields. In MAGY, the coupling among the various modes is determined by the waveguide non-uniformity, finite conductivity of the walls, and the sources due to the electron beam. The equations of motion of the electrons are solved assuming that all the electrons traverse the cavity in less than the cavity fill time. Therefore, at each time step, a set of trajectories are calculated with the high frequency and other external fields as the driving forces. The code includes a verity of diagnostics for both electromagnetic fields and particles trajectories. It is simple to operate and requires modest computing resources, thus expected to serve as a design tool. copyright 1997 American Institute of Physics

  11. A fully kinetic, self-consistent particle simulation model of the collisionless plasma--sheath region

    International Nuclear Information System (INIS)

    Procassini, R.J.; Birdsall, C.K.; Morse, E.C.

    1990-01-01

    A fully kinetic particle-in-cell (PIC) model is used to self-consistently determine the steady-state potential profile in a collisionless plasma that contacts a floating, absorbing boundary. To balance the flow of particles to the wall, a distributed source region is used to inject particles into the one-dimensional system. The effect of the particle source distribution function on the source region and collector sheath potential drops, and particle velocity distributions is investigated. The ion source functions proposed by Emmert et al. [Phys. Fluids 23, 803 (1980)] and Bissell and Johnson [Phys. Fluids 30, 779 (1987)] (and various combinations of these) are used for the injection of both ions and electrons. The values of the potential drops obtained from the PIC simulations are compared to those from the theories of Emmert et al., Bissell and Johnson, and Scheuer and Emmert [Phys. Fluids 31, 3645 (1988)], all of which assume that the electron density is related to the plasma potential via the Boltzmann relation. The values of the source region and total potential drop are found to depend on the choice of the electron source function, as well as the ion source function. The question of an infinite electric field at the plasma--sheath interface, which arises in the analyses of Bissell and Johnson and Scheuer and Emmert, is also addressed

  12. Self-consistent model of a solid for the description of lattice and magnetic properties

    Energy Technology Data Exchange (ETDEWEB)

    Balcerzak, T., E-mail: t_balcerzak@uni.lodz.pl [Department of Solid State Physics, Faculty of Physics and Applied Informatics, University of Łódź, ulica Pomorska 149/153, 90-236 Łódź (Poland); Szałowski, K., E-mail: kszalowski@uni.lodz.pl [Department of Solid State Physics, Faculty of Physics and Applied Informatics, University of Łódź, ulica Pomorska 149/153, 90-236 Łódź (Poland); Jaščur, M. [Department of Theoretical Physics and Astrophysics, Faculty of Science, P. J. Šáfárik University, Park Angelinum 9, 041 54 Košice (Slovakia)

    2017-03-15

    In the paper a self-consistent theoretical description of the lattice and magnetic properties of a model system with magnetoelastic interaction is presented. The dependence of magnetic exchange integrals on the distance between interacting spins is assumed, which couples the magnetic and the lattice subsystem. The framework is based on summation of the Gibbs free energies for the lattice subsystem and magnetic subsystem. On the basis of minimization principle for the Gibbs energy, a set of equations of state for the system is derived. These equations of state combine the parameters describing the elastic properties (relative volume deformation) and the magnetic properties (magnetization changes). The formalism is extensively illustrated with the numerical calculations performed for a system of ferromagnetically coupled spins S=1/2 localized at the sites of simple cubic lattice. In particular, the significant influence of the magnetic subsystem on the elastic properties is demonstrated. It manifests itself in significant modification of such quantities as the relative volume deformation, thermal expansion coefficient or isothermal compressibility, in particular, in the vicinity of the magnetic phase transition. On the other hand, the influence of lattice subsystem on the magnetic one is also evident. It takes, for example, the form of dependence of the critical (Curie) temperature and magnetization itself on the external pressure, which is thoroughly investigated.

  13. Multiscale Modeling at Nanointerfaces: Polymer Thin Film Materials Discovery via Thermomechanically Consistent Coarse Graining

    Science.gov (United States)

    Hsu, David D.

    Due to high nanointerfacial area to volume ratio, the properties of "nanoconfined" polymer thin films, blends, and composites become highly altered compared to their bulk homopolymer analogues. Understanding the structure-property mechanisms underlying this effect is an active area of research. However, despite extensive work, a fundamental framework for predicting the local and system-averaged thermomechanical properties as a function of configuration and polymer species has yet to be established. Towards bridging this gap, here, we present a novel, systematic coarse-graining (CG) method which is able to capture quantitatively, the thermomechanical properties of real polymer systems in bulk and in nanoconfined geometries. This method, which we call thermomechanically consistent coarse-graining (TCCG), is a two-bead-per-monomer CG hybrid approach through which bonded interactions are optimized to match the atomistic structure via the Iterative Boltzmann Inversion method (IBI), and nonbonded interactions are tuned to macroscopic targets through parametric studies. We validate the TCCG method by systematically developing coarse-grain models for a group of five specialized methacrylate-based polymers including poly(methyl methacrylate) (PMMA). Good correlation with bulk all-atom (AA) simulations and experiments is found for the temperature-dependent glass transition temperature (Tg) Flory-Fox scaling relationships, self-diffusion coefficients of liquid monomers, and modulus of elasticity. We apply this TCCG method also to bulk polystyrene (PS) using a comparable coarse-grain CG bead mapping strategy. The model demonstrates chain stiffness commensurate with experiments, and we utilize a density-correction term to improve the transferability of the elastic modulus over a 500 K range. Additionally, PS and PMMA models capture the unexplained, characteristically dissimilar scaling of Tg with the thickness of free-standing films as seen in experiments. Using vibrational

  14. Limitations of membrane cultures as a model solid-state fermentation system

    NARCIS (Netherlands)

    Rahardjo, Y.S.P.; Korona, D.; Haemers, S.; Weber, F.J.; Tramper, J.; Rinzema, A.

    2004-01-01

    Aims: To examine the reliability of membrane cultures as a model solid-state fermentation (SSF) system. Methods and Results: In overcultures of Aspergillus oryzae on sterilized wheat flour discs overlaid with a polycarbonate membrane, we demonstrated that the presence of membrane filters reduced the

  15. Pervaporation : membranes and models for the dehydration of ethanol

    NARCIS (Netherlands)

    Spitzen, Johannes Wilhelmus Franciscus

    1988-01-01

    In this thesis the dehydration of ethanol/water mixtures by pervaporation using homogeneous membranes is studied. Both the general transport mechanism as well as the development of highly selective membranes for ethanol/water separation are investigated.

  16. Zeolite Membranes : Ozone Detemplation, Modeling, and Performance Characterization

    NARCIS (Netherlands)

    Kuhn, J.

    2009-01-01

    Membrane technology plays an increasingly important role in developing a more sustainable process industry. Zeolites are a novel class of membrane materials with unique properties enabling molecular sieving and affinity based separations. This thesis proposes some new concepts in zeolite membrane

  17. Achieving Consistent Multiple Daily Low-Dose Bacillus anthracis Spore Inhalation Exposures in the Rabbit Model

    Science.gov (United States)

    2012-06-13

    generating , sizing, quan- tifying, and sampling aerosols of inert materials also hold true for bioaerosols , i.e., for aerosolizing materials of...characterization, traditional bioaerosol generation and collection techniques can be employed to achieve consistent and reproducible low-dose expo- sures... generate and aerosolize consistent daily low aerosol concentrations and resultant low inhalation doses to rabbits. The pilot feasibility characterization

  18. Consistent Two-Equation Closure Modelling for Atmospheric Research: Buoyancy and Vegetation Implementations

    DEFF Research Database (Denmark)

    Sogachev, Andrey; Kelly, Mark C.; Leclerc, Monique Y.

    2012-01-01

    A self-consistent two-equation closure treating buoyancy and plant drag effects has been developed, through consideration of the behaviour of the supplementary equation for the length-scale-determining variable in homogeneous turbulent flow. Being consistent with the canonical flow regimes of gri...

  19. Membrane Trafficking in the Yeast Saccharomyces cerevisiae Model

    Directory of Open Access Journals (Sweden)

    Serge Feyder

    2015-01-01

    Full Text Available The yeast Saccharomyces cerevisiae is one of the best characterized eukaryotic models. The secretory pathway was the first trafficking pathway clearly understood mainly thanks to the work done in the laboratory of Randy Schekman in the 1980s. They have isolated yeast sec mutants unable to secrete an extracellular enzyme and these SEC genes were identified as encoding key effectors of the secretory machinery. For this work, the 2013 Nobel Prize in Physiology and Medicine has been awarded to Randy Schekman; the prize is shared with James Rothman and Thomas Südhof. Here, we present the different trafficking pathways of yeast S. cerevisiae. At the Golgi apparatus newly synthesized proteins are sorted between those transported to the plasma membrane (PM, or the external medium, via the exocytosis or secretory pathway (SEC, and those targeted to the vacuole either through endosomes (vacuolar protein sorting or VPS pathway or directly (alkaline phosphatase or ALP pathway. Plasma membrane proteins can be internalized by endocytosis (END and transported to endosomes where they are sorted between those targeted for vacuolar degradation and those redirected to the Golgi (recycling or RCY pathway. Studies in yeast S. cerevisiae allowed the identification of most of the known effectors, protein complexes, and trafficking pathways in eukaryotic cells, and most of them are conserved among eukaryotes.

  20. Defective membrane remodeling in neuromuscular diseases: insights from animal models.

    Directory of Open Access Journals (Sweden)

    Belinda S Cowling

    Full Text Available Proteins involved in membrane remodeling play an essential role in a plethora of cell functions including endocytosis and intracellular transport. Defects in several of them lead to human diseases. Myotubularins, amphiphysins, and dynamins are all proteins implicated in membrane trafficking and/or remodeling. Mutations in myotubularin, amphiphysin 2 (BIN1, and dynamin 2 lead to different forms of centronuclear myopathy, while mutations in myotubularin-related proteins cause Charcot-Marie-Tooth neuropathies. In addition to centronuclear myopathy, dynamin 2 is also mutated in a dominant form of Charcot-Marie-Tooth neuropathy. While several proteins from these different families are implicated in similar diseases, mutations in close homologues or in the same protein in the case of dynamin 2 lead to diseases affecting different tissues. This suggests (1 a common molecular pathway underlying these different neuromuscular diseases, and (2 tissue-specific regulation of these proteins. This review discusses the pathophysiology of the related neuromuscular diseases on the basis of animal models developed for proteins of the myotubularin, amphiphysin, and dynamin families. A better understanding of the common mechanisms between these neuromuscular disorders will lead to more specific health care and therapeutic approaches.

  1. Microencapsulation of model oil in wall matrices consisting of SPI and maltodextrins

    Directory of Open Access Journals (Sweden)

    Moshe Rosenberg

    2016-01-01

    Full Text Available Microencapsulation can provide means to entrap, protect and deliver nutritional lipids and related compounds that are susceptible to deterioration. The encapsulation of high lipid loads represents a challenge. The research has investigated the encapsulation by spray drying of a model oil, at a core load of 25–60%, in wall systems consisting of 2.5–10% SPI and 17.5–10% maltodextrin. In general, core-in-wall-emulsions exhibited unimodal PSD and a mean particle diameter < 0.5 µm. Dry microcapsules ranged in diameter from about 5 to less than 50 µm and exhibited only a limited extent of surface indentation. Core domains, in the form of protein-coated droplets, were embedded throughout the wall matrices and no visible cracks connecting these domains with the environment could be detected. Core retention ranged from 72.2 to 95.9% and was significantly affected (p < 0.05 by a combined influence of wall composition and initial core load. Microencapsulation efficiency, MEE, ranged from 25.4 to 91.6% and from 12.4 to 91.4% after 5 and 30 min of extraction, respectively (p < 0.05. MEE was significantly influenced by wall composition, extraction time, initial core load and DE value of the maltodextrins. Results indicated that wall solutions containing as low as 2.5% SPI and 17.5% maltodextrin were very effective as microencapsulating agents for high oil load. Results highlighted the functionality of SPI as microencapsulating agent in food applications and indicated the importance of carefully designing the composition of core-in-wall-emulsions.

  2. Correlating antimicrobial activity and model membrane leakage induced by nylon-3 polymers and detergents.

    Science.gov (United States)

    Hovakeemian, Sara G; Liu, Runhui; Gellman, Samuel H; Heerklotz, Heiko

    2015-09-14

    Most antimicrobial peptides act upon target microorganisms by permeabilizing their membranes. The mode of action is often assessed by vesicle leakage experiments that use model membranes, with the assumption that biological activity correlates with the permeabilization of the lipid bilayer. The current work aims to extend the interpretation of vesicle leakage results and examine the correlation between vesicle leakage and antimicrobial activity. To this end, we used a lifetime-based leakage assay with calcein-loaded vesicles to study the membrane permeabilizing properties of a novel antifungal polymer poly-NM, two of its analogs, and a series of detergents. In conjunction, the biological activities of these compounds against Candida albicans were assessed and correlated with data from vesicle leakage. Poly-NM induces all-or-none leakage in polar yeast lipid vesicles at the polymer's MIC, 3 μg mL(-1). At this and higher concentrations, complete leakage after an initial lag time was observed. Concerted activity tests imply that this polymer acts independently of the detergent octyl glucoside (OG) for both vesicle leakage and activity against C. albicans spheroplasts. In addition, poly-NM was found to have negligible activity against zwitterionic vesicles and red blood cells. Our results provide a consistent, detailed picture of the mode of action of poly-NM: this polymer induces membrane leakage by electrostatic lipid clustering. In contrast, poly-MM:CO, a nylon-3 polymer comprised of both cationic and hydrophobic segments, seems to act by a different mechanism that involves membrane asymmetry stress. Vesicle leakage for this polymer is transient (limited to nylon-3 polymers we examined act via similar mechanisms; it is surprising that their mechanisms are so distinct. Some, but not all mechanisms of vesicle permeabilization allow for antimicrobial activity.

  3. Redistribution of Cholesterol in Model Lipid Membranes in Response to the Membrane-Active Peptide Alamethicin

    Science.gov (United States)

    Heller, William; Qian, Shuo

    2013-03-01

    The cellular membrane is a heterogeneous, dynamic mixture of molecules and macromolecules that self-assemble into a tightly-regulated functional unit that provides a semipermeable barrier between the cell and its environment. Among the many compositional differences between mammalian and bacterial cell membranes that impact its physical properties, one key difference is cholesterol content, which is more prevalent in mammals. Cholesterol is an amphiphile that associates with membranes and serves to maintain its fluidity and permeability. Membrane-active peptides, such as the alpha-helical peptide alamethicin, interact with membranes in a concentration- and composition-dependent manner to form transmembrane pores that are responsible for the lytic action of the peptide. Through the use of small-angle neutron scattering and deuterium labeling, it was possible to observe a redistribution of the lipid and cholesterol in unilamellar vesicles in response to the presence of alamethicin at a peptide-to-lipid ratio of 1/200. The results demonstrate that the membrane remodeling powers of alamethicin reach beyond the membrane thinning effect to altering the localization of specific components in the bilayer, complementing the accepted two-state mechanism of pore formation. Research was supported by U. S. DOE-OBER (CSMB; FWP ERKP291) and the U. S. DOE-BES Scientific User Facilities Division (ORNL's SNS and HFIR).

  4. Membrane dynamics

    DEFF Research Database (Denmark)

    Bendix, Pól Martin

    2015-01-01

    Current topics include membrane-protein interactions with regard to membrane deformation or curvature sensing by BAR domains. Also, we study the dynamics of membrane tubes of both cells and simple model membrane tubes. Finally, we study membrane phase behavior which has important implications...

  5. Self-consistent tight-binding model of B and N doping in graphene

    DEFF Research Database (Denmark)

    Pedersen, Thomas Garm; Pedersen, Jesper Goor

    2013-01-01

    . The impurity potential depends sensitively on the impurity occupancy, leading to a self-consistency requirement. We solve this problem using the impurity Green's function and determine the self-consistent local density of states at the impurity site and, thereby, identify acceptor and donor energy resonances.......Boron and nitrogen substitutional impurities in graphene are analyzed using a self-consistent tight-binding approach. An analytical result for the impurity Green's function is derived taking broken electron-hole symmetry into account and validated by comparison to numerical diagonalization...

  6. Advanced Wastewater Treatment Engineering—Investigating Membrane Fouling in both Rotational and Static Membrane Bioreactor Systems Using Empirical Modelling

    Directory of Open Access Journals (Sweden)

    Parneet Paul

    2016-01-01

    Full Text Available Advanced wastewater treatment using membranes are popular environmental system processes since they allow reuse and recycling. However, fouling is a key limiting factor and so proprietary systems such as Avanti’s RPU-185 Flexidisks membrane bioreactor (MBR use novel rotating membranes to assist in ameliorating it. In earlier research, this rotating process was studied by creating a simulation model based on first principles and traditional fouling mechanisms. In order to directly compare the potential benefits of this rotational system, this follow-up study was carried out using Avanti’s newly developed static (non-rotating Flexidisks MBR system. The results from operating the static pilot unit were simulated and modelled using the rotational fouling model developed earlier however with rotational switching functions turned off and rotational parameters set to a static mode. The study concluded that a rotating MBR system could increase flux throughput when compared against a similar static system. It is thought that although the slowly rotating spindle induces a weak crossflow shear, it is still able to even out cake build up across the membrane surface, thus reducing the likelihood of localised critical flux being exceeded at the micro level and lessening the potential of rapid trans-membrane pressure increases at the macro level.

  7. Modelling membrane hydration and water balance of a pem fuel cell

    DEFF Research Database (Denmark)

    Liso, Vincenzo; Nielsen, Mads Pagh

    2015-01-01

    propose a novel mathematical zero-dimensional model for water mass balance of a polymer electrolyte membrane. Physical and electrochemical processes occurring in the membrane electrolyte are included; water adsorption/desorption phenomena are also considered. The effect of diffusivity, surface roughness...... of water transport when membrane absorption/desorption is considered in the model. The model becomes useful when studying fuel cell systems in dynamic conditions....

  8. Eicosapentaenoic acid reduces membrane fluidity, inhibits cholesterol domain formation, and normalizes bilayer width in atherosclerotic-like model membranes.

    Science.gov (United States)

    Mason, R Preston; Jacob, Robert F; Shrivastava, Sandeep; Sherratt, Samuel C R; Chattopadhyay, Amitabha

    2016-12-01

    Cholesterol crystalline domains characterize atherosclerotic membranes, altering vascular signaling and function. Omega-3 fatty acids reduce membrane lipid peroxidation and subsequent cholesterol domain formation. We evaluated non-peroxidation-mediated effects of eicosapentaenoic acid (EPA), other TG-lowering agents, docosahexaenoic acid (DHA), and other long-chain fatty acids on membrane fluidity, bilayer width, and cholesterol domain formation in model membranes. In membranes prepared at 1.5:1 cholesterol-to-phospholipid (C/P) mole ratio (creating pre-existing domains), EPA, glycyrrhizin, arachidonic acid, and alpha linolenic acid promoted the greatest reductions in cholesterol domains (by 65.5%, 54.9%, 46.8%, and 45.2%, respectively) compared to controls; other treatments had modest effects. EPA effects on cholesterol domain formation were dose-dependent. In membranes with 1:1 C/P (predisposing domain formation), DHA, but not EPA, dose-dependently increased membrane fluidity. DHA also induced cholesterol domain formation without affecting temperature-induced changes in-bilayer unit cell periodicity relative to controls (d-space; 57Å-55Å over 15-30°C). Together, these data suggest simultaneous formation of distinct cholesterol-rich ordered domains and cholesterol-poor disordered domains in the presence of DHA. By contrast, EPA had no effect on cholesterol domain formation and produced larger d-space values relative to controls (60Å-57Å; pacids with differing chain length or unsaturation may differentially influence membrane lipid dynamics and structural organization as a result of distinct phospholipid/sterol interactions. Copyright © 2016. Published by Elsevier B.V.

  9. Assessing the Accuracy and Consistency of Language Proficiency Classification under Competing Measurement Models

    Science.gov (United States)

    Zhang, Bo

    2010-01-01

    This article investigates how measurement models and statistical procedures can be applied to estimate the accuracy of proficiency classification in language testing. The paper starts with a concise introduction of four measurement models: the classical test theory (CTT) model, the dichotomous item response theory (IRT) model, the testlet response…

  10. Hydrologic consistency as a basis for assessing complexity of monthly water balance models for the continental United States

    Science.gov (United States)

    Martinez, Guillermo F.; Gupta, Hoshin V.

    2011-12-01

    Methods to select parsimonious and hydrologically consistent model structures are useful for evaluating dominance of hydrologic processes and representativeness of data. While information criteria (appropriately constrained to obey underlying statistical assumptions) can provide a basis for evaluating appropriate model complexity, it is not sufficient to rely upon the principle of maximum likelihood (ML) alone. We suggest that one must also call upon a "principle of hydrologic consistency," meaning that selected ML structures and parameter estimates must be constrained (as well as possible) to reproduce desired hydrological characteristics of the processes under investigation. This argument is demonstrated in the context of evaluating the suitability of candidate model structures for lumped water balance modeling across the continental United States, using data from 307 snow-free catchments. The models are constrained to satisfy several tests of hydrologic consistency, a flow space transformation is used to ensure better consistency with underlying statistical assumptions, and information criteria are used to evaluate model complexity relative to the data. The results clearly demonstrate that the principle of consistency provides a sensible basis for guiding selection of model structures and indicate strong spatial persistence of certain model structures across the continental United States. Further work to untangle reasons for model structure predominance can help to relate conceptual model structures to physical characteristics of the catchments, facilitating the task of prediction in ungaged basins.

  11. Studying the Consistency between and within the Student Mental Models for Atomic Structure

    Science.gov (United States)

    Zarkadis, Nikolaos; Papageorgiou, George; Stamovlasis, Dimitrios

    2017-01-01

    Science education research has revealed a number of student mental models for atomic structure, among which, the one based on Bohr's model seems to be the most dominant. The aim of the current study is to investigate the coherence of these models when students apply them for the explanation of a variety of situations. For this purpose, a set of…

  12. Modelling and validation of Proton exchange membrane fuel cell (PEMFC)

    Science.gov (United States)

    Mohiuddin, A. K. M.; Basran, N.; Khan, A. A.

    2018-01-01

    This paper is the outcome of a small scale fuel cell project. Fuel cell is an electrochemical device that converts energy from chemical reaction to electrical work. Proton Exchange Membrane Fuel Cell (PEMFC) is one of the different types of fuel cell, which is more efficient, having low operational temperature and fast start up capability results in high energy density. In this study, a mathematical model of 1.2 W PEMFC is developed and simulated using MATLAB software. This model describes the PEMFC behaviour under steady-state condition. This mathematical modeling of PEMFC determines the polarization curve, power generated, and the efficiency of the fuel cell. Simulation results were validated by comparing with experimental results obtained from the test of a single PEMFC with a 3 V motor. The performance of experimental PEMFC is little lower compared to simulated PEMFC, however both results were found in good agreement. Experiments on hydrogen flow rate also been conducted to obtain the amount of hydrogen consumed to produce electrical work on PEMFC.

  13. Self-consistent field modeling of linear non-ionic micelles

    NARCIS (Netherlands)

    Jodar-Reyes, A.B.; Leermakers, F.A.M.

    2006-01-01

    A self-consistent field theory is used to predict structural, mechanical, and thermodynamical properties of linear micelles of selected nonionic surfactants of the type CnEm. Upon increase in surfactant concentration the sudden micelle shape transition from spherical to cylindrical (second critical

  14. Pedagogical Approaches Used by Faculty in Holland's Model Environments: The Role of Environmental Consistency

    Science.gov (United States)

    Smart, John C.; Ethington, Corinna A.; Umbach, Paul D.

    2009-01-01

    This study examines the extent to which faculty members in the disparate academic environments of Holland's theory devote different amounts of time in their classes to alternative pedagogical approaches and whether such differences are comparable for those in "consistent" and "inconsistent" environments. The findings show wide variations in the…

  15. Plasma Processes: A self-consistent kinetic modeling of a 1-D ...

    Indian Academy of Sciences (India)

    A self-consistent kinetic treatment is presented here, where the Boltzmann equation is solved for a particle conserving Krook collision operator. The resulting equations have been implemented numerically. The treatment solves for the entire quasineutral column, making no assumptions about mfp/, where mfp is the ...

  16. Consistent and Clear Reporting of Results from Diverse Modeling Techniques: The A3 Method

    Directory of Open Access Journals (Sweden)

    Scott Fortmann-Roe

    2015-08-01

    Full Text Available The measurement and reporting of model error is of basic importance when constructing models. Here, a general method and an R package, A3, are presented to support the assessment and communication of the quality of a model fit along with metrics of variable importance. The presented method is accurate, robust, and adaptable to a wide range of predictive modeling algorithms. The method is described along with case studies and a usage guide. It is shown how the method can be used to obtain more accurate models for prediction and how this may simultaneously lead to altered inferences and conclusions about the impact of potential drivers within a system.

  17. Protein-lipid interactions in bilayer membranes: A lattice model

    Science.gov (United States)

    Pink, David A.; Chapman, Dennis

    1979-01-01

    A lattice model has been developed to study the effects of intrinsic membrane proteins upon the thermodynamic properties of a lipid bilayer membrane. We assume that only nearest-neighbor van der Waals and steric interactions are important and that the polar group interactions can be represented by effective pressure—area terms. Phase diagrams, the temperature T0, which locates the gel—fluid melting, the transition enthalpy, and correlations were calculated by mean field and cluster approximations. Average lipid chain areas and chain areas when the lipid is in a given protein environment were obtained. Proteins that have a “smooth” homogeneous surface (“cholesterol-like”) and those that have inhomogeneous surfaces or that bind lipids specifically were considered. We find that T0 can vary depending upon the interactions and that another peak can appear upon the shoulder of the main peak which reflects the melting of a eutectic mixture. The transition enthalpy decreases generally, as was found before, but when a second peak appears departures from this behavior reflect aspects of the eutectic mixture. We find that proteins have significant nonzero probabilities for being adjacent to one another so that no unbroken “annulus” of lipid necessarily exists around a protein. If T0 does not increase much, or decreases, with increasing c, then lipids adjacent to a protein cannot all be all-trans on the time scale (10-7 sec) of our system. Around a protein the lipid correlation depth is about one lipid layer, and this increases with c. Possible consequences of ignoring changes in polar group interactions due to clustering of proteins are discussed. PMID:286996

  18. Achieving consistent multiple daily low-dose Bacillus anthracis spore inhalation exposures in the rabbit model

    Directory of Open Access Journals (Sweden)

    Roy E Barnewall

    2012-06-01

    Full Text Available Repeated low-level exposures to Bacillus anthracis could occur before or after the remediation of an environmental release. This is especially true for persistent agents such as Bacillus anthracis spores, the causative agent of anthrax. Studies were conducted to examine aerosol methods needed for consistent daily low aerosol concentrations to deliver a low-dose (less than 106 colony forming units (CFU of B. anthracis spores and included a pilot feasibility characterization study, acute exposure study, and a multiple fifteen day exposure study. This manuscript focuses on the state-of-the-science aerosol methodologies used to generate and aerosolize consistent daily low aerosol concentrations and resultant low inhalation doses. The pilot feasibility characterization study determined that the aerosol system was consistent and capable of producing very low aerosol concentrations. In the acute, single day exposure experiment, targeted inhaled doses of 1 x 102, 1 x 103, 1 x 104, and 1 x 105 CFU were used. In the multiple daily exposure experiment, rabbits were exposed multiple days to targeted inhaled doses of 1 x 102, 1 x 103, and 1 x 104 CFU. In all studies, targeted inhaled doses remained fairly consistent from rabbit to rabbit and day to day. The aerosol system produced aerosolized spores within the optimal mass median aerodynamic diameter particle size range to reach deep lung alveoli. Consistency of the inhaled dose was aided by monitoring and recording respiratory parameters during the exposure with real-time plethysmography. Overall, the presented results show that the animal aerosol system was stable and highly reproducible between different studies and multiple exposure days.

  19. Mechanics and dynamics of triglyceride-phospholipid model membranes

    DEFF Research Database (Denmark)

    Pakkanen, Kirsi I.; Duelund, Lars; Qvortrup, Klaus

    2011-01-01

    We demonstrate here that triolein alters the mechanical properties of phospholipid membranes and induces extraordinary conformational dynamics. Triolein containing membranes exhibit fluctuations up to size range of 100µm and with the help of these are e.g. able to squeeze through narrow passages...... with larger lamellar distances observed in the TOPOPC membranes. These findings suggest repulsion between adjacent membranes. We provide a comprehensive discussion on the possible explanations for the observed mechanics and dynamics in the TOPOPC system and on their potential cellular implications....

  20. The practical use of resistance modelling to interpret the gas separation properties of hollow fiber membranes

    International Nuclear Information System (INIS)

    Ahmad Fauzi Ismail; Shilton, S.J.

    2000-01-01

    A simple resistance modelling methodology is presented for gas transport through asymmetric polymeric membranes. The methodology allows fine structural properties such as active layer thickness and surface porosity, to be determined from experimental gas permeation data. This paper, which could be regarded as a practical guide, shows that resistance modeling, if accompanied by realistic working assumptions, need not be difficult and can provide a valuable insight into the relationships between the membrane fabrication conditions and performance of gas separation membranes. (Author)

  1. Self-consistent gyrokinetic modeling of neoclassical and turbulent impurity transport

    OpenAIRE

    Estève , D. ,; Sarazin , Y.; Garbet , X.; Grandgirard , V.; Breton , S. ,; Donnel , P. ,; Asahi , Y. ,; Bourdelle , C.; Dif-Pradalier , G; Ehrlacher , C.; Emeriau , C.; Ghendrih , Ph; Gillot , C.; Latu , G.; Passeron , C.

    2018-01-01

    International audience; Trace impurity transport is studied with the flux-driven gyrokinetic GYSELA code [V. Grandgirard et al., Comp. Phys. Commun. 207, 35 (2016)]. A reduced and linearized multi-species collision operator has been recently implemented, so that both neoclassical and turbulent transport channels can be treated self-consistently on an equal footing. In the Pfirsch-Schlüter regime likely relevant for tungsten, the standard expression of the neoclassical impurity flux is shown t...

  2. The Bioenvironmental modeling of Bahar city based on Climate-consistent Architecture

    OpenAIRE

    Parna Kazemian

    2014-01-01

    The identification of the climate of a particularplace and the analysis of the climatic needs in terms of human comfort and theuse of construction materials is one of the prerequisites of aclimate-consistent design. In studies on climate and weather, usingillustrative reports, first a picture of the state of climate is offered. Then,based on the obtained results, the range of changes is determined, and thecause-effect relationships at different scales are identified. Finally, by ageneral exam...

  3. Self-consistent gyrokinetic modeling of neoclassical and turbulent impurity transport

    Science.gov (United States)

    Estève, D.; Sarazin, Y.; Garbet, X.; Grandgirard, V.; Breton, S.; Donnel, P.; Asahi, Y.; Bourdelle, C.; Dif-Pradalier, G.; Ehrlacher, C.; Emeriau, C.; Ghendrih, Ph.; Gillot, C.; Latu, G.; Passeron, C.

    2018-03-01

    Trace impurity transport is studied with the flux-driven gyrokinetic GYSELA code (Grandgirard et al 2016 Comput. Phys. Commun. 207 35). A reduced and linearized multi-species collision operator has been recently implemented, so that both neoclassical and turbulent transport channels can be treated self-consistently on an equal footing. In the Pfirsch-Schlüter regime that is probably relevant for tungsten, the standard expression for the neoclassical impurity flux is shown to be recovered from gyrokinetics with the employed collision operator. Purely neoclassical simulations of deuterium plasma with trace impurities of helium, carbon and tungsten lead to impurity diffusion coefficients, inward pinch velocities due to density peaking, and thermo-diffusion terms which quantitatively agree with neoclassical predictions and NEO simulations (Belli et al 2012 Plasma Phys. Control. Fusion 54 015015). The thermal screening factor appears to be less than predicted analytically in the Pfirsch-Schlüter regime, which can be detrimental to fusion performance. Finally, self-consistent nonlinear simulations have revealed that the tungsten impurity flux is not the sum of turbulent and neoclassical fluxes computed separately, as is usually assumed. The synergy partly results from the turbulence-driven in-out poloidal asymmetry of tungsten density. This result suggests the need for self-consistent simulations of impurity transport, i.e. including both turbulence and neoclassical physics, in view of quantitative predictions for ITER.

  4. Development of a mechanistic model for prediction of CO2 capture from gas mixtures by amine solutions in porous membranes.

    Science.gov (United States)

    Ghadiri, Mehdi; Marjani, Azam; Shirazian, Saeed

    2017-06-01

    A mechanistic model was developed in order to predict capture and removal of CO 2 from air using membrane technology. The considered membrane was a hollow-fiber contactor module in which gas mixture containing CO 2 was assumed as feed while 2-amino-2-metyl-1-propanol (AMP) was used as an absorbent. The mechanistic model was developed according to transport phenomena taking into account mass transfer and chemical reaction between CO 2 and amine in the contactor module. The main aim of modeling was to track the composition and flux of CO 2 and AMP in the membrane module for process optimization. For modeling of the process, the governing equations were computed using finite element approach in which the whole model domain was discretized into small cells. To confirm the simulation findings, model outcomes were compared with experimental data and good consistency was revealed. The results showed that increasing temperature of AMP solution increases CO 2 removal in the hollow-fiber membrane contactor.

  5. Are the models for type Ia supernova progenitors consistent with the properties of supernova remnants?,

    NARCIS (Netherlands)

    Badenes, C.; Hughes, J.P.; Bravo, E.; Langer, N.

    2007-01-01

    We explore the relationship between the models for progenitor systems of Type Ia supernovae and the properties of the supernova remnants that evolve after the explosion. Most models for Type Ia progenitors in the single-degenerate scenario predict substantial outflows during the presupernova

  6. Physically-consistent wall boundary conditions for the k-ω turbulence model

    DEFF Research Database (Denmark)

    Fuhrman, David R.; Dixen, Martin; Jacobsen, Niels Gjøl

    2010-01-01

    A model solving Reynolds-averaged Navier–Stokes equations, coupled with k-v turbulence closure, is used to simulate steady channel flow on both hydraulically smooth and rough beds. Novel experimental data are used as model validation, with k measured directly from all three components...

  7. CONSISTENT USE OF THE KALMAN FILTER IN CHEMICAL TRANSPORT MODELS (CTMS) FOR DEDUCING EMISSIONS

    Science.gov (United States)

    Past research has shown that emissions can be deduced using observed concentrations of a chemical, a Chemical Transport Model (CTM), and the Kalman filter in an inverse modeling application. An expression was derived for the relationship between the "observable" (i.e., the con...

  8. Hydrological hysteresis and its value for assessing process consistency in catchment conceptual models

    Science.gov (United States)

    O. Fovet; L. Ruiz; M. Hrachowitz; M. Faucheux; C. Gascuel-Odoux

    2015-01-01

    While most hydrological models reproduce the general flow dynamics, they frequently fail to adequately mimic system-internal processes. In particular, the relationship between storage and discharge, which often follows annual hysteretic patterns in shallow hard-rock aquifers, is rarely considered in modelling studies. One main reason is that catchment storage is...

  9. An advanced simulation model for membrane bioreactors: development, calibration and validation.

    Science.gov (United States)

    Ludwig, T; Gaida, D; Keysers, C; Pinnekamp, J; Bongards, M; Kern, P; Wolf, C; Sousa Brito, A L

    2012-01-01

    Membrane wastewater treatment plants (WWTPs) have several advantages compared with conventionally designed WWTPs with classical purification techniques. The filtration process is the key to their commercial success in Germany with respect to energy consumption and effectiveness, enabled by the optimization of filtration using a dynamic simulation model. This work is focused on the development of a robust, flexible and practically applicable membrane simulation model for submerged hollow-fibre and flat-sheet membrane modules. The model is based on standard parameters usually measured on membrane WWTPs. The performance of the model is demonstrated by successful calibration and validation for three different full-scale membrane WWTPs achieving good results. Furthermore, the model is combinable with Activated Sludge Models.

  10. Parametric linear modeling of circular cMUT membranes in vacuum.

    Science.gov (United States)

    Köymen, Hayrettin; Senlik, Muhammed N; Atalar, Abdullah; Olcum, Selim

    2007-06-01

    We present a lumped element parametric model for the clamped circular membrane of a capacitive micromachined ultrasonic transducer (cMUT). The model incorporates an electrical port and two sets of acoustic ports, through which the cMUT couples to the medium. The modeling approach is based on matching a lumped element model and the mechanical impedance of the cMUT membrane at the resonance frequencies in vacuum. Very good agreement between finite element simulation results and model impedance is obtained. Equivalent circuit model parameters can be found from material properties and membrane dimensions without a need for finite element simulation.

  11. An averaged polarizable potential for multiscale modeling in phospholipid membranes

    DEFF Research Database (Denmark)

    Witzke, Sarah; List, Nanna Holmgaard; Olsen, Jógvan Magnus Haugaard

    2017-01-01

    is underlined for the description of larger assemblies of lipids, that is, membranes. In conclusion, we find that specially developed polarizable parameters are needed for embedding calculations in membranes, while common non-polarizable point-charge force fields usually perform well enough for structural...

  12. Aroma Stripping under various Forms of Membrane Distillation Processes: Experiments and modeling

    DEFF Research Database (Denmark)

    Jonsson, Gunnar Eigil

    Concentration of fruit juices by membrane distillation is an interesting process as it can be done at low temperature giving a gentle concentration process with little deterioration of the juices. Since the juices contains many different aroma compounds with a wide range of chemical properties...... such as volatility, activity coefficient and vapor pressure, it is important to know how these aroma compounds will eventually pass through the membrane. Experiments have been made on an aroma model solution and on black currant juice in a lab scale membrane distillation set up which can be operated in various types...... of MD configurations: Vacuum Membrane Distillation , Sweeping Gas Membrane Distillation , Direct Contact Membrane Distillation and Osmotic Membrane Distillation. The influence of feed temperature and feed flow rate on the permeate flux and concentration factor for different types of aroma compounds have...

  13. Consistency tests of cosmogonic theories from models of Uranus and Neptune

    Science.gov (United States)

    Podolak, M.; Reynolds, R. T.

    1984-01-01

    The planetary ratios of ice to rock (I/R) abundances expected in Uranus and Neptune are derived on the basis of several cosmogonic theories. For both Uranus and Neptune, the value of I/R lies between about 1.0 and 3.6. This value is difficult to reconcile with a scenario in which N and C are accreted primarily in the form of N2 and CO. It is consistent with some versions of both giant protoplanet theories and equilibrium accretion theories.

  14. Derivation of a Self-Consistent Auroral Oval Model Using the Auroral Boundary Index

    National Research Council Canada - National Science Library

    Anderson, Keith

    2004-01-01

    ... current HF communications capabilities. The auroral morphology is a good indicator of the level at which space weather and its near-Earth consequences are occurring, and thus it is important to develop an auroral prediction model...

  15. Consistent Particle-Continuum Modeling and Simulation of Flows in Strong Thermochemical Nonequilibrium

    Data.gov (United States)

    National Aeronautics and Space Administration — During hypersonic entry into a planetary atmosphere, a spacecraft transitions from free-molecular flow conditions to fully continuum conditions. When modeling and...

  16. A consistent turbulence formulation for the dynamic wake meandering model in the atmospheric boundary layer

    DEFF Research Database (Denmark)

    Keck, Rolf-Erik; Veldkamp, Dick; Wedel-Heinen, Jens Jakob

    as a standalone flow-solver for the velocity and turbulence distribution, and power production in a wind farm. The performance of the standalone implementation is validated against field data, higher-order computational fluid dynamics models, as well as the most common engineering wake models in the wind industry...... evolution 4. atmospheric stability effects on wake deficit evolution and meandering The conducted research is to a large extent based on detailed wake investigations and reference data generated through computational fluid dynamics simulations, where the wind turbine rotor has been represented......This thesis describes the further development and validation of the dynamic meandering wake model for simulating the flow field and power production of wind farms operating in the atmospheric boundary layer (ABL). The overall objective of the conducted research is to improve the modelling...

  17. Thermodynamically consistent modeling of elementary electrochemistry in lithium-ion batteries

    International Nuclear Information System (INIS)

    Colclasure, Andrew M.; Kee, Robert J.

    2010-01-01

    This paper is particularly concerned with the elementary reactions and transport processes that are responsible for Li-ion battery performance. The model generally follows the widely practiced approach developed by Newman and co-workers (e.g., Doyle et al., J. Electrochem. Soc. 140 (1993) 1526 ). However, there are significant departures, especially in modeling electrochemical charge transfer. The present approach introduces systems of microscopically reversible reactions, including both heterogeneous thermal reactions and electrochemical charge-transfer reactions. All reaction rates are evaluated in elementary form, providing a powerful alternative to a Butler-Volmer formalism for the charge-transfer reactions. The paper is particularly concerned with the influence of non-ideal thermodynamics for evaluating reversible potentials as well as charge-transfer rates. The theory and modeling approach establishes a framework for extending chemistry models to incorporate detailed reaction mechanisms that represent multiple competitive reaction pathways.

  18. An Analytical Model for CMUTs with Square Multilayer Membranes Using the Ritz Method

    Directory of Open Access Journals (Sweden)

    Wen Zhang

    2016-03-01

    Full Text Available Capacitive micromachined ultrasonic transducer (CMUT multilayer membrane plays an important role in the performance metrics including the transmitting efficiency and the receiving sensitivity. However, there are few studies of the multilayer membranes. Some analytical models simplify the multilayer membrane as monolayer, which results in inaccuracies. This paper presents a new analytical model for CMUTs with multilayer membranes, which can rapidly and accurately predict static deflection and response frequency of the multilayer membrane under external pressures. The derivation is based on the Ritz method and Hamilton’s principle. The mathematical relationships between the external pressure, static deflection, and response frequency are obtained. Relevant residual stress compensation method is derived. The model has been verified for three-layer and double-layer CMUT membranes by comparing its results with finite element method (FEM simulations, experimental data, and other monolayer models that treat CMUTs as monolayer plates/membranes. For three-layer CMUT membranes, the relative errors are ranging from 0.71%–3.51% for the static deflection profiles, and 0.35%–4.96% for the response frequencies, respectively. For the double-layer CMUT membrane, the relative error with residual stress compensation is 4.14% for the central deflection, and −1.17% for the response frequencies, respectively. This proposed analytical model can serve as a reliable reference and an accurate tool for CMUT design and optimization.

  19. Antimicrobial Nanoplexes meet Model Bacterial Membranes: the key role of Cardiolipin

    Science.gov (United States)

    Marín-Menéndez, Alejandro; Montis, Costanza; Díaz-Calvo, Teresa; Carta, Davide; Hatzixanthis, Kostas; Morris, Christopher J.; McArthur, Michael; Berti, Debora

    2017-01-01

    Antimicrobial resistance to traditional antibiotics is a crucial challenge of medical research. Oligonucleotide therapeutics, such as antisense or Transcription Factor Decoys (TFDs), have the potential to circumvent current resistance mechanisms by acting on novel targets. However, their full translation into clinical application requires efficient delivery strategies and fundamental comprehension of their interaction with target bacterial cells. To address these points, we employed a novel cationic bolaamphiphile that binds TFDs with high affinity to form self-assembled complexes (nanoplexes). Confocal microscopy revealed that nanoplexes efficiently transfect bacterial cells, consistently with biological efficacy on animal models. To understand the factors affecting the delivery process, liposomes with varying compositions, taken as model synthetic bilayers, were challenged with nanoplexes and investigated with Scattering and Fluorescence techniques. Thanks to the combination of results on bacteria and synthetic membrane models we demonstrate for the first time that the prokaryotic-enriched anionic lipid Cardiolipin (CL) plays a key-role in the TFDs delivery to bacteria. Moreover, we can hypothesize an overall TFD delivery mechanism, where bacterial membrane reorganization with permeability increase and release of the TFD from the nanoplexes are the main factors. These results will be of great benefit to boost the development of oligonucleotides-based antimicrobials of superior efficacy.

  20. Consistent and Conservative Model Selection with the Adaptive LASSO in Stationary and Nonstationary Autoregressions

    DEFF Research Database (Denmark)

    Kock, Anders Bredahl

    2016-01-01

    as if only these had been included in the model from the outset. In particular, this implies that it is able to discriminate between stationary and nonstationary autoregressions and it thereby constitutes an addition to the set of unit root tests. Next, and important in practice, we show that choosing...... to perform conservative model selection it has power even against shrinking alternatives of this form and compare it to the plain Lasso....

  1. Self-Consistent Model of Magnetospheric Electric Field, Ring Current, Plasmasphere, and Electromagnetic Ion Cyclotron Waves: Initial Results

    Science.gov (United States)

    Gamayunov, K. V.; Khazanov, G. V.; Liemohn, M. W.; Fok, M.-C.; Ridley, A. J.

    2009-01-01

    Further development of our self-consistent model of interacting ring current (RC) ions and electromagnetic ion cyclotron (EMIC) waves is presented. This model incorporates large scale magnetosphere-ionosphere coupling and treats self-consistently not only EMIC waves and RC ions, but also the magnetospheric electric field, RC, and plasmasphere. Initial simulations indicate that the region beyond geostationary orbit should be included in the simulation of the magnetosphere-ionosphere coupling. Additionally, a self-consistent description, based on first principles, of the ionospheric conductance is required. These initial simulations further show that in order to model the EMIC wave distribution and wave spectral properties accurately, the plasmasphere should also be simulated self-consistently, since its fine structure requires as much care as that of the RC. Finally, an effect of the finite time needed to reestablish a new potential pattern throughout the ionosphere and to communicate between the ionosphere and the equatorial magnetosphere cannot be ignored.

  2. Understanding Detergent Effects on Lipid Membranes: A Model Study of Lysolipids

    DEFF Research Database (Denmark)

    Henriksen, Jonas Rosager; Andresen, Thomas Lars; Feldborg, Lise Nørkjær

    2010-01-01

    in terms of a phenomenological model based on continuum elastic theory, which yields information about the curvature-inducing properties of the LPC molecule. The results reveal: 1), an increase in the partition coefficient with increasing LPC acyl-chain length; and 2), that the degree of acyl-chain...... mismatch between LPC and POPC determines the magnitude of the membrane mechanical perturbation per LPC molecule in the membrane. Finally, the three-stage model describing detergent membrane interaction has been extended by a parameter D-MCI, which governs the membrane curvature stability in the detergent...... concentration range below the cmc-value of the LPC molecule....

  3. Key factors regulating the mass delivery of macromolecules to model cell membranes

    DEFF Research Database (Denmark)

    Campbell, Richard A.; Watkins, Erik B.; Jagalski, Vivien

    2014-01-01

    We show that both gravity and electrostatics are key factors regulating interactions between model cell membranes and self-assembled liquid crystalline aggregates of dendrimers and phospholipids. The system is a proxy for the trafficking of reservoirs of therapeutic drugs to cell membranes for sl...... of the aggregates to activate endocytosis pathways on specific cell types is discussed in the context of targeted drug delivery applications.......We show that both gravity and electrostatics are key factors regulating interactions between model cell membranes and self-assembled liquid crystalline aggregates of dendrimers and phospholipids. The system is a proxy for the trafficking of reservoirs of therapeutic drugs to cell membranes for slow...

  4. Replica Ornstein-Zernike Theory Applied for Studying the Equilibrium Distribution of Electrolytes across Model Membranes.

    Science.gov (United States)

    Hribar-Lee, Barbara; Lukšič, Miha

    2018-01-24

    By means of replica Ornstein-Zernike theory (supplemented in a few cases by Monte Carlo simulations) we examined the distribution of an annealed primitive model +1:-1 electrolyte in a mixture with uncharged hard spheres, or another model +1:-1 or +2:-1 electrolyte inside and outside the quenched vesicles, decorated by a model membrane, and across the membrane phase. We explored the influence of the size and charge of the annealed fluid on the partition equilibrium, as well as the effect of the vesicle size and membrane interaction parameters (repulsive barrier height, attractive depth, and membrane width). A hydrophobic cation, present in the mixture with NaCl, slightly enhanced the concentration of sodium ions inside the model vesicle, compared to pure NaCl solution. The replica theory was in good agreement with computer simulations and as such adequate for studying partitioning of small and hydrophobic ions or hydrophobic solutes across model membranes.

  5. Assessing the reliability of predictive activity coefficient models for molecules consisting of several functional groups

    Directory of Open Access Journals (Sweden)

    R. P. Gerber

    2013-03-01

    Full Text Available Currently, the most successful predictive models for activity coefficients are those based on functional groups such as UNIFAC. In contrast, these models require a large amount of experimental data for the determination of their parameter matrix. A more recent alternative is the models based on COSMO, for which only a small set of universal parameters must be calibrated. In this work, a recalibrated COSMO-SAC model was compared with the UNIFAC (Do model employing experimental infinite dilution activity coefficient data for 2236 non-hydrogen-bonding binary mixtures at different temperatures. As expected, UNIFAC (Do presented better overall performance, with a mean absolute error of 0.12 ln-units against 0.22 for our COSMO-SAC implementation. However, in cases involving molecules with several functional groups or when functional groups appear in an unusual way, the deviation for UNIFAC was 0.44 as opposed to 0.20 for COSMO-SAC. These results show that COSMO-SAC provides more reliable predictions for multi-functional or more complex molecules, reaffirming its future prospects.

  6. Consistency Between Convection Allowing Model Output and Passive Microwave Satellite Observations

    Science.gov (United States)

    Bytheway, J. L.; Kummerow, C. D.

    2018-01-01

    Observations from the Global Precipitation Measurement (GPM) core satellite were used along with precipitation forecasts from the High Resolution Rapid Refresh (HRRR) model to assess and interpret differences between observed and modeled storms. Using a feature-based approach, precipitating objects were identified in both the National Centers for Environmental Prediction Stage IV multisensor precipitation product and HRRR forecast at lead times of 1, 2, and 3 h at valid times corresponding to GPM overpasses. Precipitating objects were selected for further study if (a) the observed feature occurred entirely within the swath of the GPM Microwave Imager (GMI) and (b) the HRRR model predicted it at all three forecast lead times. Output from the HRRR model was used to simulate microwave brightness temperatures (Tbs), which were compared to those observed by the GMI. Simulated Tbs were found to have biases at both the warm and cold ends of the distribution, corresponding to the stratiform/anvil and convective areas of the storms, respectively. Several experiments altered both the simulation microphysics and hydrometeor classification in order to evaluate potential shortcomings in the model's representation of precipitating clouds. In general, inconsistencies between observed and simulated brightness temperatures were most improved when transferring snow water content to supercooled liquid hydrometeor classes.

  7. An in vitro model of the glomerular capillary wall using electrospun collagen nanofibres in a bioartificial composite basement membrane.

    Directory of Open Access Journals (Sweden)

    Sadie C Slater

    Full Text Available The filtering unit of the kidney, the glomerulus, contains capillaries whose walls function as a biological sieve, the glomerular filtration barrier. This comprises layers of two specialised cells, glomerular endothelial cells (GEnC and podocytes, separated by a basement membrane. Glomerular filtration barrier function, and dysfunction in disease, remains incompletely understood, partly due to difficulties in studying the relevant cell types in vitro. We have addressed this by generation of unique conditionally immortalised human GEnC and podocytes. However, because the glomerular filtration barrier functions as a whole, it is necessary to develop three dimensional co-culture models to maximise the benefit of the availability of these cells. Here we have developed the first two tri-layer models of the glomerular capillary wall. The first is based on tissue culture inserts and provides evidence of cell-cell interaction via soluble mediators. In the second model the synthetic support of the tissue culture insert is replaced with a novel composite bioartificial membrane. This consists of a nanofibre membrane containing collagen I, electrospun directly onto a micro-photoelectroformed fine nickel supporting mesh. GEnC and podocytes grew in monolayers on either side of the insert support or the novel membrane to form a tri-layer model recapitulating the human glomerular capillary in vitro. These models will advance the study of both the physiology of normal glomerular filtration and of its disruption in glomerular disease.

  8. Consistency of Earth Radiation Budget Experiment bidirectional models and the observed anisotropy of reflected sunlight

    Science.gov (United States)

    Baldwin, Daniel G.; Coakley, James A., Jr.

    1991-01-01

    The anisotropy of the radiance field estimated from bidirectional models derived from Nimbus 7 ERB scanner data is compared with the anisotropy observed with the ERB Experiment (ERBE) scanner aboard the ERB satellite. The results of averaging over groups of 40 ERBE scanner scan lines for a period of a month revealed significant differences between the modeled and the observed anisotropy for given scene types and the sun-earth-satellite viewing geometries. By comparing the radiative fluxes derived using the observed anisotropy with those derived assuming isotropic reflection, it is concluded that a reasonable estimate for the maximum error due to the use of incorrect bidirectional models is a bias of about 4 percent for a typical 2.5 deg latitude-longitude monthly mean, and an rms error of 15 percent.

  9. Is the thermal-spike model consistent with experimentally determined electron temperature?

    International Nuclear Information System (INIS)

    Ajryan, Eh.A.; Fedorov, A.V.; Kostenko, B.F.

    2000-01-01

    Carbon K-Auger electron spectra from amorphous carbon foils induced by fast heavy ions are theoretically investigated. The high-energy tail of the Auger structure showing a clear projectile charge dependence is analyzed within the thermal-spike model framework as well as in the frame of another model taking into account some kinetic features of the process. A poor comparison results between theoretically and experimentally determined temperatures are suggested to be due to an improper account of double electron excitations or due to shake-up processes which leave the system in a more energetic initial state than a statically screened core hole

  10. Investigating the consistency between proxy-based reconstructions and climate models using data assimilation: a mid-Holocene case study

    NARCIS (Netherlands)

    A. Mairesse; H. Goosse; P. Mathiot; H. Wanner; S. Dubinkina (Svetlana)

    2013-01-01

    htmlabstractThe mid-Holocene (6 kyr BP; thousand years before present) is a key period to study the consistency between model results and proxy-based reconstruction data as it corresponds to a standard test for models and a reasonable number of proxy-based records is available. Taking advantage of

  11. Surface pH controls purple-to-blue transition of bacteriorhodopsin. A theoretical model of purple membrane surface.

    Science.gov (United States)

    Szundi, I; Stoeckenius, W

    1989-08-01

    We have developed a surface model of purple membrane and applied it in an analysis of the purple-to-blue color change of bacteriorhodopsin which is induced by acidification or deionization. The model is based on dissociation and double layer theory and the known membrane structure. We calculated surface pH, ion concentrations, charge density, and potential as a function of bulk pH and concentration of mono- and divalent cations. At low salt concentrations, the surface pH is significantly lower than the bulk pH and it becomes independent of bulk pH in the deionized membrane suspension. Using an experimental acid titration curve for neutral, lipid-depleted membrane, we converted surface pH into absorption values. The calculated bacteriohodopsin color changes for acidification of purple, and titrations of deionized blue membrane with cations or base agree well with experimental results. No chemical binding is required to reproduce the experimental curves. Surface charge and potential changes in acid, base and cation titrations are calculated and their relation to the color change is discussed. Consistent with structural data, 10 primary phosphate and two basic surface groups per bacteriorhodopsin are sufficient to obtain good agreement between all calculated and experimental curves. The results provide a theoretical basis for our earlier conclusion that the purple-to-blue transition must be attributed to surface phenomena and not to cation binding at specific sites in the protein.

  12. Self-consistent collisional-radiative model for hydrogen atoms: Atom–atom interaction and radiation transport

    International Nuclear Information System (INIS)

    Colonna, G.; Pietanza, L.D.; D’Ammando, G.

    2012-01-01

    Graphical abstract: Self-consistent coupling between radiation, state-to-state kinetics, electron kinetics and fluid dynamics. Highlight: ► A CR model of shock-wave in hydrogen plasma has been presented. ► All equations have been coupled self-consistently. ► Non-equilibrium electron and level distributions are obtained. ► The results show non-local effects and non-equilibrium radiation. - Abstract: A collisional-radiative model for hydrogen atom, coupled self-consistently with the Boltzmann equation for free electrons, has been applied to model a shock tube. The kinetic model has been completed considering atom–atom collisions and the vibrational kinetics of the ground state of hydrogen molecules. The atomic level kinetics has been also coupled with a radiative transport equation to determine the effective adsorption and emission coefficients and non-local energy transfer.

  13. On the Consistency of Gamma-Ray Burst Spectral Indices with the Synchrotron Shock Model

    Science.gov (United States)

    Preece, R. D.; Briggs, M. S.; Giblin, T. W.; Mallozzi, R. S.; Pendleton, G. N.; Paciesad, W. S.; Band, D. L.

    2002-01-01

    The current scenario for gamma-ray bursts (GRBs) involves internal shocks for the prompt GRB emission phase and external shocks for the afterglow phase. Assuming optically thin synchrotron emission from isotropically distributed energetic shocked electrons, GRB spectra observed with a low-energy power-law spectral index greater than -2/3 (for positive photon number indices E(exp alpha) indicate a problem with this model. For spectra that do not violate this condition, additional tests of the shock model can be made by comparing the low- and high-energy spectral indices, on the basis of the model's assertion that synchrotron emission from a single power-law distribution of electrons is responsible for both the low-energy and the high-energy power-law portions of the spectra. We find in most cases that the inferred relationship between the two spectral indices of observed GRB spectra is inconsistent with the constraints from the simple optically thin synchrotron shock emission model. In this sense, the prompt burst phase is different from the afterglow phase, and this difference may be related to anisotropic distributions of particles or to their continual acceleration in shocks during the prompt phase.

  14. Latent state-trait models for longitudinal family data investigating consistency in perceived support

    NARCIS (Netherlands)

    Loncke, Justine; Mayer, Axel; Eichelsheim, Veroni I.; Branje, Susan J. T.; Meeus, W.H.J.; Koot, Hans M.; Buysse, Ann; Loeys, Tom

    Support is key to healthy family functioning. Using the family social relations model (SRM), it has already been shown that variability in perceived support is mostly attributed to individual perceiver effects. Little is known, however, as to whether those effects are stable or occasion-specific.

  15. Self-consistent semi-analytic models of the first stars

    Science.gov (United States)

    Visbal, Eli; Haiman, Zoltán; Bryan, Greg L.

    2018-01-01

    We have developed a semi-analytic framework to model the large-scale evolution of the first Population III (Pop III) stars and the transition to metal-enriched star formation. Our model follows dark matter halos from cosmological N-body simulations, utilizing their individual merger histories and three-dimensional positions, and applies physically motivated prescriptions for star formation and feedback from Lyman-Werner (LW) radiation, hydrogen ionizing radiation, and external metal enrichment due to supernovae winds. This method is intended to complement analytic studies, which do not include clustering or individual merger histories, and hydrodynamical cosmological simulations, which include detailed physics, but are computationally expensive and have limited dynamic range. Utilizing this technique, we compute the cumulative Pop III and metal-enriched star formation rate density (SFRD) as a function of redshift at z ≥ 20. We find that varying the model parameters leads to significant qualitative changes in the global star formation history. The Pop III star formation efficiency and the delay time between Pop III and subsequent metal-enriched star formation are found to have the largest impact. The effect of clustering (i.e. including the three-dimensional positions of individual halos) on various feedback mechanisms is also investigated. The impact of clustering on LW and ionization feedback is found to be relatively mild in our fiducial model, but can be larger if external metal enrichment can promote metal-enriched star formation over large distances.

  16. A model for time-dependent cosmological constant and its consistency with the present Friedmann universe

    Energy Technology Data Exchange (ETDEWEB)

    Novello, M [Centro Brasileiro de Pesquisas Fisicas, Rua Dr Xavier Sigaud 150, Urca 22290-180 Rio de Janeiro, RJ (Brazil); Barcelos-Neto, J [Instituto de Fisica, Universidade Federal do Rio de Janeiro, RJ (Brazil); Salim, J M [Centro Brasileiro de Pesquisas Fisicas, Rua Dr Xavier Sigaud 150, Urca 22290-180 Rio de Janeiro, RJ (Brazil)

    2002-06-07

    We use a model where the cosmological term can be related to the chiral gauge anomaly of a possible quantum scenario of the initial evolution of the universe. We show that this term is compatible with the Friedmann behaviour of the present universe.

  17. Self-consistent semi-analytic models of the first stars

    Science.gov (United States)

    Visbal, Eli; Haiman, Zoltán; Bryan, Greg L.

    2018-04-01

    We have developed a semi-analytic framework to model the large-scale evolution of the first Population III (Pop III) stars and the transition to metal-enriched star formation. Our model follows dark matter haloes from cosmological N-body simulations, utilizing their individual merger histories and three-dimensional positions, and applies physically motivated prescriptions for star formation and feedback from Lyman-Werner (LW) radiation, hydrogen ionizing radiation, and external metal enrichment due to supernovae winds. This method is intended to complement analytic studies, which do not include clustering or individual merger histories, and hydrodynamical cosmological simulations, which include detailed physics, but are computationally expensive and have limited dynamic range. Utilizing this technique, we compute the cumulative Pop III and metal-enriched star formation rate density (SFRD) as a function of redshift at z ≥ 20. We find that varying the model parameters leads to significant qualitative changes in the global star formation history. The Pop III star formation efficiency and the delay time between Pop III and subsequent metal-enriched star formation are found to have the largest impact. The effect of clustering (i.e. including the three-dimensional positions of individual haloes) on various feedback mechanisms is also investigated. The impact of clustering on LW and ionization feedback is found to be relatively mild in our fiducial model, but can be larger if external metal enrichment can promote metal-enriched star formation over large distances.

  18. A self-consistent model for the Galactic cosmic ray, antiproton and positron spectra

    CERN Multimedia

    CERN. Geneva

    2015-01-01

    In this talk I will present the escape model of Galactic cosmic rays. This model explains the measured cosmic ray spectra of individual groups of nuclei from TeV to EeV energies. It predicts an early transition to extragalactic cosmic rays, in agreement with recent Auger data. The escape model also explains the soft neutrino spectrum 1/E^2.5 found by IceCube in concordance with Fermi gamma-ray data. I will show that within the same model one can explain the excess of positrons and antiprotons above 20 GeV found by PAMELA and AMS-02, the discrepancy in the slopes of the spectra of cosmic ray protons and heavier nuclei in the TeV-PeV energy range and the plateau in cosmic ray dipole anisotropy in the 2-50 TeV energy range by adding the effects of a 2 million year old nearby supernova.

  19. Application of a Mass-Consistent Wind Model to Chinook Windstorms

    Science.gov (United States)

    1988-06-01

    Meteor., 6, 837--344. Endlich, R. M., F. L. Ludwig, C. M. Bhunralkar, and M. A. Estoque , 1380: A practical method for estimating wind character34szics at...Project 8349, Menlo Park, CA. 94025. Endlich, R. M., F. L. Ludwig, C. M. Bhunralkar, and M. A. Estoque , 1982: A diagnostic model for estimating winds

  20. Consistent stress-strain ductile fracture model as applied to two grades of beryllium

    International Nuclear Information System (INIS)

    Priddy, T.G.; Benzley, S.E.; Ford, L.M.

    1980-01-01

    Published yield and ultimate biaxial stress and strain data for two grades of beryllium are correlated with a more complete method of characterizing macroscopic strain at fracture initiation in ductile materials. Results are compared with those obtained from an exponential, mean stress dependent, model. Simple statistical methods are employed to illustrate the degree of correlation for each method with the experimental data

  1. Chemo-mechanical model of biological membranes for actuation mechanisms

    Science.gov (United States)

    Sundaresan, Vishnu-Baba; Leo, Donald J.

    2005-05-01

    Plants have the ability to develop large mechanical force from chemical energy available with bio-fuels. The energy released by ATP hydrolysis assists the transport of ions and fluids to achieve volumetric expansion and homeostasis. Materials that develop pressure and hence strain similar to bio-materials are classified as nastic materials. Recent calculations for controlled actuation of an active material inspired by biological transport mechanism demonstrated the feasibility of developing such a material with actuation energy densities on the order of 100 kJ/m3. Our initial investigation was based on capsules that generate pressure thus causing strain in the surrounding matrix material. Our present work focuses on our efforts to fabricate a representative actuation structure and describes the chemo-mechanical constitutive equation for such a material. The actuator considered in this work is a laminated arrangement of a hydraulic actuator plate with microscopic barrels and a fluid reservoir kept separated by a semi-permeable membrane dispersed with biological transporters. We present here our initial design and a mathematical model to predict the fluid flux and strain developed in such an actuator.

  2. Thermodynamically consistent modeling and simulation of multi-component two-phase flow with partial miscibility

    KAUST Repository

    Kou, Jisheng

    2017-12-09

    A general diffuse interface model with a realistic equation of state (e.g. Peng-Robinson equation of state) is proposed to describe the multi-component two-phase fluid flow based on the principles of the NVT-based framework which is an attractive alternative recently over the NPT-based framework to model the realistic fluids. The proposed model uses the Helmholtz free energy rather than Gibbs free energy in the NPT-based framework. Different from the classical routines, we combine the first law of thermodynamics and related thermodynamical relations to derive the entropy balance equation, and then we derive a transport equation of the Helmholtz free energy density. Furthermore, by using the second law of thermodynamics, we derive a set of unified equations for both interfaces and bulk phases that can describe the partial miscibility of multiple fluids. A relation between the pressure gradient and chemical potential gradients is established, and this relation leads to a new formulation of the momentum balance equation, which demonstrates that chemical potential gradients become the primary driving force of fluid motion. Moreover, we prove that the proposed model satisfies the total (free) energy dissipation with time. For numerical simulation of the proposed model, the key difficulties result from the strong nonlinearity of Helmholtz free energy density and tight coupling relations between molar densities and velocity. To resolve these problems, we propose a novel convex-concave splitting of Helmholtz free energy density and deal well with the coupling relations between molar densities and velocity through very careful physical observations with a mathematical rigor. We prove that the proposed numerical scheme can preserve the discrete (free) energy dissipation. Numerical tests are carried out to verify the effectiveness of the proposed method.

  3. Consistency of Earth Radiation Budget Experiment bidirectional models and the observed anisotropy of reflected sunlight

    Energy Technology Data Exchange (ETDEWEB)

    Baldwin, D.G. (Univ. of Colorado, Boulder (USA)); Coakley, J.A. (Oregon State Univ., Corvallis (USA))

    1991-03-20

    The Earth Radiation Budget Experiment (ERBE) uses bidirectional models to estimate radiative fluxes from observed radiances. The anisotropy of the radiance field derived from these models is compared with that observed with the ERBE scanner on the Earth Radiation Budget Satellite (ERBS). The bidirectional models used by ERBE were derived from NIMBUS 7 Earth radiation budget (ERB) scanner observations. Because of probable differences in the radiometric calibrations of the ERB and ERBE scanners and because of differences in their field of view sizes, the authors expect to find systematic differences of a few percent between the NIMBUS 7 ERB-derived radiation field anisotropy and the ERBS scanner-observed anisotropy. The differences expected are small compared with the variability of the anisotropy which arises from the variability in cloud cover allowed to occur within the individual scene types. By averaging over groups of 40 ERBE scanner scan lines (equivalent to an average over approximately 2,000 km) for a period of a month, they detect significant differences between the modeled and observed anisotropy for particular scene types and Sun-Earth-satellite viewing geometries. For a typical 2.5{degree} latitude-longitude region these differences give rise to a bias in the radiative flux that is at least 0.3% for the monthly mean and an rms error that is at least 4% for instantaneous observations. By comparing the fluxes derived using the observed anisotropy with those derived assuming isotropic reflection, they conclude that a reasonable estimate for the maximum error due to the use of incorrect bidirectional models is a bias of approximately 4% for a typical 2.5{degree} latitude-longitude, monthly mean and an rms error of 15%.

  4. Theoretical modeling and experimental validation of transport and separation properties of carbon nanotube electrospun membrane distillation

    KAUST Repository

    Lee, Jung Gil

    2016-12-27

    Developing a high flux and selective membrane is required to make membrane distillation (MD) a more attractive desalination process. Amongst other characteristics membrane hydrophobicity is significantly important to get high vapor transport and low wettability. In this study, a laboratory fabricated carbon nanotubes (CNTs) composite electrospun (E-CNT) membrane was tested and has showed a higher permeate flux compared to poly(vinylidene fluoride-co-hexafluoropropylene) (PH) electrospun membrane (E-PH membrane) in a direct contact MD (DCMD) configuration. Only 1% and 2% of CNTs incorporation resulted in an enhanced permeate flux with lower sensitivity to feed salinity while treating a 35 and 70 g/L NaCl solutions. Experimental results and the mechanisms of E-CNT membrane were validated by a proposed new step-modeling approach. The increased vapor transport in E-CNT membranes could not be elucidated by an enhancement of mass transfer only at a given physico-chemical properties. However, the theoretical modeling approach considering the heat and mass transfers simultaneously enabled to explain successfully the enhanced flux in the DCMD process using E-CNT membranes. This indicates that both mass and heat transfers improved by CNTs are attributed to the enhanced vapor transport in the E-CNT membrane.

  5. Self-Consistent 3D Modeling of Electron Cloud Dynamics and Beam Response

    International Nuclear Information System (INIS)

    Furman, Miguel; Furman, M.A.; Celata, C.M.; Kireeff-Covo, M.; Sonnad, K.G.; Vay, J.-L.; Venturini, M.; Cohen, R.; Friedman, A.; Grote, D.; Molvik, A.; Stoltz, P.

    2007-01-01

    We present recent advances in the modeling of beam electron-cloud dynamics, including surface effects such as secondary electron emission, gas desorption, etc, and volumetric effects such as ionization of residual gas and charge-exchange reactions. Simulations for the HCX facility with the code WARP/POSINST will be described and their validity demonstrated by benchmarks against measurements. The code models a wide range of physical processes and uses a number of novel techniques, including a large-timestep electron mover that smoothly interpolates between direct orbit calculation and guiding-center drift equations, and a new computational technique, based on a Lorentz transformation to a moving frame, that allows the cost of a fully 3D simulation to be reduced to that of a quasi-static approximation

  6. A self-consistent LTE model of a microwave-driven, high-pressure sulfur lamp

    Energy Technology Data Exchange (ETDEWEB)

    Johnston, C.W.; Mullen, J.J.A.M. van der [Department of Applied Physics, Eindhoven University of Technology (Netherlands)]. E-mails: C.W.Johnston@tue.nl; J.J.A.M.v.d.Mullen@tue.nl; Heijden, H.W.P. van der; Janssen, G.M.; Dijk, J. van [Department of Applied Physics, Eindhoven University of Technology (Netherlands)

    2002-02-21

    A one-dimensional LTE model of a microwave-driven sulfur lamp is presented to aid our understanding of the discharge. The energy balance of the lamp is determined by Ohmic input on one hand and transport due to conductive heat transfer and molecular radiation on the other. We discuss the origin of operational trends in the spectrum, present the model and discuss how the material properties of the plasma are determined. Not only are temperature profiles and electric field strengths simulated but also the spectrum of the lamp from 300 to 900 nm under various conditions of input power and lamp filling pressure. We show that simulated spectra demonstrate observed trends and that radiated power increases linearly with input power as is also found from experiment. (author)

  7. Self-consisting modeling of entangled network strands and dangling ends

    DEFF Research Database (Denmark)

    Jensen, Mette Krog; Schieber, Jay D.; Khaliullin, Renat N.

    2009-01-01

    Text of Abstract We seek knowledge about the effect of dangling ends and soluble structures of stoichiometrically imbalanced networks. To interpretate our recent experimental results we seek a molecular model that can predict LVE data. The discrete slip-link model (DSM) has proven to be a robust......, we call this an ideal entangled network (IEN). We simulate monodisperse polypropylene oxide with an average number of entanglements of ~3.8. Such lightly entangled networks show a G0 that is about 24% lower than GN0. This decrease is a result of monomer fluctuations between entanglements...... of dangling ends and soluble structures. Energy dissipation is increased by adding a fraction of dangling ends, wDE, to the ensemble. We find that when wDE=0.6, G0 is about 75% lower than GN0, this suggests that the fraction of network strands, wNS=1-wDE, largely influences the plateau value at low...

  8. Flood damage: a model for consistent, complete and multipurpose scenarios

    Directory of Open Access Journals (Sweden)

    S. Menoni

    2016-12-01

    implemented in ex post damage assessments, also with the objective of better programming financial resources that will be needed for these types of events in the future. On the other hand, integrated interpretations of flood events are fundamental to adapting and optimizing flood mitigation strategies on the basis of thorough forensic investigation of each event, as corroborated by the implementation of the model in a case study.

  9. A Mind/Brain/Matter Model Consistent with Quantum Physics and UFO phenomena

    Science.gov (United States)

    1979-01-01

    realities of a second type (E.P. Wigr, ,.’ "Two Kinds of Reality," The Monist , Vol. 48, No. 2, April 1964). Note that the modei -eing c dvanced by the...biological organism, including egos of "dead" biosystems. Note also that the wave-packet reduction (collapse of the wave function) is not a relativistically ...new fourth law of logic, which is briefly described and summarized. A new photon interaction model. of quantized observable changc is also presented

  10. A nonlinear mechanics model of bio-inspired hierarchical lattice materials consisting of horseshoe microstructures.

    Science.gov (United States)

    Ma, Qiang; Cheng, Huanyu; Jang, Kyung-In; Luan, Haiwen; Hwang, Keh-Chih; Rogers, John A; Huang, Yonggang; Zhang, Yihui

    2016-05-01

    Development of advanced synthetic materials that can mimic the mechanical properties of non-mineralized soft biological materials has important implications in a wide range of technologies. Hierarchical lattice materials constructed with horseshoe microstructures belong to this class of bio-inspired synthetic materials, where the mechanical responses can be tailored to match the nonlinear J-shaped stress-strain curves of human skins. The underlying relations between the J-shaped stress-strain curves and their microstructure geometry are essential in designing such systems for targeted applications. Here, a theoretical model of this type of hierarchical lattice material is developed by combining a finite deformation constitutive relation of the building block (i.e., horseshoe microstructure), with the analyses of equilibrium and deformation compatibility in the periodical lattices. The nonlinear J-shaped stress-strain curves and Poisson ratios predicted by this model agree very well with results of finite element analyses (FEA) and experiment. Based on this model, analytic solutions were obtained for some key mechanical quantities, e.g., elastic modulus, Poisson ratio, peak modulus, and critical strain around which the tangent modulus increases rapidly. A negative Poisson effect is revealed in the hierarchical lattice with triangular topology, as opposed to a positive Poisson effect in hierarchical lattices with Kagome and honeycomb topologies. The lattice topology is also found to have a strong influence on the stress-strain curve. For the three isotropic lattice topologies (triangular, Kagome and honeycomb), the hierarchical triangular lattice material renders the sharpest transition in the stress-strain curve and relative high stretchability, given the same porosity and arc angle of horseshoe microstructure. Furthermore, a demonstrative example illustrates the utility of the developed model in the rapid optimization of hierarchical lattice materials for

  11. A consistent model for leptogenesis, dark matter and the IceCube signal

    Energy Technology Data Exchange (ETDEWEB)

    Fiorentin, M. Re [School of Physics and Astronomy, University of Southampton,SO17 1BJ Southampton (United Kingdom); Niro, V. [Departamento de Física Teórica, Universidad Autónoma de Madrid,Cantoblanco, E-28049 Madrid (Spain); Instituto de Física Teórica UAM/CSIC,Calle Nicolás Cabrera 13-15, Cantoblanco, E-28049 Madrid (Spain); Fornengo, N. [Dipartimento di Fisica, Università di Torino,via P. Giuria, 1, 10125 Torino (Italy); Istituto Nazionale di Fisica Nucleare, Sezione di Torino,via P. Giuria, 1, 10125 Torino (Italy)

    2016-11-04

    We discuss a left-right symmetric extension of the Standard Model in which the three additional right-handed neutrinos play a central role in explaining the baryon asymmetry of the Universe, the dark matter abundance and the ultra energetic signal detected by the IceCube experiment. The energy spectrum and neutrino flux measured by IceCube are ascribed to the decays of the lightest right-handed neutrino N{sub 1}, thus fixing its mass and lifetime, while the production of N{sub 1} in the primordial thermal bath occurs via a freeze-in mechanism driven by the additional SU(2){sub R} interactions. The constraints imposed by IceCube and the dark matter abundance allow nonetheless the heavier right-handed neutrinos to realize a standard type-I seesaw leptogenesis, with the B−L asymmetry dominantly produced by the next-to-lightest neutrino N{sub 2}. Further consequences and predictions of the model are that: the N{sub 1} production implies a specific power-law relation between the reheating temperature of the Universe and the vacuum expectation value of the SU(2){sub R} triplet; leptogenesis imposes a lower bound on the reheating temperature of the Universe at 7×10{sup 9} GeV. Additionally, the model requires a vanishing absolute neutrino mass scale m{sub 1}≃0.

  12. Demonstration of a geostatistical approach to physically consistent downscaling of climate modeling simulations

    KAUST Repository

    Jha, Sanjeev Kumar

    2013-01-01

    A downscaling approach based on multiple-point geostatistics (MPS) is presented. The key concept underlying MPS is to sample spatial patterns from within training images, which can then be used in characterizing the relationship between different variables across multiple scales. The approach is used here to downscale climate variables including skin surface temperature (TSK), soil moisture (SMOIS), and latent heat flux (LH). The performance of the approach is assessed by applying it to data derived from a regional climate model of the Murray-Darling basin in southeast Australia, using model outputs at two spatial resolutions of 50 and 10 km. The data used in this study cover the period from 1985 to 2006, with 1985 to 2005 used for generating the training images that define the relationships of the variables across the different spatial scales. Subsequently, the spatial distributions for the variables in the year 2006 are determined at 10 km resolution using the 50 km resolution data as input. The MPS geostatistical downscaling approach reproduces the spatial distribution of TSK, SMOIS, and LH at 10 km resolution with the correct spatial patterns over different seasons, while providing uncertainty estimates through the use of multiple realizations. The technique has the potential to not only bridge issues of spatial resolution in regional and global climate model simulations but also in feature sharpening in remote sensing applications through image fusion, filling gaps in spatial data, evaluating downscaled variables with available remote sensing images, and aggregating/disaggregating hydrological and groundwater variables for catchment studies.

  13. Consistent negative response of US crops to high temperatures in observations and crop models

    Science.gov (United States)

    Schauberger, Bernhard; Archontoulis, Sotirios; Arneth, Almut; Balkovic, Juraj; Ciais, Philippe; Deryng, Delphine; Elliott, Joshua; Folberth, Christian; Khabarov, Nikolay; Müller, Christoph; Pugh, Thomas A. M.; Rolinski, Susanne; Schaphoff, Sibyll; Schmid, Erwin; Wang, Xuhui; Schlenker, Wolfram; Frieler, Katja

    2017-04-01

    High temperatures are detrimental to crop yields and could lead to global warming-driven reductions in agricultural productivity. To assess future threats, the majority of studies used process-based crop models, but their ability to represent effects of high temperature has been questioned. Here we show that an ensemble of nine crop models reproduces the observed average temperature responses of US maize, soybean and wheat yields. Each day above 30°C diminishes maize and soybean yields by up to 6% under rainfed conditions. Declines observed in irrigated areas, or simulated assuming full irrigation, are weak. This supports the hypothesis that water stress induced by high temperatures causes the decline. For wheat a negative response to high temperature is neither observed nor simulated under historical conditions, since critical temperatures are rarely exceeded during the growing season. In the future, yields are modelled to decline for all three crops at temperatures above 30°C. Elevated CO2 can only weakly reduce these yield losses, in contrast to irrigation.

  14. Pore-scale modeling and simulation of flow, transport, and adsorptive or osmotic effects in membranes: the influence of membrane microstructure

    KAUST Repository

    Calo, Victor M.

    2015-07-17

    The selection of an appropriate membrane for a particular application is a complex and expensive process. Computational modeling can significantly aid membrane researchers and manufacturers in this process. The membrane morphology is highly influential on its efficiency within several applications, but is often overlooked in simulation. Two such applications which are very important in the provision of clean water are forward osmosis and filtration using functionalized micro/ultra/nano-filtration membranes. Herein, we investigate the effect of the membrane morphology in these two applications. First we present results of the separation process using resolved finger- and sponge-like support layers. Second, we represent the functionalization of a typical microfiltration membrane using absorptive pore walls, and illustrate the effect of different microstructures on the reactive process. Such numerical modeling will aid manufacturers in optimizing operating conditions and designing efficient membranes.

  15. Observable signatures of wind--driven chemistry with a fully consistent three dimensional radiative hydrodynamics model of HD 209458b

    OpenAIRE

    Drummond, Benjamin; Mayne, N. J.; Manners, James; Carter, Aarynn L.; Boutle, Ian A.; Baraffe, Isabelle; Hebrard, Eric; Tremblin, Pascal; Sing, David K.; Amundsen, David S.; Acreman, Dave

    2018-01-01

    We present a study of the effect of wind-driven advection on the chemical composition of hot Jupiter atmospheres using a fully-consistent 3D hydrodynamics, chemistry and radiative transfer code, the Met Office Unified Model (UM). Chemical modelling of exoplanet atmospheres has primarily been restricted to 1D models that cannot account for 3D dynamical processes. In this work we couple a chemical relaxation scheme to the UM to account for the chemical interconversion of methane and carbon mono...

  16. Multiscale Modeling of Polymer Membranes for Soldiers Protective Clothing

    National Research Council Canada - National Science Library

    Andzelm, Jan; Sloan, James; Napadensky, Eugene; Beyer, Rick; Snyder, James; McKnight, Steven; Chung, Peter W

    2006-01-01

    .... These simulations lead to the prediction of the architecture and morphology of the membrane. We have also studied mesoscale morphology of the copolymer constrained by a surface or the nanopore...

  17. Spectropolarimetric forward modelling of the lines of the Lyman-series using a self-consistent, global, solar coronal model

    Science.gov (United States)

    Khan, A.; Belluzzi, L.; Landi Degl'Innocenti, E.; Fineschi, S.; Romoli, M.

    2011-05-01

    Context. The presence and importance of the coronal magnetic field is illustrated by a wide range of phenomena, such as the abnormally high temperatures of the coronal plasma, the existence of a slow and fast solar wind, the triggering of explosive events such as flares and CMEs. Aims: We investigate the possibility of using the Hanle effect to diagnose the coronal magnetic field by analysing its influence on the linear polarisation, i.e. the rotation of the plane of polarisation and depolarisation. Methods: We analyse the polarisation characteristics of the first three lines of the hydrogen Lyman-series using an axisymmetric, self-consistent, minimum-corona MHD model with relatively low values of the magnetic field (a few Gauss). Results: We find that the Hanle effect in the above-mentioned lines indeed seems to be a valuable tool for analysing the coronal magnetic field. However, great care must be taken when analysing the spectropolarimetry of the Lα line, given that a non-radial solar wind and active regions on the solar disk can mimic the effects of the magnetic field, and, in some cases, even mask them. Similar drawbacks are not found for the Lβ and Lγ lines because they are more sensitive to the magnetic field. We also briefly consider the instrumental requirements needed to perform polarimetric observations for diagnosing the coronal magnetic fields. Conclusions: The combined analysis of the three aforementioned lines could provide an important step towards better constrainting the value of solar coronal magnetic fields.

  18. A Sound Processor for Cochlear Implant Using a Simple Dual Path Nonlinear Model of Basilar Membrane

    OpenAIRE

    Kim, Kyung Hwan; Choi, Sung Jin; Kim, Jin Ho

    2013-01-01

    We propose a new active nonlinear model of the frequency response of the basilar membrane in biological cochlea called the simple dual path nonlinear (SDPN) model and a novel sound processing strategy for cochlear implants (CIs) based upon this model. The SDPN model was developed to utilize the advantages of the level-dependent frequency response characteristics of the basilar membrane for robust formant representation under noisy conditions. In comparison to the dual resonance nonlinear mode...

  19. Experimental Support for a Predictive Osmotic Model of Clay Membranes

    International Nuclear Information System (INIS)

    Fritz, S.J.

    2001-01-01

    Osmosis has been cited as a mechanism for explaining anomalously high fluid pressures in the subsurface. Clays and shales act as membranes, and osmotic flux across these units may result in pressures sufficiently high to explain these anomalies. The theoretical osmotic pressures as calculated solely from solution properties can be quite large; however, it is not yet resolved whether these geologic membranes are sufficiently ideal to generate such pressures

  20. Binding dynamics of hepatitis C virus' NS5A amphipathic peptide to cell and model membranes.

    Science.gov (United States)

    Cho, Nam-Joon; Cheong, Kwang Ho; Lee, ChoongHo; Frank, Curtis W; Glenn, Jeffrey S

    2007-06-01

    Membrane association of the hepatitis C virus NS5A protein is required for viral replication. This association is dependent on an N-terminal amphipathic helix (AH) within NS5A and is restricted to a subset of host cell intracellular membranes. The mechanism underlying this specificity is not known, but it may suggest a novel strategy for developing specific antiviral therapy. Here we have probed the mechanistic details of NS5A AH-mediated binding to both cell-derived and model membranes by use of biochemical membrane flotation and quartz crystal microbalance (QCM) with dissipation. With both assays, we observed AH-mediated binding to model lipid bilayers. When cell-derived membranes were coated on the quartz nanosensor, however, significantly more binding was detected, and the QCM-derived kinetic measurements suggested the existence of an interacting receptor in the target membranes. Biochemical flotation assays performed with trypsin-treated cell-derived membranes exhibited reduced AH-mediated membrane binding, while membrane binding of control cytochrome b5 remained unaffected. Similarly, trypsin treatment of the nanosensor coated with cellular membranes abolished AH peptide binding to the cellular membranes but did not affect the binding of a control lipid-binding peptide. These results therefore suggest that a protein plays a critical role in mediating and stabilizing the binding of NS5A's AH to its target membrane. These results also demonstrate the successful development of a new nanosensor technology ideal both for studying the interaction between a protein and its target membrane and for developing inhibitors of that interaction.

  1. CFD modelling of a membrane reactor for hydrogen production from ammonia

    Science.gov (United States)

    Shwe Hla, San; Dolan, Michael D.

    2018-01-01

    Despite the growing use of hydrogen (H2) as a transport fuel, one of the major barriers still remaining is efficient and inexpensive fuel distribution and storage. Current approaches, such as compression, liquefaction or metal hydride formation, incur a significant energy penalty. Ammonia (NH3) has long been considered a prospective H2 medium, exhibiting a higher volumetric H2 density than liquid H2, through liquid-phase storage at mild pressure. Decomposition of NH3 into H2 and N2 can be achieved via use of catalytic reactors and fuel-cell-grade H2 can be produced using metal membranes at H2 distribution sites.In this study, a 3-Dimensional (3D) Computational Fluid Dynamics (CFD) model has been developed to understand the performance of the H2 separation process in gas mixtures derived from an NH3-cracking reaction. The reactor consists of 19 tubular membrane tubes, each 470 mm long, inside a tubular shell with an inner diameter of 130 mm. Standard transport and energy equations governing a 3D, pressure-based, steady-state model were derived from the laws of conservation of mass, momentum and energy. The governing equations were solved using commercial CFD software ANSYS Fluent 18.0. Gas flow and mixing were modelled by the two-equation standard k-epsilon model for closure. Coupled solver was used for pressure-velocity coupling, enabling a pseudo-transient option with pseudo time steps of 0.01 s. To estimate H2 permeation through the metal membrane, a constant H2 permeability of 3.0E-07 mol.m-1 s-1 Pa-0.5 derived from series of experiments tested under a range of industrial conditions, was used. Model simulations were conducted for an adiabatic temperature of 300 °C, a feed-side pressure of 7.8 bara and a permeate side pressure of 0.1 bara. A parametric analysis was carried out to explore the effects of variation in total feed-gas flow and effects of changes in NH3-cracking efficiency on H2 production rates and H2 yields. The model estimated that 4.6-11.6 kg H2

  2. Influence of chain rigidity on the conformation of model lipid membranes in the presence of cylindrical nanoparticle inclusions

    Science.gov (United States)

    Diloreto, Chris; Wickham, Robert

    2012-02-01

    We employ real-space self-consistent field theory to study the conformation of model lipid membranes in the presence of solvent and cylindrical nanoparticle inclusions (''peptides''). Whereas it is common to employ a polymeric Gaussian chain model for the lipids, here we model the lipids as persistent, worm-like chains. Our motivation is to develop a more realistic field theory to describe the action of pore-forming anti-microbial peptides that disrupt the bacterial cell membrane. We employ operator-splitting and a pseudo-spectral algorithm, using SpharmonicKit for the chain tangent degrees of freedom, to solve for the worm-like chain propagator. The peptides, modelled using a mask function, have a surface patterned with hydrophobic and hydrophillic patches, but no charge. We examine the role chain rigidity plays in the hydrophobic mismatch, the membrane-mediated interaction between two peptides, the size and structure of pores formed by peptide aggregates, and the free-energy barrier for peptide insertion into the membrane. Our results suggest that chain rigidity influences both the pore structure and the mechanism of pore formation.

  3. Self-consistent one-dimensional modelling of x-ray laser plasmas

    International Nuclear Information System (INIS)

    Wan, A.S.; Walling, R.S.; Scott, H.A.; Mayle, R.W.; Osterheld, A.L.

    1992-01-01

    This paper presents the simulation of a planar, one-dimensional expanding Ge x-ray laser plasma using a new code which combines hydrodynamics, laser absorption, and detailed level population calculations within the same simulation. Previously, these simulations were performed in separate steps. We will present the effect of line transfer on gains and excited level populations and compare the line transfer result with simulations using escape probabilities. We will also discuss the impact of different atomic models on the accuracy of our simulation

  4. Stretched-exponential decay functions from a self-consistent model of dielectric relaxation

    International Nuclear Information System (INIS)

    Milovanov, A.V.; Rasmussen, J.J.; Rypdal, K.

    2008-01-01

    There are many materials whose dielectric properties are described by a stretched exponential, the so-called Kohlrausch-Williams-Watts (KWW) relaxation function. Its physical origin and statistical-mechanical foundation have been a matter of debate in the literature. In this Letter we suggest a model of dielectric relaxation, which naturally leads to a stretched exponential decay function. Some essential characteristics of the underlying charge conduction mechanisms are considered. A kinetic description of the relaxation and charge transport processes is proposed in terms of equations with time-fractional derivatives

  5. A Single Neonatal Exposure to BMAA in a Rat Model Produces Neuropathology Consistent with Neurodegenerative Diseases

    Directory of Open Access Journals (Sweden)

    Laura Louise Scott

    2017-12-01

    Full Text Available Although cyanobacterial β-N-methylamino-l-alanine (BMAA has been implicated in the development of Alzheimer’s Disease (AD, Parkinson’s Disease (PD and Amyotrophic Lateral Sclerosis (ALS, no BMAA animal model has reproduced all the neuropathology typically associated with these neurodegenerative diseases. We present here a neonatal BMAA model that causes β-amyloid deposition, neurofibrillary tangles of hyper-phosphorylated tau, TDP-43 inclusions, Lewy bodies, microbleeds and microgliosis as well as severe neuronal loss in the hippocampus, striatum, substantia nigra pars compacta, and ventral horn of the spinal cord in rats following a single BMAA exposure. We also report here that BMAA exposure on particularly PND3, but also PND4 and 5, the critical period of neurogenesis in the rodent brain, is substantially more toxic than exposure to BMAA on G14, PND6, 7 and 10 which suggests that BMAA could potentially interfere with neonatal neurogenesis in rats. The observed selective toxicity of BMAA during neurogenesis and, in particular, the observed pattern of neuronal loss observed in BMAA-exposed rats suggest that BMAA elicits its effect by altering dopamine and/or serotonin signaling in rats.

  6. A Thermodynamically-consistent FBA-based Approach to Biogeochemical Reaction Modeling

    Science.gov (United States)

    Shapiro, B.; Jin, Q.

    2015-12-01

    Microbial rates are critical to understanding biogeochemical processes in natural environments. Recently, flux balance analysis (FBA) has been applied to predict microbial rates in aquifers and other settings. FBA is a genome-scale constraint-based modeling approach that computes metabolic rates and other phenotypes of microorganisms. This approach requires a prior knowledge of substrate uptake rates, which is not available for most natural microbes. Here we propose to constrain substrate uptake rates on the basis of microbial kinetics. Specifically, we calculate rates of respiration (and fermentation) using a revised Monod equation; this equation accounts for both the kinetics and thermodynamics of microbial catabolism. Substrate uptake rates are then computed from the rates of respiration, and applied to FBA to predict rates of microbial growth. We implemented this method by linking two software tools, PHREEQC and COBRA Toolbox. We applied this method to acetotrophic methanogenesis by Methanosarcina barkeri, and compared the simulation results to previous laboratory observations. The new method constrains acetate uptake by accounting for the kinetics and thermodynamics of methanogenesis, and predicted well the observations of previous experiments. In comparison, traditional methods of dynamic-FBA constrain acetate uptake on the basis of enzyme kinetics, and failed to reproduce the experimental results. These results show that microbial rate laws may provide a better constraint than enzyme kinetics for applying FBA to biogeochemical reaction modeling.

  7. A Model of Direct Contact Membrane Distillation of Black Currant Juice

    DEFF Research Database (Denmark)

    Jensen, Morten Busch; Christensen, Knud Villy; Andrésen, René

    2011-01-01

    A numerical model to describe a direct contact membrane distillation proces has been developed. Said model is based on the Dusty Gas model and shell mass and energy balances over a tubular membrane module.  "The solution is applicable to laminar, incompressible and continuous flow in shell......-side spacing of tubular-type unit."  Turtuosity and porosity are characteristics of the membrane in use and have been estimated base don eksperimental studies on destillation of pure water. The fitted model shows a good fit to experimental data obtained by destillation of black currant juice....

  8. Pervaporation separation of n-heptane/thiophene mixtures by polyethylene glycol membranes: Modeling and experimental.

    Science.gov (United States)

    Lin, Ligang; Zhang, Yuzhong; Kong, Ying

    2009-11-01

    Gasoline desulfurization by membrane processes is a newly emerged technology, which has provided an efficient new approach for sulfur removal and gained increasing attention of the membrane and petrochemical field. A deep understanding of the solution/diffusion of gasoline molecules on/in the membrane can provide helpful information in improving or optimizing membrane performance. In this study, a desulfurization mechanism of polyethylene glycol (PEG) membranes has been investigated by the study of sorption and diffusion behavior of typical sulfur and hydrocarbon species through PEG membranes. A solution-diffusion model based on UNIFAC and free volume theory has been established. Pervaporation (PV) and sorption experiments were conducted to compare with the model calculation results and to analyze the mass transport behavior. The dynamic sorption curves for pure components and the sorption experiments for binary mixtures showed that thiophene, which had a higher solubility coefficient than n-heptane, was the preferential sorption component, which is key in the separation of thiophene/hydrocarbon mixtures. In all cases, the model calculation results fit well the experimental data. The UNIFAC model was a sound way to predict the solubility of solvents in membranes. The established model can predict the removal of thiophene species from hydrocarbon compounds by PEG membranes effectively.

  9. Scale-Up Design Analysis and Modelling of Cobalt Oxide Silica Membrane Module for Hydrogen Processing

    Directory of Open Access Journals (Sweden)

    Guozhao Ji

    2013-08-01

    Full Text Available This work shows the application of a validated mathematical model for gas permeation at high temperatures focusing on demonstrated scale-up design for H2 processing. The model considered the driving force variation with spatial coordinates and the mass transfer across the molecular sieve cobalt oxide silica membrane to predict the separation performance. The model was used to study the process of H2 separation at 500 °C in single and multi-tube membrane modules. Parameters of interest included the H2 purity in the permeate stream, H2 recovery and H2 yield as a function of the membrane length, number of tubes in a membrane module, space velocity and H2 feed molar fraction. For a single tubular membrane, increasing the length of a membrane tube led to higher H2 yield and H2 recovery, owing to the increase of the membrane area. However, the H2 purity decreased as H2 fraction was depleted, thus reducing the driving force for H2 permeation. By keeping the membrane length constant in a multi-tube arrangement, the H2 yield and H2 recovery increase was attributed to the higher membrane area, but the H2 purity was again compromised. Increasing the space velocity avoided the reduction of H2 purity and still delivered higher H2 yield and H2 recovery than in a single membrane arrangement. Essentially, if the membrane surface is too large, the driving force becomes lower at the expense of H2 purity. In this case, the membrane module is over designed. Hence, maintaining a driving force is of utmost importance to deliver the functionality of process separation.

  10. 3D self-consistent modeling of a matrix source of negative hydrogen ions.

    Science.gov (United States)

    Tarnev, Kh; Demerdjiev, A; Shivarova, A; Lishev, St

    2016-02-01

    The paper is in the scope of studies on the rf driving of a matrix source of negative hydrogen ions: a matrix of small radius discharges with planar-coil inductive driving and single aperture extraction from each discharge. The results from a three-dimensional model, in which plasma description is coupled to electrodynamics, confirm former conclusion that a single coil driving of the whole matrix by a zigzag coil with an omega-shaped conductor on the bottom of each discharge tube ensures efficient rf power deposition to the plasma. The latter is due to similarities with the rf driving of a single discharge by a single planar coil, shown by the obtained induced current and spatial distribution of the plasma parameters. Distinctions associated with the coil configuration as a single coil for the whole matrix are also discussed.

  11. redGEM: Systematic reduction and analysis of genome-scale metabolic reconstructions for development of consistent core metabolic models.

    Directory of Open Access Journals (Sweden)

    Meric Ataman

    2017-07-01

    Full Text Available Genome-scale metabolic reconstructions have proven to be valuable resources in enhancing our understanding of metabolic networks as they encapsulate all known metabolic capabilities of the organisms from genes to proteins to their functions. However the complexity of these large metabolic networks often hinders their utility in various practical applications. Although reduced models are commonly used for modeling and in integrating experimental data, they are often inconsistent across different studies and laboratories due to different criteria and detail, which can compromise transferability of the findings and also integration of experimental data from different groups. In this study, we have developed a systematic semi-automatic approach to reduce genome-scale models into core models in a consistent and logical manner focusing on the central metabolism or subsystems of interest. The method minimizes the loss of information using an approach that combines graph-based search and optimization methods. The resulting core models are shown to be able to capture key properties of the genome-scale models and preserve consistency in terms of biomass and by-product yields, flux and concentration variability and gene essentiality. The development of these "consistently-reduced" models will help to clarify and facilitate integration of different experimental data to draw new understanding that can be directly extendable to genome-scale models.

  12. Physicochemical stability, microrheological properties and microstructure of lutein emulsions stabilized by multilayer membranes consisting of whey protein isolate, flaxseed gum and chitosan.

    Science.gov (United States)

    Xu, Duoxia; Aihemaiti, Zulipiya; Cao, Yanping; Teng, Chao; Li, Xiuting

    2016-07-01

    The impact of chitosan (CTS) on the physicochemical stability, microrheological property and microstructure of whey protein isolate (WPI)-flaxseed gum (FG) stabilized lutein emulsions at pH 3.0 was studied. A layer-by-layer electrostatic deposition method was used to prepare multilayered lutein emulsions. Droplet size, zeta-potential, instability index, microstructure and microrheological behavior of lutein emulsions were measured. The influences of interfacial layer, metal chelator and free radical scavenger on the chemical stability of lutein emulsions were also investigated. It was found that multilayer emulsions had better physical stability showing the pronounced effect of 1wt% CTS. The mean square displacement analysis demonstrated that CTS led to increases of macroscopic viscosity and elasticity index for WPI-FG stabilized lutein emulsions due to CTS embedding in the network. CTS also helped to chemically stabilize the lutein emulsions against degradation. The combination of interfacial membrane and prooxidative metal chelator or free radical scavenger was an effective method to control lutein degradation. Copyright © 2016 Elsevier Ltd. All rights reserved.

  13. Particle-based membrane model for mesoscopic simulation of cellular dynamics

    Science.gov (United States)

    Sadeghi, Mohsen; Weikl, Thomas R.; Noé, Frank

    2018-01-01

    We present a simple and computationally efficient coarse-grained and solvent-free model for simulating lipid bilayer membranes. In order to be used in concert with particle-based reaction-diffusion simulations, the model is purely based on interacting and reacting particles, each representing a coarse patch of a lipid monolayer. Particle interactions include nearest-neighbor bond-stretching and angle-bending and are parameterized so as to reproduce the local membrane mechanics given by the Helfrich energy density over a range of relevant curvatures. In-plane fluidity is implemented with Monte Carlo bond-flipping moves. The physical accuracy of the model is verified by five tests: (i) Power spectrum analysis of equilibrium thermal undulations is used to verify that the particle-based representation correctly captures the dynamics predicted by the continuum model of fluid membranes. (ii) It is verified that the input bending stiffness, against which the potential parameters are optimized, is accurately recovered. (iii) Isothermal area compressibility modulus of the membrane is calculated and is shown to be tunable to reproduce available values for different lipid bilayers, independent of the bending rigidity. (iv) Simulation of two-dimensional shear flow under a gravity force is employed to measure the effective in-plane viscosity of the membrane model and show the possibility of modeling membranes with specified viscosities. (v) Interaction of the bilayer membrane with a spherical nanoparticle is modeled as a test case for large membrane deformations and budding involved in cellular processes such as endocytosis. The results are shown to coincide well with the predicted behavior of continuum models, and the membrane model successfully mimics the expected budding behavior. We expect our model to be of high practical usability for ultra coarse-grained molecular dynamics or particle-based reaction-diffusion simulations of biological systems.

  14. Interface Consistency

    DEFF Research Database (Denmark)

    Staunstrup, Jørgen

    1998-01-01

    This paper proposes that Interface Consistency is an important issue for the development of modular designs. Byproviding a precise specification of component interfaces it becomes possible to check that separately developedcomponents use a common interface in a coherent matter thus avoiding a very...... significant source of design errors. Awide range of interface specifications are possible, the simplest form is a syntactical check of parameter types.However, today it is possible to do more sophisticated forms involving semantic checks....

  15. Model of fission yeast cell shape driven by membrane-bound growth factors and the cytoskeleton.

    Directory of Open Access Journals (Sweden)

    Tyler Drake

    Full Text Available Fission yeast serves as a model for how cellular polarization machinery consisting of signaling molecules and the actin and microtubule cytoskeleton regulates cell shape. In this work, we develop mathematical models to investigate how these cells maintain a tubular shape of approximately constant diameter. Many studies identify active Cdc42, found in a cap at the inner membrane of growing cell tips, as an important regulator of local cell wall remodeling, likely through control of exocyst tethering and the targeting of other polarity-enhancing structures. First, we show that a computational model with Cdc42-dependent local cell wall remodeling under turgor pressure predicts a relationship between spatial extent of growth signal and cell diameter that is in agreement with prior experiments. Second, we model the consequences of feedback between cell shape and distribution of Cdc42 growth signal at cell tips. We show that stability of cell diameter over successive cell divisions places restrictions on their mutual dependence. We argue that simple models where the spatial extent of the tip growth signal relies solely on geometrical alignment of confined microtubules might lead to unstable width regulation. Third, we study a computational model that combines a growth signal distributed over a characteristic length scale (as, for example, by a reaction-diffusion mechanism with an axis-sensing microtubules system that places landmarks at positions where microtubule tips touch the cortex. A two-dimensional implementation of this model leads to stable cell diameter for a wide range of parameters. Changes to the parameters of this model reproduce straight, bent, and bulged cell shapes, and we discuss how this model is consistent with other observed cell shapes in mutants. Our work provides an initial quantitative framework for understanding the regulation of cell shape in fission yeast, and a scaffold for understanding this process on a more molecular

  16. (CryoTransmission Electron Microscopy of Phospholipid Model Membranes Interacting with Amphiphilic and Polyphilic Molecules

    Directory of Open Access Journals (Sweden)

    Annette Meister

    2017-10-01

    Full Text Available Lipid membranes can incorporate amphiphilic or polyphilic molecules leading to specific functionalities and to adaptable properties of the lipid bilayer host. The insertion of guest molecules into membranes frequently induces changes in the shape of the lipid matrix that can be visualized by transmission electron microscopy (TEM techniques. Here, we review the use of stained and vitrified specimens in (cryoTEM to characterize the morphology of amphiphilic and polyphilic molecules upon insertion into phospholipid model membranes. Special emphasis is placed on the impact of novel synthetic amphiphilic and polyphilic bolalipids and polymers on membrane integrity and shape stability.

  17. Complementarity of DM searches in a consistent simplified model: the case of Z{sup ′}

    Energy Technology Data Exchange (ETDEWEB)

    Jacques, Thomas [SISSA and INFN,via Bonomea 265, 34136 Trieste (Italy); Katz, Andrey [Theory Division, CERN,CH-1211 Geneva 23 (Switzerland); Département de Physique Théorique and Center for Astroparticle Physics (CAP),Université de Genève, 24 quai Ansermet, CH-1211 Genève 4 (Switzerland); Morgante, Enrico; Racco, Davide [Département de Physique Théorique and Center for Astroparticle Physics (CAP),Université de Genève, 24 quai Ansermet, CH-1211 Genève 4 (Switzerland); Rameez, Mohamed [Département de Physique Nucléaire et Corpusculaire,Université de Genève, 24 quai Ansermet, CH-1211 Genève 4 (Switzerland); Riotto, Antonio [Département de Physique Théorique and Center for Astroparticle Physics (CAP),Université de Genève, 24 quai Ansermet, CH-1211 Genève 4 (Switzerland)

    2016-10-14

    We analyze the constraints from direct and indirect detection on fermionic Majorana Dark Matter (DM). Because the interaction with the Standard Model (SM) particles is spin-dependent, a priori the constraints that one gets from neutrino telescopes, the LHC, direct and indirect detection experiments are comparable. We study the complementarity of these searches in a particular example, in which a heavy Z{sup ′} mediates the interactions between the SM and the DM. We find that for heavy dark matter indirect detection provides the strongest bounds on this scenario, while IceCube bounds are typically stronger than those from direct detection. The LHC constraints are dominant for smaller dark matter masses. These light masses are less motivated by thermal relic abundance considerations. We show that the dominant annihilation channels of the light DM in the Sun and the Galactic Center are either bb̄ or tt̄, while the heavy DM annihilation is completely dominated by Zh channel. The latter produces a hard neutrino spectrum which has not been previously analyzed. We study the neutrino spectrum yielded by DM and recast IceCube constraints to allow proper comparison with constraints from direct and indirect detection experiments and LHC exclusions.

  18. Complementarity of DM Searches in a Consistent Simplified Model: the Case of Z'

    CERN Document Server

    Jacques, Thomas; Morgante, Enrico; Racco, Davide; Rameez, Mohamed; Riotto, Antonio

    2016-01-01

    We analyze the constraints from direct and indirect detection on fermionic Majorana Dark Matter (DM). Because the interaction with the Standard Model (SM) particles is spin-dependent, a priori the constraints that one gets from neutrino telescopes, the LHC and direct detection experiments are comparable. We study the complementarity of these searches in a particular example, in which a heavy $Z'$ mediates the interactions between the SM and the DM. We find that in most cases IceCube provides the strongest bounds on this scenario, while the LHC constraints are only meaningful for smaller dark matter masses. These light masses are less motivated by thermal relic abundance considerations. We show that the dominant annihilation channels of the light DM in the Sun are either $b \\bar b$ or $t \\bar t$, while the heavy DM annihilation is completely dominated by $Zh$ channel. The latter produces a hard neutrino spectrum which has not been previously analyzed. We study the neutrino spectrum yielded by DM and recast Ice...

  19. Complementarity of DM searches in a consistent simplified model: the case of Z′

    International Nuclear Information System (INIS)

    Jacques, Thomas; Katz, Andrey; Morgante, Enrico; Racco, Davide; Rameez, Mohamed; Riotto, Antonio

    2016-01-01

    We analyze the constraints from direct and indirect detection on fermionic Majorana Dark Matter (DM). Because the interaction with the Standard Model (SM) particles is spin-dependent, a priori the constraints that one gets from neutrino telescopes, the LHC, direct and indirect detection experiments are comparable. We study the complementarity of these searches in a particular example, in which a heavy Z ′ mediates the interactions between the SM and the DM. We find that for heavy dark matter indirect detection provides the strongest bounds on this scenario, while IceCube bounds are typically stronger than those from direct detection. The LHC constraints are dominant for smaller dark matter masses. These light masses are less motivated by thermal relic abundance considerations. We show that the dominant annihilation channels of the light DM in the Sun and the Galactic Center are either bb̄ or tt̄, while the heavy DM annihilation is completely dominated by Zh channel. The latter produces a hard neutrino spectrum which has not been previously analyzed. We study the neutrino spectrum yielded by DM and recast IceCube constraints to allow proper comparison with constraints from direct and indirect detection experiments and LHC exclusions.

  20. Modeling of hydrodynamics in hollow fiber membrane bioreactor for mammalian cells cultivation

    Directory of Open Access Journals (Sweden)

    N. V. Menshutina

    2016-01-01

    Full Text Available The mathematical modelling in CFD-packages are powerfull instrument for design and calculation of any engineering tasks. CFD-package contains the set of programs that allow to model the different objects behavior based on the mathematical lows. ANSYS Fluent are widely used for modelling of biotechnological and chemical-technological processes. This package is convenient to describe their hydrodynamics. As cell cultivation is one of the actual scientific direction in modern biotechnology ANSYS Fluent was used to create the model of hollow fiber membrane bioreactor. The fibers are hollow cylindrical membrane to be used for cell cultivation. The criterion of process effectiveness for cell growth is full filling of the membrane surface by cells in the bioreactor. While the cell growth the fiber permeability is decreased which effects to feed flow through membrane pores. The specific feature of this process is to ensure such feed flow to deliver the optimal nutrition for the cells on the external membrane surface. The velocity distribution inside the fiber and in all bioreactor as a whole has been calculated based on mass an impulse conservation equations taking into account the mathematical model assumptions. The hydrodynamics analysis in hollow fiber membrane bioreactor is described by the three-dimensional model created in ANSYS Fluent. The specific features of one membrane model are considered and for whole bioreactor too.

  1. Modeling bidirectional transport of quantum dot nanoparticles in membrane nanotubes.

    Science.gov (United States)

    Kuznetsov, A V

    2011-08-01

    This paper develops a model of transport of quantum dot (QD) nanoparticles in membrane nanotubes (MNTs). It is assumed that QDs are transported inside intracellular organelles (called here nanoparticle-loaded vesicles, NLVs) that are propelled by either kinesin or dynein molecular motors while moving on microtubules (MTs). A vesicle may have both types of motors attached to it, but the motors are assumed to work in a cooperative fashion, meaning that at a given time the vesicle is moved by either kinesin or dynein motors. The motors are assumed not to work against each other, when one type of motors is pulling the vesicle, the other type is inactive. From time to time the motors may switch their roles: passive motors can become active motors and vice versa, resulting in the change of the vesicle's direction of motion. It is further assumed that QDs can escape NLVs and become free QDs, which are then transported by diffusion. Free QDs can be internalized by NLVs. The effects of two possible types of MT orientation in MNTs are investigated: when all MTs have a uniform polarity orientation, with their plus-ends directed toward one of the cells connected by an MNT, and when MTs have a mixed polarity orientation, with half of MTs having their plus-ends directed toward one of the cells and the other half having their plus-ends directed toward the other cell. Computational results are presented for three cases. The first case is when organelles are as likely to be transported by kinesin motors as by dynein motors. The second case is when organelles are more likely to be transported by kinesin motors than by dynein motors, and the third case is when NLVs do not associate with dynein motors at all. Copyright © 2011 Elsevier Inc. All rights reserved.

  2. Evaluation of novel resorbable membranes for bone augmentation in a rat model

    NARCIS (Netherlands)

    Zeng, N.; van Leeuwen, A.C.; Yuan, Huipin; Bos, R.R.M.; Grijpma, Dirk W.; Kuijer, R.

    2016-01-01

    Objectives Our study compared two novel, biodegradable poly(trimethylene carbonate) (PTMC) barrier membranes to clinically applied barrier membranes in maintaining volume of block autologous bone grafts in a rat mandible model. Material and methods Two hundred and forty rats were included in this

  3. Evaluation of novel resorbable membranes for bone augmentation in a rat model

    NARCIS (Netherlands)

    Zeng, Ni; van Leeuwen, Anne; Yuan, Huipin; Bos, Ruud R M; Grijpma, Dirk W; Kuijer, Roelof

    ObjectivesOur study compared two novel, biodegradable poly(trimethylene carbonate) (PTMC) barrier membranes to clinically applied barrier membranes in maintaining volume of block autologous bone grafts in a rat mandible model. Material and methodsTwo hundred and forty rats were included in this

  4. Air gap membrane distillation. 2. Model validation and hollow fibre module performance analysis

    NARCIS (Netherlands)

    Guijt, C.M.; Meindersma, G.W.; Reith, T.; de Haan, A.B.

    2005-01-01

    In this paper the experimental results of counter current flow air gap membrane distillation experiments are presented and compared with predictive model calculations. Measurements were carried out with a cylindrical test module containing a single hollow fibre membrane in the centre and a

  5. Structural models of the membrane anchors of envelope glycoproteins E1 and E2 from pestiviruses

    International Nuclear Information System (INIS)

    Wang, Jimin; Li, Yue; Modis, Yorgo

    2014-01-01

    The membrane anchors of viral envelope proteins play essential roles in cell entry. Recent crystal structures of the ectodomain of envelope protein E2 from a pestivirus suggest that E2 belongs to a novel structural class of membrane fusion machinery. Based on geometric constraints from the E2 structures, we generated atomic models of the E1 and E2 membrane anchors using computational approaches. The E1 anchor contains two amphipathic perimembrane helices and one transmembrane helix; the E2 anchor contains a short helical hairpin stabilized in the membrane by an arginine residue, similar to flaviviruses. A pair of histidine residues in the E2 ectodomain may participate in pH sensing. The proposed atomic models point to Cys987 in E2 as the site of disulfide bond linkage with E1 to form E1–E2 heterodimers. The membrane anchor models provide structural constraints for the disulfide bonding pattern and overall backbone conformation of the E1 ectodomain. - Highlights: • Structures of pestivirus E2 proteins impose constraints on E1, E2 membrane anchors. • Atomic models of the E1 and E2 membrane anchors were generated in silico. • A “snorkeling” arginine completes the short helical hairpin in the E2 membrane anchor. • Roles in pH sensing and E1–E2 disulfide bond formation are proposed for E1 residues. • Implications for E1 ectodomain structure and disulfide bonding pattern are discussed

  6. Structural models of the membrane anchors of envelope glycoproteins E1 and E2 from pestiviruses

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jimin, E-mail: jimin.wang@yale.edu; Li, Yue; Modis, Yorgo, E-mail: yorgo.modis@yale.edu

    2014-04-15

    The membrane anchors of viral envelope proteins play essential roles in cell entry. Recent crystal structures of the ectodomain of envelope protein E2 from a pestivirus suggest that E2 belongs to a novel structural class of membrane fusion machinery. Based on geometric constraints from the E2 structures, we generated atomic models of the E1 and E2 membrane anchors using computational approaches. The E1 anchor contains two amphipathic perimembrane helices and one transmembrane helix; the E2 anchor contains a short helical hairpin stabilized in the membrane by an arginine residue, similar to flaviviruses. A pair of histidine residues in the E2 ectodomain may participate in pH sensing. The proposed atomic models point to Cys987 in E2 as the site of disulfide bond linkage with E1 to form E1–E2 heterodimers. The membrane anchor models provide structural constraints for the disulfide bonding pattern and overall backbone conformation of the E1 ectodomain. - Highlights: • Structures of pestivirus E2 proteins impose constraints on E1, E2 membrane anchors. • Atomic models of the E1 and E2 membrane anchors were generated in silico. • A “snorkeling” arginine completes the short helical hairpin in the E2 membrane anchor. • Roles in pH sensing and E1–E2 disulfide bond formation are proposed for E1 residues. • Implications for E1 ectodomain structure and disulfide bonding pattern are discussed.

  7. A Self-consistent Model of a Ray Through the Orion Complex

    Science.gov (United States)

    Abel, N. P.; Ferland, G. J.

    2003-12-01

    The Orion Complex is the best studied region of active star formation, with observational data available over the entire electromagnetic spectrum. These extensive observations give us a good idea of the physical structure of Orion, that being a thin ( ˜ 0.1 parsec) blister H II region on the face of the molecular cloud OMC-1. A PDR, where the transition from atoms & ions to molecules occurs, forms an interface between the two. Most of the physical processes are driven by starlight from the Trapezium cluster, with the star Ori C being the strongest source of radiation. Observations made towards lines of sight near Ori C reveal numerous H II and molecular line intensities. Photoionization calculations have played an important role in determining the physical properties of the regions where these lines originate, but thus far have treated the H II region and PDR as separate problems. Actually these regions are energized by the same source of radiation, with the gas hydrodynamics providing the physical link between them. Here were present a unified physical model of a single ray through the Orion Complex. We choose a region 60'' west of Ori C, where extensive observations exist. These include lines that originate within the H II region, background PDR, and from regions deep inside OMC-1 itself. An improved treatment of the grain, molecular hydrogen, and CO physics have all been developed as part of the continuing evolution of the plasma code Cloudy, so that we can now simultaneously predict the full spectrum with few free parameters. This provides a holistic approach that will be validated in this well-studied environment then extended to the distant starburst galaxies. Acknowledgements: We thank the NSF and NASA for support.

  8. Interaction pathways between soft lipid nanodiscs and plasma membranes: A molecular modeling study.

    Science.gov (United States)

    Li, Shixin; Luo, Zhen; Xu, Yan; Ren, Hao; Deng, Li; Zhang, Xianren; Huang, Fang; Yue, Tongtao

    2017-10-01

    Lipid nanodisc, a model membrane platform originally synthesized for study of membrane proteins, has recently been used as the carrier to deliver amphiphilic drugs into target tumor cells. However, the central question of how cells interact with such emerging nanomaterials remains unclear and deserves our research for both improving the delivery efficiency and reducing the side effect. In this work, a binary lipid nanodisc is designed as the minimum model to investigate its interactions with plasma membranes by using the dissipative particle dynamics method. Three typical interaction pathways, including the membrane attachment with lipid domain exchange of nanodiscs, the partial membrane wrapping with nanodisc vesiculation, and the receptor-mediated endocytosis, are discovered. For the first pathway, the boundary normal lipids acting as ligands diffuse along the nanodisc rim to gather at the membrane interface, repelling the central bola lipids to reach a stable membrane attachment. If bola lipids are positioned at the periphery and act as ligands, they diffuse to form a large aggregate being wrapped by the membrane, leaving the normal lipids exposed on the membrane exterior by assembling into a vesicle. Finally, by setting both central normal lipids and boundary bola lipids as ligands, the receptor-mediated endocytosis occurs via both deformation and self-rotation of the nanodiscs. All above pathways for soft lipid nanodiscs are quite different from those for rigid nanoparticles, which may provide useful guidelines for design of soft lipid nanodiscs in widespread biomedical applications. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. Models of vertical coordination consistent with the development of bio-energetics

    Directory of Open Access Journals (Sweden)

    Gianluca Nardone

    Full Text Available To foster the development of the biomasses for solid fuel it is fundamental to build up a strategy at a local level in which co-exists farms as well as industrial farms. To such aim, it is necessary to implement an effective vertical coordination between the stakeholders with the definition of a contract that prevents opportunistic behaviors and guarantees the industrial investments of constant supplies over the time. Starting from a project that foresees a biomasses power plant in the south of Italy, this study reflects on the payments to fix in an eventual contract in such a way to maintain the fidelity of the farmers. These one have a greater flexibility since they can choose the most convenient crop. Therefore, their fidelity can be obtained tying the contractual payments to the price of the main alternative crop to the energetic one. The results of the study seem to indicate the opportunity to fix a purchase price of the raw materials linked to the one of durum wheat that is the most widespread crop in the territory and the one that depends more on a volatile market. Using the data of the District 12 of the province of Foggia Water Consortium with an area of 11.300 hectares (instead of the 20.000 demanded in the proposal, it has been possible to organize approximately 600 enterprises in five cluster, each of them identified by a representative farm. With a model of linear programming, we have run different simulations taking into account the possibility to grow sorghum in different ways. Through an aggregation process, it has been calculated that farmers may find it convenient to supply the energetic crop at a price of 50 €/t when the price of durum wheat is 150 €/t. Anyway, this price is lower than the one offered by firm that is planning to build the power plant. Moreover, it has been identified a strong correlation between the price of the durum wheat and the price that makes convenient for the farmers to grow the sorghum. When the

  10. Models of vertical coordination consistent with the development of bio-energetics

    Directory of Open Access Journals (Sweden)

    Rosaria Viscecchia

    2011-02-01

    Full Text Available To foster the development of the biomasses for solid fuel it is fundamental to build up a strategy at a local level in which co-exists farms as well as industrial farms. To such aim, it is necessary to implement an effective vertical coordination between the stakeholders with the definition of a contract that prevents opportunistic behaviors and guarantees the industrial investments of constant supplies over the time. Starting from a project that foresees a biomasses power plant in the south of Italy, this study reflects on the payments to fix in an eventual contract in such a way to maintain the fidelity of the farmers. These one have a greater flexibility since they can choose the most convenient crop. Therefore, their fidelity can be obtained tying the contractual payments to the price of the main alternative crop to the energetic one. The results of the study seem to indicate the opportunity to fix a purchase price of the raw materials linked to the one of durum wheat that is the most widespread crop in the territory and the one that depends more on a volatile market. Using the data of the District 12 of the province of Foggia Water Consortium with an area of 11.300 hectares (instead of the 20.000 demanded in the proposal, it has been possible to organize approximately 600 enterprises in five cluster, each of them identified by a representative farm. With a model of linear programming, we have run different simulations taking into account the possibility to grow sorghum in different ways. Through an aggregation process, it has been calculated that farmers may find it convenient to supply the energetic crop at a price of 50 €/t when the price of durum wheat is 150 €/t. Anyway, this price is lower than the one offered by firm that is planning to build the power plant. Moreover, it has been identified a strong correlation between the price of the durum wheat and the price that makes convenient for the farmers to grow the sorghum. When the

  11. Scale-Up Design Analysis and Modelling of Cobalt Oxide Silica Membrane Module for Hydrogen Processing

    OpenAIRE

    Guozhao Ji; Guoxiong Wang; Kamel Hooman; Suresh K. Bhatia; João C. Diniz da Costa

    2013-01-01

    This work shows the application of a validated mathematical model for gas permeation at high temperatures focusing on demonstrated scale-up design for H2 processing. The model considered the driving force variation with spatial coordinates and the mass transfer across the molecular sieve cobalt oxide silica membrane to predict the separation performance. The model was used to study the process of H2 separation at 500 °C in single and multi-tube membrane modules. Parameters of interest include...

  12. A simple and self-consistent geostrophic-force-balance model of the thermohaline circulation with boundary mixing

    Directory of Open Access Journals (Sweden)

    J. Callies

    2012-01-01

    Full Text Available A simple model of the thermohaline circulation (THC is formulated, with the objective to represent explicitly the geostrophic force balance of the basinwide THC. The model comprises advective-diffusive density balances in two meridional-vertical planes located at the eastern and the western walls of a hemispheric sector basin. Boundary mixing constrains vertical motion to lateral boundary layers along these walls. Interior, along-boundary, and zonally integrated meridional flows are in thermal-wind balance. Rossby waves and the absence of interior mixing render isopycnals zonally flat except near the western boundary, constraining meridional flow to the western boundary layer. The model is forced by a prescribed meridional surface density profile.

    This two-plane model reproduces both steady-state density and steady-state THC structures of a primitive-equation model. The solution shows narrow deep sinking at the eastern high latitudes, distributed upwelling at both boundaries, and a western boundary current with poleward surface and equatorward deep flow. The overturning strength has a 2/3-power-law dependence on vertical diffusivity and a 1/3-power-law dependence on the imposed meridional surface density difference. Convective mixing plays an essential role in the two-plane model, ensuring that deep sinking is located at high latitudes. This role of convective mixing is consistent with that in three-dimensional models and marks a sharp contrast with previous two-dimensional models.

    Overall, the two-plane model reproduces crucial features of the THC as simulated in simple-geometry three-dimensional models. At the same time, the model self-consistently makes quantitative a conceptual picture of the three-dimensional THC that hitherto has been expressed either purely qualitatively or not self-consistently.

  13. Quantification of functional groups and modeling of their ionization behavior in the active layer of FT30 reverse osmosis membrane.

    Science.gov (United States)

    Coronell, Orlando; Mariñas, Benito J; Zhang, Xijing; Cahill, David G

    2008-07-15

    A new experimental approach was developed to measure the concentration of charged functional groups (FGs) in the active layer of thin-film composite reverse osmosis (RO) and nanofiltration (NF) membranes as a function of solution pH. FT30 RO membrane, with a fully aromatic polyamide (PA) active layer sandwiched between a polysulfone support and a coating layer, was used. The experiments consisted of saturating charged FGs with heavy ion probes, and determining the ion probe concentration by Rutherford backscattering spectrometry (RBS). Deprotonated carboxylic groups were saturated with Ag+, and protonated amine groups with W04(2-). The ionization behavior of carboxylic and amine groups was modeled based on acid-base equilibrium theory. While the ionization behavior of amine groups was satisfactorily described by one dissociation constant (pKa = 4.74), two pKa values (5.23 and 8.97) were necessary to describe the titration curve of carboxylic groups. These results were consistent with the bimodal pore size distribution (PSD) of FT30 active layer reported in the literature. The calculated total concentrations of carboxylic and amine groups in the active layer of the FT30 RO membrane studied were 0.432 and 0.036 M, respectively, and the isoelectric point (IEP) was 4.7. The total concentration of carboxylic and amine groups revealed that the degree of cross-linking of the PA active layer of the FT30 RO membrane studied was 94%.

  14. Interactions of a Photochromic Spiropyran with Liposome Model Membranes

    KAUST Repository

    Jonsson, Fabian

    2013-02-19

    The interactions between anionic or zwitterionic liposomes and a water-soluble, DNA-binding photochromic spiropyran are studied using UV/vis absorption and linear dichroism (LD) spectroscopy. The spectral characteristics as well as the kinetics of the thermal isomerization process in the absence and presence of the two different liposome types provide information about the environment and whether or not the spiropyran resides in the liposome membrane. By measuring LD on liposomes deformed and aligned by shear flow, further insight is obtained about interaction and binding geometry of the spiropyran at the lipid membranes. We show that the membrane interactions differ between the two types of liposomes used as well as the isomeric forms of the spiropyran photoswitch. © 2013 American Chemical Society.

  15. Self-consistent field modeling of non-ionic surfactants at the silica-water interface: Incorporating molecular detail

    NARCIS (Netherlands)

    Postmus, B.R.; Leermakers, F.A.M.; Cohen Stuart, M.A.

    2008-01-01

    We have constructed a model to predict the properties of non-ionic (alkyl-ethylene oxide) (C(n)E(m)) surfactants, both in aqueous solutions and near a silica surface, based upon the self-consistent field theory using the Scheutjens-Fleer discretisation scheme. The system has the pH and the ionic

  16. Analysis of mass transfer characteristics in a tubular membrane using CFD modeling.

    Science.gov (United States)

    Yang, Jixiang; Vedantam, Sreepriya; Spanjers, Henri; Nopens, Ingmar; van Lier, Jules B

    2012-10-01

    In contrast to the large amount of research into aerobic membrane bioreactors, little work has been reported on anaerobic membrane bioreactors (AMBRs). As to the application of membrane bioreactors, membrane fouling is a key issue. Membrane fouling generally occurs more seriously in AMBRs than in aerobic membrane bioreactors. However, membrane fouling could be managed through the application of suitable shear stress that can be introduced by the application of a two-phase flow. When the two-phase flow is applied in AMBRs, little is known about the mass transfer characteristics, which is of particular importance, in tubular membranes of AMBRs. In our present work, we have employed fluid dynamic modeling to analyze the mass transfer characteristics in the tubular membrane of a side stream AMBR in which, gas-lift two-phase flow was applied. The modeling indicated that the mass transfer capacity at the membrane surface at the noses of gas bubbles was higher than the mass transfer capacity at the tails of the bubbles, which is in contrast to the results when water instead of sludge is applied. At the given mass transfer rate, the filterability of the sludge was found to have a strong influence on the transmembrane pressure at a steady flux. In addition, the model also showed that the shear stress in the internal space of the tubular membrane was mainly around 20 Pa but could be as high as about 40 Pa due to gas bubble movements. Nonetheless, at these shear stresses a stable particle size distribution was found for sludge particles. Copyright © 2012 Elsevier Ltd. All rights reserved.

  17. Saponin Interactions with Model Membrane Systems - Langmuir Monolayer Studies, Hemolysis and Formation of ISCOMs.

    Science.gov (United States)

    de Groot, Carolin; Müller-Goymann, Christel C

    2016-12-01

    Saponins are used in medicine due to their pharmacological and immunological effects. To better understand interactions of saponins with model membranes and natural membranes of, for example, erythrocytes, Langmuir film balance experiments are well established. For most saponins, a strong interaction with cholesterol was demonstrated in dependence of both the aglycone part and the sugar moieties and is suggested to be correlated with a strong hemolytic activity, high toxicity, and high surface activity, as was demonstrated for the steroid saponin digitonin. In general, changes in the sugar chain or in substituents of the aglycone result in a modification of the saponin properties. A promising saponin with regard to fairly low hemolytic activity and high adjuvant effect is α -tomatine, which still shows a high affinity for cholesterol. An interaction with cholesterol and lipids has also been proven for the Quillaja saponin from the bark of Quillaja saponaria Molina. This triterpene saponin was approved in marketed vaccines as an adjuvant due to the formation of immunostimulating complexes. Immunostimulating complexes consist of a Quillaja saponin, cholesterol, phospholipids, and a corresponding antigen. Recently, another saponin from Quillaja brasiliensis was successfully tested in immunostimulating complexes, too. Based on the results of interaction studies, the formation of drug delivery systems such as immunostimulating complexes or similar self-assembled colloids is postulated for a variety of saponins. Georg Thieme Verlag KG Stuttgart · New York.

  18. Effect of amniotic membrane to reduce postlaminectomy epidural adhesion on a rat model.

    Science.gov (United States)

    Choi, Hyu Jin; Kim, Kyoung Beom; Kwon, Young-Min

    2011-06-01

    Epidural fibrosis and adhesion are the main reasons for post-laminectomy sustained pain and functional disability. In this study, the authors investigate the effect of irradiated freeze-dried human amniotic membrane on reducing epidural adhesion after laminectomy on a rat model. A total of 20 rats were divided into two groups. The group A did not receive human amniotic membrane implantation after laminectomy and group B underwent human amniotic membrane implantation after laminectomy. Gross and microscopic findings were evaluated and compared at postoperative 1, 3 and 8 weeks. The amount of scar tissue and tenacity were reduced grossly in group of rats with human amniotic membrane implantation (group B). On a microscopic evaluation, there were less inflammatory cell infiltration and fibroblast proliferation in group B. This experimental study shows that implantation of irradiated freeze-dried human amniotic membrane reduce epidural fibrosis and adhesion after spinal laminectomy in a rat model.

  19. Ice formation in model biological membranes in the presence of cryoprotectors

    Energy Technology Data Exchange (ETDEWEB)

    Kiselev, M.A. E-mail: kiselev@nf.jinr.ru; Lesieur, P.; Kisselev, A.M.; Ollivon, M

    2000-06-21

    Ice formation in model biological membranes is studied by SAXS and WAXS in the presence of cryoprotectors: dimethyl sulfoxide and glycerol. Three types of phospholipid membranes: DPPC, DMPC, DSPC are chosen for the investigation as well-studied model biological membranes. A special cryostat is used for sample cooling from 14.1 deg. C to -55.4 deg. C. The ice formation is detected only by WAXS in binary phospholipid/water and ternary phospholipid/cryoprotector/water systems in the condition of excess solvent. Ice formation in a binary phospholipid/water system creates an abrupt decrease of the membrane repeat distance by {delta}d, the so-called ice-induced dehydration of intermembrane space. The value of {delta}d decreases as the cryoprotector concentration increases. The formation of ice does not influence the membrane structure ({delta}d=0) for cryoprotector mole fractions higher than 0.05.

  20. Proton-Conducting Polymer Membrane Consisting of Cross-Linked Poly(2-hydroxyethyl methacrylate) with Nafion® for Fuel Cell Application.

    Science.gov (United States)

    Kim, Hee Jin; Talukdar, Krishan; Kabir, M D Lutful; Choi, Sang-June

    2018-08-01

    To increase the water retention and proton-conducting ability of Nafion®, we prepared a cross-linked polymer consisting of poly(2-hydroxyethyl methacrylate) (pHEMA) and Nafion®. pHEMA was chosen as a cross-linking polymer because it produces a water-insoluble but water-swellable polymer. Although it is hydrophobic, its water-swellable characteristic means that water will not be excluded from the polymer. Introduction of pHEMA into Nafion® prevents polymer solubility and provides structural stability and rigidity, which should in turn reduce the methanol permeability. Moreover, convenient permeability of pHEMA to cations makes it a good candidate for a hydrocarbon proton-conducting polymer tuned with Nafion®.

  1. Direct observation of intermediate states in model membrane fusion

    Science.gov (United States)

    Keidel, Andrea; Bartsch, Tobias F.; Florin, Ernst-Ludwig

    2016-01-01

    We introduce a novel assay for membrane fusion of solid supported membranes on silica beads and on coverslips. Fusion of the lipid bilayers is induced by bringing an optically trapped bead in contact with the coverslip surface while observing the bead’s thermal motion with microsecond temporal and nanometer spatial resolution using a three-dimensional position detector. The probability of fusion is controlled by the membrane tension on the particle. We show that the progression of fusion can be monitored by changes in the three-dimensional position histograms of the bead and in its rate of diffusion. We were able to observe all fusion intermediates including transient fusion, formation of a stalk, hemifusion and the completion of a fusion pore. Fusion intermediates are characterized by axial but not lateral confinement of the motion of the bead and independently by the change of its rate of diffusion due to the additional drag from the stalk-like connection between the two membranes. The detailed information provided by this assay makes it ideally suited for studies of early events in pure lipid bilayer fusion or fusion assisted by fusogenic molecules. PMID:27029285

  2. Protein modeling of apical membrane antigen-1(AMA-1) of ...

    African Journals Online (AJOL)

    Apical membrane Antigen-1(AMA-1), an asexual blood stage antigen of Plasmodium cynomolgi, is an important candidate for testing as a component of malarial vaccine. The degree of conservation of. AMA-1 sequences implies a conserved function for this molecule across different species of Plasmodium. Since the AMA-1 ...

  3. Modelling of biohydrogen production and recovery by membrane gas separation

    Czech Academy of Sciences Publication Activity Database

    Búcsú, D.; Nemestóthy, N.; Pientka, Zbyněk; Gubicza, L.; Bélafi-Bakó, K.

    2009-01-01

    Roč. 240, 1-3 (2009), s. 306-310 ISSN 0011-9164 R&D Projects: GA ČR GA203/06/1207 Institutional research plan: CEZ:AV0Z40500505 Keywords : integrated system * Escherichia coli * PES-PI membrane Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.034, year: 2009

  4. α-Synuclein oligomers distinctively permeabilize complex model membranes

    NARCIS (Netherlands)

    Stefanovic, Anja N D; Stöckl, Martin T; Claessens, Mireille M A E; Subramaniam, Vinod

    α-Synuclein oligomers are increasingly considered to be responsible for the death of dopaminergic neurons in Parkinson's disease. The toxicity mechanism of α-synuclein oligomers likely involves membrane permeabilization. Even though it is well established that α-synuclein oligomers bind and

  5. Lipid organization of the plasma membrane

    NARCIS (Netherlands)

    Ingólfsson, Helgi I; Melo, Manuel N; van Eerden, Floris J; Arnarez, Clément; Lopez, Cesar A; Wassenaar, Tsjerk A; Periole, Xavier; de Vries, Alex H; Tieleman, D Peter; Marrink, Siewert J

    2014-01-01

    The detailed organization of cellular membranes remains rather elusive. Based on large-scale molecular dynamics simulations, we provide a high-resolution view of the lipid organization of a plasma membrane at an unprecedented level of complexity. Our plasma membrane model consists of 63 different

  6. Anode partial flooding modelling of proton exchange membrane fuel cells: Model development and validation

    International Nuclear Information System (INIS)

    Xing, Lei; Du, Shangfeng; Chen, Rui; Mamlouk, Mohamed; Scott, Keith

    2016-01-01

    A two-dimensional along-the-channel CFD (computational fluid dynamic) model, coupled with a two-phase flow model of liquid water and gas transport for a PEM (proton exchange membrane) fuel cell is described. The model considers non-isothermal operation and thus the non-uniform temperature distribution in the cell structure. Water phase-transfer between the vapour, liquid water and dissolved phase is modelled with the combinational transport mechanism through the membrane. Liquid water saturation is simulated inside the electrodes and channels at both the anode and cathode sides. Three types of models are compared for the HOR (hydrogen oxidation reaction) and ORR (oxygen reduction reaction) in catalyst layers, including Butler–Volmer (B–V), liquid water saturation corrected B–V and agglomerate mechanisms. Temperature changes in MEA (membrane electrode assembly) and channels due to electrochemical reaction, ohmic resistance and water phase-transfer are analysed as a function of current density. Nonlinear relations of liquid water saturations with respect to current densities at both the anode and cathode are regressed. At low and high current densities, liquid water saturation at the anode linearly increases as a consequence of the linear increase of liquid water saturation at the cathode. In contrast, exponential relation is found to be more accurate at medium current densities. - Highlights: • A fully coupled 2D, along-the-channel, two-phase flow, non-isothermal, CFD model is developed. • Temperature rise due to electrochemical reactions, ohmic resistance and water phase-transfer is analysed. • Mathematical expressions of liquid water saturation against current density at anode and cathode are regressed. • Relationship between the liquid water saturation at anode and cathode is built.

  7. Using a Theory-Consistent CVAR Scenario to Test an Exchange Rate Model Based on Imperfect Knowledge

    Directory of Open Access Journals (Sweden)

    Katarina Juselius

    2017-07-01

    Full Text Available A theory-consistent CVAR scenario describes a set of testable regularieties one should expect to see in the data if the basic assumptions of the theoretical model are empirically valid. Using this method, the paper demonstrates that all basic assumptions about the shock structure and steady-state behavior of an an imperfect knowledge based model for exchange rate determination can be formulated as testable hypotheses on common stochastic trends and cointegration. This model obtaines remarkable support for almost every testable hypothesis and is able to adequately account for the long persistent swings in the real exchange rate.

  8. A new laboratory model using bull and boar spermatozoa and fluorescent beads to assess a membrane's occlusive potential.

    Science.gov (United States)

    Szellö, M; Janett, F; Ewald, C; Music, M; Sener, B; Attin, T; Schmidlin, P R

    2016-11-01

    The objective of the present study is to assess the potential of bull and boar spermatozoa and fluorescent beads to be used as a surrogate cell model to determine the cell occlusive potential in vitro using membranes of standardized porosities. A two-chamber model system consisting of upper and lower chambers, which could be separated by membranes, was constructed. Isopore polycarbonate membranes with different standardized pore diameters were used to assess the mobile cellular penetration behavior of spermatozoa or the more passive non-cellular permeability of fluorescent particles (beads) of different diameter and color. In a first experiment, spermatozoa were placed in the lower chamber, whereas semen extender only was placed in the upper chamber. After 10 min of incubation at 37 °C, the sperm number was assessed in the latter. In a second experiment, a bead solution was drawn through resorbable collagen membranes from the upper into the lower chamber by vacuum using a syringe and bead number and size was analyzed by flow cytometry. All experiments were carried out in triplicates. A non-porous polyester membrane was used as negative control to assess the overall tightness of the setup. Boar and bull spermatozoa had average cell body lengths and widths of 9 × 5 μm and were unable to pass through pores ≤2 μm, whereas they were detectable at pore sizes ≥3 μm. Their number increased with increasing pore diameters, i.e., from minimal concentrations of 0.1 × 10 6 /ml for boar and 0.5 × 10 6 /ml for bull spermatozoa at 3 μm to maximal concentrations of 2.1 × 10 6 /ml for boar and 13.1 × 10 6 /ml for bull spermatozoa at 8 μm. The fluorescent beads followed the expected pattern of permeability reliably correlating bead and pore diameter. Within the limitations of this laboratory study and the xenogeneic cell surrogate material, the model allows to easily assess cell and particle penetration through porous structures like

  9. Modeling the phenomena of dehydration and flooding of a polymer electrolyte membrane fuel cell

    Science.gov (United States)

    Gerteisen, Dietmar; Heilmann, Timothy; Ziegler, Christoph

    A one-dimensional, two-phase, transient PEM fuel cell model including gas diffusion layer, cathode catalyst layer and membrane is developed. The electrode is assumed to consist of a network of dispersed Pt/C forming spherically shaped agglomerated zones that are filled with electrolyte. Water is modeled in all three phases: vapor, liquid and dissolved in the ionomer to capture the effect of dehydration of the ionomer as well as flooding of the porous media. The anode is modeled as a sophisticated spatially reduced interface. Motivated by environmental scanning electron microscope (ESEM) images of contact angles for microscopic water droplets on fibers of the gas diffusion layer, we introduce the feature of immobile saturation. A step change of the saturation between the catalyst layer and the gas diffusion layer is modeled based on the assumption of a continuous capillary pressure at the interface. The model is validated against voltammetry experiments under various humidification conditions which all show hysteresis effects in the mass transport limited region. The transient saturation profiles clearly show that insufficient liquid water removal causes pore flooding, which is responsible for the oxygen mass transport limitation at high current density values. The simulated and measured current responses from chronoamperometry experiments are compared and analyzed.

  10. Expansion of thermodynamic model of solute permeation through reverse osmosis membrane

    International Nuclear Information System (INIS)

    Nishimaki, Kenzo; Koyama, Akio

    1994-01-01

    Many studies have been performed on permeation mechanism of solute and solvent in membrane separation process like reverse osmosis or ultrafiltration, and several models of solute/solvent permeation through membrane are proposed. Among these models, Kedem and Katchalsky, based on the theory of thermodynamics of irreversible processes, formulated the one-solute permeation process in their mathematical model, which treats membrane as a black box, not giving consideration to membrane structure and to interaction between membrane material and permeates, viz. solute and solvent. According to this theory, the driving force of solute/solvent permeation through membrane is the difference of their chemical potential between both sides of membrane, and the linear phenomenological equation is applied to describing the relation between driving force and flux of solute/solvent. This equation can be applied to the irreversible process only when the process is almost in equilibrium. This condition is supposed to be satisfied in the solute/solvent permeation process through compact membrane with fine pores like reverse osmosis membrane. When reverse osmosis is applied to treatment process for liquid waste, which usually contains a lot of solutes as contaminants, we can not predict the behavior of contaminants by the above one-solute process model. In the case of multi-solutes permeation process for liquid waste, the number of parameter in thermodynamic model increases rapidly with the number of solute, because of coupling phenomenon among solutes. In this study, we expanded the above thermodynamic model to multi-solute process applying operational calculus to the differential equations which describe the irreversible process of the system, and expressed concisely solute concentration vector as a matrix product. In this way, we predict the behavior of solutes in multi-solutes process, using values of parameters obtained in two-solutes process. (author)

  11. Effect of Structure on the Interactions between Five Natural Antimicrobial Compounds and Phospholipids of Bacterial Cell Membrane on Model Monolayers

    Directory of Open Access Journals (Sweden)

    Stella W. Nowotarska

    2014-06-01

    Full Text Available Monolayers composed of bacterial phospholipids were used as model membranes to study interactions of the naturally occurring phenolic compounds 2,5-dihydroxybenzaldehyde and 2-hydroxy-5-methoxybenzaldehyde, and the plant essential oil compounds carvacrol, cinnamaldehyde, and geraniol, previously found to be active against both Gram-positive and Gram-negative pathogenic microorganisms. The lipid monolayers consist of 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine (DPPE, 1,2-dihexa- decanoyl-sn-glycero-3-phospho-(1'-rac-glycerol (DPPG, and 1,1',2,2'-tetratetradecanoyl cardiolipin (cardiolipin. Surface pressure–area (π-A and surface potential–area (Δψ-A isotherms were measured to monitor changes in the thermodynamic and physical properties of the lipid monolayers. Results of the study indicated that the five compounds modified the three lipid monolayer structures by integrating into the monolayer, forming aggregates of antimicrobial –lipid complexes, reducing the packing effectiveness of the lipids, increasing the membrane fluidity, and altering the total dipole moment in the monolayer membrane model. The interactions of the five antimicrobial compounds with bacterial phospholipids depended on both the structure of the antimicrobials and the composition of the monolayers. The observed experimental results provide insight into the mechanism of the molecular interactions between naturally-occurring antimicrobial compounds and phospholipids of the bacterial cell membrane that govern activities.

  12. Analysis and optimization of a proton exchange membrane fuel cell using modeling techniques

    International Nuclear Information System (INIS)

    Torre Valdés, Ing. Raciel de la; García Parra, MSc. Lázaro Roger; González Rodríguez, MSc. Daniel

    2015-01-01

    This paper proposes a three-dimensional, non-isothermal and steady-state model of Proton Exchange Membrane Fuel Cell using Computational Fluid Dynamic techniques, specifically ANSYS FLUENT 14.5. It's considered multicomponent diffusion and two-phasic flow. The model was compared with experimental published data and with another model. The operation parameters: reactants pressure and temperature, gases flow direction, gas diffusion layer and catalyst layer porosity, reactants humidification and oxygen concentration are analyzed. The model allows the fuel cell design optimization taking in consideration the channels dimensions, the channels length and the membrane thickness. Furthermore, fuel cell performance is analyzed working with SPEEK membrane, an alternative electrolyte to Nafion. In order to carry on membrane material study, it's necessary to modify the expression that describes the electrolyte ionic conductivity. It's found that the device performance has got a great sensibility to pressure, temperature, reactant humidification and oxygen concentration variations. (author)

  13. Electrochemistry Modeling of Proton Exchange Membrane (PEM) Water Electrolysis for Hydrogen Production

    International Nuclear Information System (INIS)

    Meng Ni; Michael KH Leung; Dennis YC Leung

    2006-01-01

    An electrochemistry model was developed to analyse the J-V characteristics of a Proton Exchange Membrane (PEM) water electrolyzer for hydrogen production. The Butler-Volmer equation and water transport characteristics through electrolyte membrane were employed to simulate the electrode activation over-potential and membrane ohmic over-potential, respectively. The modeling results are found to agree reasonably well with experimental data published in the literature. The parametric simulations show that the ohmic over-potential is relatively small with typical water content in the membrane. Compared with the cathode over-potential, the anode over-potential is more significant and constitutes the major source of voltage loss. The high anode over-potential is due to the relatively slow oxidation kinetics, which is related to anode material property and microstructure. This model can be integrated with a photovoltaic or wind turbine model to predict the performance of sustainable hydrogen production systems and optimise their designs. (authors)

  14. Exploring large-scale phenomena in composite membranes through an efficient implicit-solvent model

    Science.gov (United States)

    Laradji, Mohamed; Kumar, P. B. Sunil; Spangler, Eric J.

    2016-07-01

    Several microscopic and mesoscale models have been introduced in the past to investigate various phenomena in lipid membranes. Most of these models account for the solvent explicitly. Since in a typical molecular dynamics simulation, the majority of particles belong to the solvent, much of the computational effort in these simulations is devoted for calculating forces between solvent particles. To overcome this problem, several implicit-solvent mesoscale models for lipid membranes have been proposed during the last few years. In the present article, we review an efficient coarse-grained implicit-solvent model we introduced earlier for studies of lipid membranes. In this model, lipid molecules are coarse-grained into short semi-flexible chains of beads with soft interactions. Through molecular dynamics simulations, the model is used to investigate the thermal, structural and elastic properties of lipid membranes. We will also review here few studies, based on this model, of the phase behavior of nanoscale liposomes, cytoskeleton-induced blebbing in lipid membranes, as well as nanoparticles wrapping and endocytosis by tensionless lipid membranes. Topical Review article submitted to the Journal of Physics D: Applied Physics, May 9, 2016

  15. Exploring large-scale phenomena in composite membranes through an efficient implicit-solvent model

    International Nuclear Information System (INIS)

    Laradji, Mohamed; Sunil Kumar, P B; Spangler, Eric J

    2016-01-01

    Several microscopic and mesoscale models have been introduced in the past to investigate various phenomena in lipid membranes. Most of these models account for the solvent explicitly. Since in a typical molecular dynamics simulation, the majority of particles belong to the solvent, much of the computational effort in these simulations is devoted for calculating forces between solvent particles. To overcome this problem, several implicit-solvent mesoscale models for lipid membranes have been proposed during the last few years. In the present article, we review an efficient coarse-grained implicit-solvent model we introduced earlier for studies of lipid membranes. In this model, lipid molecules are coarse-grained into short semi-flexible chains of beads with soft interactions. Through molecular dynamics simulations, the model is used to investigate the thermal, structural and elastic properties of lipid membranes. We will also review here few studies, based on this model, of the phase behavior of nanoscale liposomes, cytoskeleton-induced blebbing in lipid membranes, as well as nanoparticles wrapping and endocytosis by tensionless lipid membranes. (topical review)

  16. A macroscopic model of proton transport through the membrane-ionomer interface of a polymer electrolyte membrane fuel cell

    Science.gov (United States)

    Kumar, Milan; Edwards, Brian J.; Paddison, Stephen J.

    2013-02-01

    The membrane-ionomer interface is the critical interlink of the electrodes and catalyst to the polymer electrolyte membrane (PEM); together forming the membrane electrode assembly in current state-of-the-art PEM fuel cells. In this paper, proton conduction through the interface is investigated to understand its effect on the performance of a PEM fuel cell. The water containing domains at this interface were modeled as cylindrical pores/channels with the anionic groups (i.e., -SO3-) assumed to be fixed on the pore wall. The interactions of each species with all other species and an applied external field were examined. Molecular-based interaction potential energies were computed in a small test element of the pore and were scaled up in terms of macroscopic variables. Evolution equations of the density and momentum of the species (water molecules and hydronium ions) were derived within a framework of nonequilibrium thermodynamics. The resulting evolution equations for the species were solved analytically using an order-of-magnitude analysis to obtain an expression for the proton conductivity. Results show that the conductivity increases with increasing water content and pore radius, and strongly depends on the separation distance between the sulfonate groups and their distribution on the pore wall. It was also determined that the conductivity of two similar pores of different radii in series is limited by the pore with the smaller radius.

  17. Modeling and Design Optimization of Multifunctional Membrane Reactors for Direct Methane Aromatization.

    Science.gov (United States)

    Fouty, Nicholas J; Carrasco, Juan C; Lima, Fernando V

    2017-08-29

    Due to the recent increase of natural gas production in the U.S., utilizing natural gas for higher-value chemicals has become imperative. Direct methane aromatization (DMA) is a promising process used to convert methane to benzene, but it is limited by low conversion of methane and rapid catalyst deactivation by coking. Past work has shown that membrane separation of the hydrogen produced in the DMA reactions can dramatically increase the methane conversion by shifting the equilibrium toward the products, but it also increases coke production. Oxygen introduction into the system has been shown to inhibit this coke production while not inhibiting the benzene production. This paper introduces a novel mathematical model and design to employ both methods in a multifunctional membrane reactor to push the DMA process into further viability. Multifunctional membrane reactors, in this case, are reactors where two different separations occur using two differently selective membranes, on which no systems studies have been found. The proposed multifunctional membrane design incorporates a hydrogen-selective membrane on the outer wall of the reaction zone, and an inner tube filled with airflow surrounded by an oxygen-selective membrane in the middle of the reactor. The design is shown to increase conversion via hydrogen removal by around 100%, and decrease coke production via oxygen addition by 10% when compared to a tubular reactor without any membranes. Optimization studies are performed to determine the best reactor design based on methane conversion, along with coke and benzene production. The obtained optimal design considers a small reactor (length = 25 cm, diameter of reaction tube = 0.7 cm) to subvert coke production and consumption of the product benzene as well as a high permeance (0.01 mol/s·m²·atm 1/4 ) through the hydrogen-permeable membrane. This modeling and design approach sets the stage for guiding further development of multifunctional membrane reactor

  18. Shingle 2.0: generalising self-consistent and automated domain discretisation for multi-scale geophysical models

    Directory of Open Access Journals (Sweden)

    A. S. Candy

    2018-01-01

    Full Text Available The approaches taken to describe and develop spatial discretisations of the domains required for geophysical simulation models are commonly ad hoc, model- or application-specific, and under-documented. This is particularly acute for simulation models that are flexible in their use of multi-scale, anisotropic, fully unstructured meshes where a relatively large number of heterogeneous parameters are required to constrain their full description. As a consequence, it can be difficult to reproduce simulations, to ensure a provenance in model data handling and initialisation, and a challenge to conduct model intercomparisons rigorously. This paper takes a novel approach to spatial discretisation, considering it much like a numerical simulation model problem of its own. It introduces a generalised, extensible, self-documenting approach to carefully describe, and necessarily fully, the constraints over the heterogeneous parameter space that determine how a domain is spatially discretised. This additionally provides a method to accurately record these constraints, using high-level natural language based abstractions that enable full accounts of provenance, sharing, and distribution. Together with this description, a generalised consistent approach to unstructured mesh generation for geophysical models is developed that is automated, robust and repeatable, quick-to-draft, rigorously verified, and consistent with the source data throughout. This interprets the description above to execute a self-consistent spatial discretisation process, which is automatically validated to expected discrete characteristics and metrics. Library code, verification tests, and examples available in the repository at https://github.com/shingleproject/Shingle. Further details of the project presented at http://shingleproject.org.

  19. Shingle 2.0: generalising self-consistent and automated domain discretisation for multi-scale geophysical models

    Science.gov (United States)

    Candy, Adam S.; Pietrzak, Julie D.

    2018-01-01

    The approaches taken to describe and develop spatial discretisations of the domains required for geophysical simulation models are commonly ad hoc, model- or application-specific, and under-documented. This is particularly acute for simulation models that are flexible in their use of multi-scale, anisotropic, fully unstructured meshes where a relatively large number of heterogeneous parameters are required to constrain their full description. As a consequence, it can be difficult to reproduce simulations, to ensure a provenance in model data handling and initialisation, and a challenge to conduct model intercomparisons rigorously. This paper takes a novel approach to spatial discretisation, considering it much like a numerical simulation model problem of its own. It introduces a generalised, extensible, self-documenting approach to carefully describe, and necessarily fully, the constraints over the heterogeneous parameter space that determine how a domain is spatially discretised. This additionally provides a method to accurately record these constraints, using high-level natural language based abstractions that enable full accounts of provenance, sharing, and distribution. Together with this description, a generalised consistent approach to unstructured mesh generation for geophysical models is developed that is automated, robust and repeatable, quick-to-draft, rigorously verified, and consistent with the source data throughout. This interprets the description above to execute a self-consistent spatial discretisation process, which is automatically validated to expected discrete characteristics and metrics. Library code, verification tests, and examples available in the repository at https://github.com/shingleproject/Shingle. Further details of the project presented at http://shingleproject.org.

  20. Multi-Time Scale Model Order Reduction and Stability Consistency Certification of Inverter-Interfaced DG System in AC Microgrid

    Directory of Open Access Journals (Sweden)

    Xiaoxiao Meng

    2018-01-01

    Full Text Available AC microgrid mainly comprise inverter-interfaced distributed generators (IIDGs, which are nonlinear complex systems with multiple time scales, including frequency control, time delay measurements, and electromagnetic transients. The droop control-based IIDG in an AC microgrid is selected as the research object in this study, which comprises power droop controller, voltage- and current-loop controllers, and filter and line. The multi-time scale characteristics of the detailed IIDG model are divided based on singular perturbation theory. In addition, the IIDG model order is reduced by neglecting the system fast dynamics. The static and transient stability consistency of the IIDG model order reduction are demonstrated by extracting features of the IIDG small signal model and using the quadratic approximation method of the stability region boundary, respectively. The dynamic response consistencies of the IIDG model order reduction are evaluated using the frequency, damping and amplitude features extracted by the Prony transformation. Results are applicable to provide a simplified model for the dynamic characteristic analysis of IIDG systems in AC microgrid. The accuracy of the proposed method is verified by using the eigenvalue comparison, the transient stability index comparison and the dynamic time-domain simulation.

  1. A relativistic self-consistent model for studying enhancement of space charge limited emission due to counter-streaming ions

    Science.gov (United States)

    Lin, M. C.; Verboncoeur, J.

    2016-10-01

    A maximum electron current transmitted through a planar diode gap is limited by space charge of electrons dwelling across the gap region, the so called space charge limited (SCL) emission. By introducing a counter-streaming ion flow to neutralize the electron charge density, the SCL emission can be dramatically raised, so electron current transmission gets enhanced. In this work, we have developed a relativistic self-consistent model for studying the enhancement of maximum transmission by a counter-streaming ion current. The maximum enhancement is found when the ion effect is saturated, as shown analytically. The solutions in non-relativistic, intermediate, and ultra-relativistic regimes are obtained and verified with 1-D particle-in-cell simulations. This self-consistent model is general and can also serve as a comparison for verification of simulation codes, as well as extension to higher dimensions.

  2. Mathematical modeling of liquid/liquid hollow fiber membrane contactor accounting for interfacial transport phenomena: Extraction of lanthanides as a surrogate for actinides

    International Nuclear Information System (INIS)

    Rogers, J.D.

    1994-01-01

    This report is divided into two parts. The second part is divided into the following sections: experimental protocol; modeling the hollow fiber extractor using film theory; Graetz model of the hollow fiber membrane process; fundamental diffusive-kinetic model; and diffusive liquid membrane device-a rigorous model. The first part is divided into: membrane and membrane process-a concept; metal extraction; kinetics of metal extraction; modeling the membrane contactor; and interfacial phenomenon-boundary conditions-applied to membrane transport

  3. Mathematical modeling of liquid/liquid hollow fiber membrane contactor accounting for interfacial transport phenomena: Extraction of lanthanides as a surrogate for actinides

    Energy Technology Data Exchange (ETDEWEB)

    Rogers, J.D.

    1994-08-04

    This report is divided into two parts. The second part is divided into the following sections: experimental protocol; modeling the hollow fiber extractor using film theory; Graetz model of the hollow fiber membrane process; fundamental diffusive-kinetic model; and diffusive liquid membrane device-a rigorous model. The first part is divided into: membrane and membrane process-a concept; metal extraction; kinetics of metal extraction; modeling the membrane contactor; and interfacial phenomenon-boundary conditions-applied to membrane transport.

  4. Modeling and parametric analysis of hollow fiber membrane system for carbon capture from multicomponent flue gas

    KAUST Repository

    Khalilpour, Rajab

    2011-08-12

    The modeling and optimal design/operation of gas membranes for postcombustion carbon capture (PCC) is presented. A systematic methodology is presented for analysis of membrane systems considering multicomponent flue gas with CO 2 as target component. Simplifying assumptions is avoided by namely multicomponent flue gas represented by CO 2/N 2 binary mixture or considering the co/countercurrent flow pattern of hollow-fiber membrane system as mixed flow. Optimal regions of flue gas pressures and membrane area were found within which a technoeconomical process system design could be carried out. High selectivity was found to not necessarily have notable impact on PCC membrane performance, rather, a medium selectivity combined with medium or high permeance could be more advantageous. © 2011 American Institute of Chemical Engineers (AIChE).

  5. Enhancement of the Computational Efficiency of Membrane Computing Models

    Science.gov (United States)

    2007-04-01

    Information Retrieval, SPIRE 2000, La Coruna, Spain, 64-74. [9] S.N. Krishna, R. Rama: P Systems with Replicated Rewriting. Journal of Automata Languages...Paraschiv. Membrane software. A P system simulator. Fundamental Informaticae , 49(13):61-66, 2002. [25] P. Fitzgibbons, D. Das, and T. Renz, “Bio...systems with worm-objects, IEEE 7th International Conference on String Processing and Information Retrieval, SPIRE, La Coruna, Spain, 2000, pp. 64

  6. Neutron diffraction studies of the interaction between amphotericin B and lipid-sterol model membranes

    Science.gov (United States)

    Foglia, Fabrizia; Lawrence, M. Jayne; Demeė, Bruno; Fragneto, Giovanna; Barlow, David

    2012-10-01

    Over the last 50 years or so, amphotericin has been widely employed in treating life-threatening systemic fungal infections. Its usefulness in the clinic, however, has always been circumscribed by its dose-limiting side-effects, and it is also now compromised by an increasing incidence of pathogen resistance. Combating these problems through development of new anti-fungal agents requires detailed knowledge of the drug's molecular mechanism, but unfortunately this is far from clear. Neutron diffraction studies of the drug's incorporation within lipid-sterol membranes have here been performed to shed light on this problem. The drug is shown to disturb the structures of both fungal and mammalian membranes, and co-localises with the membrane sterols in a manner consistent with trans-membrane pore formation. The differences seen in the membrane lipid ordering and in the distributions of the drug-ergosterol and drug-cholesterol complexes within the membranes are consistent with the drug's selectivity for fungal vs. human cells.

  7. Comparison of the Modeling Approach between Membrane Bioreactor and Conventional Activated Sludge Processes

    DEFF Research Database (Denmark)

    Jiang, Tao; Sin, Gürkan; Spanjers, Henri

    2009-01-01

    Activated sludge models (ASM) have been developed and largely applied in conventional activated sludge (CAS) systems. The applicability of ASM to model membrane bioreactors (MBR) and the differences in modeling approaches have not been studied in detail. A laboratory-scale MBR was modeled using ASM......2d. It was found that the ASM2d model structure can still be used for MBR modeling. There are significant differences related to ASM modeling. First, a lower maximum specific growth rate for MBR nitrifiers was estimated. Independent experiments demonstrated that this might be attributed...... to the inhibition effect of soluble microbial products (SMP) at elevated concentration. Second, a greater biomass affinity to oxygen and ammonium was found, which was probably related to smaller MBR sludge flocs. Finally, the membrane throughput during membrane backwashing/relaxation can be normalized...

  8. Using Trait-State Models to Evaluate the Longitudinal Consistency of Global Self-Esteem From Adolescence to Adulthood

    OpenAIRE

    Donnellan, M. Brent; Kenny, David A.; Trzesniewski, Kali H.; Lucas, Richard E.; Conger, Rand D.

    2012-01-01

    The present research used a latent variable trait-state model to evaluate the longitudinal consistency of self-esteem during the transition from adolescence to adulthood. Analyses were based on ten administrations of the Rosenberg Self-Esteem scale (Rosenberg, 1965) spanning the ages of approximately 13 to 32 for a sample of 451 participants. Results indicated that a completely stable trait factor and an autoregressive trait factor accounted for the majority of the variance in latent self-est...

  9. Determinants of consistent condom use among college students in China: application of the information-motivation-behavior skills (IMB) model.

    Science.gov (United States)

    Liu, Zhihao; Wei, Pingmin; Huang, Minghao; Liu, Yuan bao; Li, Lucy; Gong, Xiao; Chen, Juan; Li, Xiaoning

    2014-01-01

    Due to the increase incidents of premarital sex and the lack of reproductive health services, college students are at high risk of HIV/AIDS infections in China. This study was designed to examine the predictors of consistency of condom use among college students based on the Information-Motivation-Behavioral Skills (IMB) model and to describe the relationships between the model constructs. A cross-sectional study was conducted to assess HIV/AIDS related information, motivation, behavioral skills and preventive behavior among college students in five colleges and universities in Nanjing, China. An anonymous questionnaire survey was conducted for data collection, and the structural equation model (SEM) was used to assess the IMB model. A total of 3183 participants completed this study. The average age was 19.90 years (SD = 1.43, range 16 to 25). 342 (10.7%) participants of them reported having had premarital sex, among whom 30.7% reported having had a consistent condom use, 13.7% with the experience of abortion (including the participants whose sex partner has the same experience), 32.7% of participants had experience of multiple sex partners. The final IMB model provided acceptable fit to the data (CFI = 0.992, RMSEA = 0.028). Preventive behavior was significantly predicted by behavioral skills (β = 0.754, Pmotivation (β = 0.363, Pstudents in China. The main influencing factor of preventive behavior among college students is behavioral skills. Both information and motivation could affect preventive behavior through behavioral skills. Further research could develop preventive interventions based on the IMB model to promote consistent condom use among college students in China.

  10. Reconstruction of dynamic image series from undersampled MRI data using data-driven model consistency condition (MOCCO).

    Science.gov (United States)

    Velikina, Julia V; Samsonov, Alexey A

    2015-11-01

    To accelerate dynamic MR imaging through development of a novel image reconstruction technique using low-rank temporal signal models preestimated from training data. We introduce the model consistency condition (MOCCO) technique, which utilizes temporal models to regularize reconstruction without constraining the solution to be low-rank, as is performed in related techniques. This is achieved by using a data-driven model to design a transform for compressed sensing-type regularization. The enforcement of general compliance with the model without excessively penalizing deviating signal allows recovery of a full-rank solution. Our method was compared with a standard low-rank approach utilizing model-based dimensionality reduction in phantoms and patient examinations for time-resolved contrast-enhanced angiography (CE-MRA) and cardiac CINE imaging. We studied the sensitivity of all methods to rank reduction and temporal subspace modeling errors. MOCCO demonstrated reduced sensitivity to modeling errors compared with the standard approach. Full-rank MOCCO solutions showed significantly improved preservation of temporal fidelity and aliasing/noise suppression in highly accelerated CE-MRA (acceleration up to 27) and cardiac CINE (acceleration up to 15) data. MOCCO overcomes several important deficiencies of previously proposed methods based on pre-estimated temporal models and allows high quality image restoration from highly undersampled CE-MRA and cardiac CINE data. © 2014 Wiley Periodicals, Inc.

  11. Comparison of bootstrap current and plasma conductivity models applied in a self-consistent equilibrium calculation for Tokamak plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Andrade, Maria Celia Ramos; Ludwig, Gerson Otto [Instituto Nacional de Pesquisas Espaciais (INPE), Sao Jose dos Campos, SP (Brazil). Lab. Associado de Plasma]. E-mail: mcr@plasma.inpe.br

    2004-07-01

    Different bootstrap current formulations are implemented in a self-consistent equilibrium calculation obtained from a direct variational technique in fixed boundary tokamak plasmas. The total plasma current profile is supposed to have contributions of the diamagnetic, Pfirsch-Schlueter, and the neoclassical Ohmic and bootstrap currents. The Ohmic component is calculated in terms of the neoclassical conductivity, compared here among different expressions, and the loop voltage determined consistently in order to give the prescribed value of the total plasma current. A comparison among several bootstrap current models for different viscosity coefficient calculations and distinct forms for the Coulomb collision operator is performed for a variety of plasma parameters of the small aspect ratio tokamak ETE (Experimento Tokamak Esferico) at the Associated Plasma Laboratory of INPE, in Brazil. We have performed this comparison for the ETE tokamak so that the differences among all the models reported here, mainly regarding plasma collisionality, can be better illustrated. The dependence of the bootstrap current ratio upon some plasma parameters in the frame of the self-consistent calculation is also analysed. We emphasize in this paper what we call the Hirshman-Sigmar/Shaing model, valid for all collisionality regimes and aspect ratios, and a fitted formulation proposed by Sauter, which has the same range of validity but is faster to compute than the previous one. The advantages or possible limitations of all these different formulations for the bootstrap current estimate are analysed throughout this work. (author)

  12. Parameter estimation in neuronal stochastic differential equation models from intracellular recordings of membrane potentials in single neurons

    DEFF Research Database (Denmark)

    Ditlevsen, Susanne; Samson, Adeline

    2016-01-01

    Dynamics of the membrane potential in a single neuron can be studied by estimating biophysical parameters from intracellular recordings. Diffusion processes, given as continuous solutions to stochastic differential equations, are widely applied as models for the neuronal membrane potential evolut...

  13. Testing the limits of model membrane simulations-bilayer composition and pressure scaling.

    Science.gov (United States)

    Ivanova, Nikoleta; Ivanova, Anela

    2018-03-30

    Studying transfer of bioactive compounds across cell membranes by simulations attracts growing attention. To perform such calculations accurately, it is necessary to verify the validity of computational protocols established for description of unperturbed lipid bilayers also with translocating substances present. The current work reports the results from 1 μs long atomistic molecular dynamics simulations of two types of model plasma membranes-one built of a single phospholipid (DPPC) and one constructed of four types of phospholipids-in the presence of a drug-peptide complex experimentally known to cross cell membranes. The influence of membrane composition and of applied pressure scaling algorithm on the simulations outcome is analyzed with particular focus on membrane structure and on complex-lipid interactions during the initial penetration stage. It is found that the mixed composition of the membrane is important for correct assessment of the interactions with the complex both from purely structural perspective and because of the uneven charge distribution. The structure of the mixed lipid bilayer is affected more markedly by the pressure scaling algorithm. When the pressure is isotropically scaled, lipids are distributed almost homogeneously along the membrane in liquid ordered state. On semi-isotropic scaling, the lipid tails undergo significant rearrangement and a long-range ordered state is established. This results in "freezing" of the membrane and expulsion of the complex. The statistical analysis of the MD data points to the conclusion that a mixed-lipid membrane model with isotropic pressure scaling would be more suitable for describing the process of complex translocation across neoplastic membranes. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  14. A study of the isobutane dehydrogenation in a porous membrane catalytic reactor: design, use and modelling

    Energy Technology Data Exchange (ETDEWEB)

    Casanave, D.

    1996-01-26

    The aim of this study was to set up and model a catalytic fixed-bed membrane reactor for the isobutane dehydrogenation. The catalyst, developed at Catalysis Research Institute (IRC), was a silicalite-supported Pt-based catalyst. Their catalytic performances (activity, selectivity, stability) where found better adapted to the membrane reactor, when compared with commercial Pt or Cr based catalysts. The kinetic study of the reaction has been performed in a differential reactor and led to the determination of a kinetic law, suitable when the catalyst is used near thermodynamic equilibrium. The mass transfer mechanisms were determined in meso-porous and microporous membranes through both permeability and gas mixtures (iC{sub 4}/H{sub 2}/N{sub 2}) separation measurements. For the meso-porous {gamma}-alumina, the mass transfer is ensured by a Knudsen diffusion mechanism which can compete with surface diffusion for condensable gas like isobutane. The resulting permselectivity H{sub 2}/iC4 of this membrane is low ({approx} 4). For the microporous zeolite membrane, molecular sieving occurs due to steric hindrance, leading to higher permselectivity {approx}14. Catalyst/membrane associations were compared in terms of isobutane dehydrogenation performances, for both types of membranes (meso-porous and microporous) and for two different reactor configurations (co-current and counter-current sweep gas flow). The best experimental results were obtained with the zeolite membrane, when sweeping the outer compartment in a co-current flow. The equilibrium displacement observed with the {gamma}-alumina membrane was lower and mainly due to a dilution effect of the reaction mixture by the sweep gas. A mathematical model was developed, which correctly describes all the experimental results obtained with the zeolite membrane, when the co-current mode is used. (Abstract Truncated)

  15. Investigation of membrane mechanics using spring networks: application to red-blood-cell modelling.

    Science.gov (United States)

    Chen, Mingzhu; Boyle, Fergal J

    2014-10-01

    In recent years a number of red-blood-cell (RBC) models have been proposed using spring networks to represent the RBC membrane. Some results predicted by these models agree well with experimental measurements. However, the suitability of these membrane models has been questioned. The RBC membrane, like a continuum membrane, is mechanically isotropic throughout its surface, but the mechanical properties of a spring network vary on the network surface and change with deformation. In this work spring-network mechanics are investigated in large deformation for the first time via an assessment of the effect of network parameters, i.e. network mesh, spring type and surface constraint. It is found that a spring network is conditionally equivalent to a continuum membrane. In addition, spring networks are employed for RBC modelling to replicate the optical tweezers test. It is found that a spring network is sufficient for modelling the RBC membrane but strain-hardening springs are required. Moreover, the deformation profile of a spring network is presented for the first time via the degree of shear. It is found that spring-network deformation approaches continuous as the mesh density increases. Copyright © 2014 Elsevier B.V. All rights reserved.

  16. A stock-flow consistent input-output model with applications to energy price shocks, interest rates, and heat emissions

    Science.gov (United States)

    Berg, Matthew; Hartley, Brian; Richters, Oliver

    2015-01-01

    By synthesizing stock-flow consistent models, input-output models, and aspects of ecological macroeconomics, a method is developed to simultaneously model monetary flows through the financial system, flows of produced goods and services through the real economy, and flows of physical materials through the natural environment. This paper highlights the linkages between the physical environment and the economic system by emphasizing the role of the energy industry. A conceptual model is developed in general form with an arbitrary number of sectors, while emphasizing connections with the agent-based, econophysics, and complexity economics literature. First, we use the model to challenge claims that 0% interest rates are a necessary condition for a stationary economy and conduct a stability analysis within the parameter space of interest rates and consumption parameters of an economy in stock-flow equilibrium. Second, we analyze the role of energy price shocks in contributing to recessions, incorporating several propagation and amplification mechanisms. Third, implied heat emissions from energy conversion and the effect of anthropogenic heat flux on climate change are considered in light of a minimal single-layer atmosphere climate model, although the model is only implicitly, not explicitly, linked to the economic model.

  17. Determinants of consistent condom use among college students in China: application of the information-motivation-behavior skills (IMB model.

    Directory of Open Access Journals (Sweden)

    Zhihao Liu

    Full Text Available BACKGROUND: Due to the increase incidents of premarital sex and the lack of reproductive health services, college students are at high risk of HIV/AIDS infections in China. This study was designed to examine the predictors of consistency of condom use among college students based on the Information-Motivation-Behavioral Skills (IMB model and to describe the relationships between the model constructs. METHODS: A cross-sectional study was conducted to assess HIV/AIDS related information, motivation, behavioral skills and preventive behavior among college students in five colleges and universities in Nanjing, China. An anonymous questionnaire survey was conducted for data collection, and the structural equation model (SEM was used to assess the IMB model. RESULTS: A total of 3183 participants completed this study. The average age was 19.90 years (SD = 1.43, range 16 to 25. 342 (10.7% participants of them reported having had premarital sex, among whom 30.7% reported having had a consistent condom use, 13.7% with the experience of abortion (including the participants whose sex partner has the same experience, 32.7% of participants had experience of multiple sex partners. The final IMB model provided acceptable fit to the data (CFI = 0.992, RMSEA = 0.028. Preventive behavior was significantly predicted by behavioral skills (β = 0.754, P<0.001. Information (β = 0.138, P<0.001 and motivation (β = 0.363, P<0.001 were indirectly affected preventive behavior, and was mediated through behavioral skills. CONCLUSIONS: The results of the study demonstrate the utility of the IMB model for consistent condom use among college students in China. The main influencing factor of preventive behavior among college students is behavioral skills. Both information and motivation could affect preventive behavior through behavioral skills. Further research could develop preventive interventions based on the IMB model to promote consistent condom

  18. Molecular dynamics study of lipid bilayers modeling the plasma membranes of mouse hepatocytes and hepatomas.

    Science.gov (United States)

    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.

  19. Model-Based Control of a Continuous Coating Line for Proton Exchange Membrane Fuel Cell Electrode Assembly

    Directory of Open Access Journals (Sweden)

    Vikram Devaraj

    2015-01-01

    Full Text Available The most expensive component of a fuel cell is the membrane electrode assembly (MEA, which consists of an ionomer membrane coated with catalyst material. Best-performing MEAs are currently fabricated by depositing and drying liquid catalyst ink on the membrane; however, this process is limited to individual preparation by hand due to the membrane’s rapid water absorption that leads to shape deformation and coating defects. A continuous coating line can reduce the cost and time needed to fabricate the MEA, incentivizing the commercialization and widespread adoption of fuel cells. A pilot-scale membrane coating line was designed for such a task and is described in this paper. Accurate process control is necessary to prevent manufacturing defects from occurring in the coating line. A linear-quadratic-Gaussian (LQG controller was developed based on a physics-based model of the coating process to optimally control the temperature and humidity of the drying zones. The process controller was implemented in the pilot-scale coating line proving effective in preventing defects.

  20. High pressure modulated transport and signaling functions of membrane proteins in models and in vivo

    International Nuclear Information System (INIS)

    Vogel, R F; Linke, K; Teichert, H; Ehrmann, M A

    2008-01-01

    Cellular membranes serve in the separation of compartments, recognition of the environment, selective transport and signal transduction. Membrane lipids and membrane proteins play distinct roles in these processes, which are affected by environmental chemical (e. g. pH) or physical (e. g. pressure and temperature) changes. High hydrostatic pressure (HHP) affects fluidity and integrity of bacterial membranes instantly during the ramp, resulting in a loss of membrane potential and vital membrane protein functions. We have used the multiple drug transporter LmrA from Lactococcus lactis and ToxR, a membrane protein sensor from Photobacterium profundum, a deep-sea bacterium, and Vibrio cholerae to study membrane protein interaction and functionality in proteolioposomes and by the use of in vivo reporter systems, respectively. Both proteins require dimerization in the phospholipid bilayer for their functionality, which was favoured in the liquid crystalline lipid phase with ToxR and LmrA. Whereas LmrA, which resides in liposomes consisting of DMPC, DMPC/cholesterol or natural lipids, lost its ATPase activity above 20 or 40 MPa, it maintained its active dimeric structure in DOPC/DPPC/cholesterol liposomes up to 120 MPa. By using a specific indicator strain in which the dimerisation of ToxR initiates the transcription of lacZ it was demonstrated, that the amino acid sequence of the transmembrane domain influences HHP stability of ToxR dimerization in vivo. Thus, both the lipid structure and the nature of the protein affect membrane protein interaction. It is suggested that the protein structure determines basic functionality, e.g. principle ability or kinetics to dimerize to a functional complex, while the lipid environment modulates this property

  1. High pressure modulated transport and signaling functions of membrane proteins in models and in vivo

    Energy Technology Data Exchange (ETDEWEB)

    Vogel, R F; Linke, K; Teichert, H; Ehrmann, M A [Technische Universitaet Muenchen, Technische Mikrobiologie, Weihenstephaner Steig 16, 85350 Freising (Germany)], E-mail: rudi.vogel@wzw.tum.de

    2008-07-15

    Cellular membranes serve in the separation of compartments, recognition of the environment, selective transport and signal transduction. Membrane lipids and membrane proteins play distinct roles in these processes, which are affected by environmental chemical (e. g. pH) or physical (e. g. pressure and temperature) changes. High hydrostatic pressure (HHP) affects fluidity and integrity of bacterial membranes instantly during the ramp, resulting in a loss of membrane potential and vital membrane protein functions. We have used the multiple drug transporter LmrA from Lactococcus lactis and ToxR, a membrane protein sensor from Photobacterium profundum, a deep-sea bacterium, and Vibrio cholerae to study membrane protein interaction and functionality in proteolioposomes and by the use of in vivo reporter systems, respectively. Both proteins require dimerization in the phospholipid bilayer for their functionality, which was favoured in the liquid crystalline lipid phase with ToxR and LmrA. Whereas LmrA, which resides in liposomes consisting of DMPC, DMPC/cholesterol or natural lipids, lost its ATPase activity above 20 or 40 MPa, it maintained its active dimeric structure in DOPC/DPPC/cholesterol liposomes up to 120 MPa. By using a specific indicator strain in which the dimerisation of ToxR initiates the transcription of lacZ it was demonstrated, that the amino acid sequence of the transmembrane domain influences HHP stability of ToxR dimerization in vivo. Thus, both the lipid structure and the nature of the protein affect membrane protein interaction. It is suggested that the protein structure determines basic functionality, e.g. principle ability or kinetics to dimerize to a functional complex, while the lipid environment modulates this property.

  2. High pressure modulated transport and signaling functions of membrane proteins in models and in vivo

    Science.gov (United States)

    Vogel, R. F.; Linke, K.; Teichert, H.; Ehrmann, M. A.

    2008-07-01

    Cellular membranes serve in the separation of compartments, recognition of the environment, selective transport and signal transduction. Membrane lipids and membrane proteins play distinct roles in these processes, which are affected by environmental chemical (e. g. pH) or physical (e. g. pressure and temperature) changes. High hydrostatic pressure (HHP) affects fluidity and integrity of bacterial membranes instantly during the ramp, resulting in a loss of membrane potential and vital membrane protein functions. We have used the multiple drug transporter LmrA from Lactococcus lactis and ToxR, a membrane protein sensor from Photobacterium profundum, a deep-sea bacterium, and Vibrio cholerae to study membrane protein interaction and functionality in proteolioposomes and by the use of in vivo reporter systems, respectively. Both proteins require dimerization in the phospholipid bilayer for their functionality, which was favoured in the liquid crystalline lipid phase with ToxR and LmrA. Whereas LmrA, which resides in liposomes consisting of DMPC, DMPC/cholesterol or natural lipids, lost its ATPase activity above 20 or 40 MPa, it maintained its active dimeric structure in DOPC/DPPC/cholesterol liposomes up to 120 MPa. By using a specific indicator strain in which the dimerisation of ToxR initiates the transcription of lacZ it was demonstrated, that the amino acid sequence of the transmembrane domain influences HHP stability of ToxR dimerization in vivo. Thus, both the lipid structure and the nature of the protein affect membrane protein interaction. It is suggested that the protein structure determines basic functionality, e.g. principle ability or kinetics to dimerize to a functional complex, while the lipid environment modulates this property.

  3. Self-consistent Non-LTE Model of Infrared Molecular Emissions and Oxygen Dayglows in the Mesosphere and Lower Thermosphere

    Science.gov (United States)

    Feofilov, Artem G.; Yankovsky, Valentine A.; Pesnell, William D.; Kutepov, Alexander A.; Goldberg, Richard A.; Mauilova, Rada O.

    2007-01-01

    We present the new version of the ALI-ARMS (for Accelerated Lambda Iterations for Atmospheric Radiation and Molecular Spectra) model. The model allows simultaneous self-consistent calculating the non-LTE populations of the electronic-vibrational levels of the O3 and O2 photolysis products and vibrational level populations of CO2, N2,O2, O3, H2O, CO and other molecules with detailed accounting for the variety of the electronic-vibrational, vibrational-vibrational and vibrational-translational energy exchange processes. The model was used as the reference one for modeling the O2 dayglows and infrared molecular emissions for self-consistent diagnostics of the multi-channel space observations of MLT in the SABER experiment It also allows reevaluating the thermalization efficiency of the absorbed solar ultraviolet energy and infrared radiative cooling/heating of MLT by detailed accounting of the electronic-vibrational relaxation of excited photolysis products via the complex chain of collisional energy conversion processes down to the vibrational energy of optically active trace gas molecules.

  4. A consistent framework for modeling inorganic pesticides: Adaptation of life cycle inventory models to metal-base pesticides

    DEFF Research Database (Denmark)

    Peña, N.A.; Anton, A.; Fantke, Peter

    2016-01-01

    Quantifying over the life cycle of a product or service the chemical emissions to the environment in the life cycle inventory (LCI) phase is typically based on generic assumptions. Regarding the LCI application to agricultural systems the estimation of pesticide emissions is often based on standard......, and it will influence the outcomes of the impact profile. The pesticide emission model PestLCI 2.0 is the most advanced currently available inventory model for LCA intended to provide an estimation of organic pesticide emission fractions to the environment. We use this model as starting point for quantifying emission...... estimate metal-specific pesticide emission fractions, addressing the issue of inorganic pesticides for inventory analysis in LCA of agricultural systems....

  5. Development of a dynamic model for cleaning ultra filtration membranes fouled by surface water

    NARCIS (Netherlands)

    Zondervan, E.; Betlem, Bernardus H.L.; Roffel, B.

    2007-01-01

    In this paper, a dynamic model for cleaning ultra filtration membranes fouled by surface water is proposed. A model that captures the dynamics well is valuable for the optimization of the cleaning process. The proposed model is based on component balances and contains three parameters that can be

  6. Model studies of lipid flip-flop in membranes

    DEFF Research Database (Denmark)

    Parisio, Giulia; Ferrarini, Alberta; Sperotto, Maria Maddalena

    2016-01-01

    , and growth heavily depend. Such transverse motion—commonly called flip-flop—has been studied both experimentally and computationally. Experimental investigations face difficulties related to time-scales and probe-induced membrane perturbation issues. Molecular dynamics simulations play an important role...... for the molecular-level understanding of flip-flop. In this review we present a summary of the state of the art of computational studies of spontaneous flip-flop of phospholipids, sterols and fatty acids. Also, we highlight critical issues and strategies that have been developed to solve them, and what remains...

  7. Modeling of air-gap membrane distillation process: A theoretical and experimental study

    KAUST Repository

    Alsaadi, Ahmad Salem

    2013-06-03

    A one dimensional (1-D) air gap membrane distillation (AGMD) model for flat sheet type modules has been developed. This model is based on mathematical equations that describe the heat and mass transfer mechanisms of a single-stage AGMD process. It can simulate AGMD modules in both co-current and counter-current flow regimes. The theoretical model was validated using AGMD experimental data obtained under different operating conditions and parameters. The predicted water vapor flux was compared to the flux measured at five different feed water temperatures, two different feed water salinities, three different air gap widths and two MD membranes with different average pore sizes. This comparison showed that the model flux predictions are strongly correlated with the experimental data, with model predictions being within +10% of the experimentally determined values. The model was then used to study and analyze the parameters that have significant effect on scaling-up the AGMD process such as the effect of increasing the membrane length, and feed and coolant flow rates. The model was also used to analyze the maximum thermal efficiency of the AGMD process by tracing changes in water production rate and the heat input to the process along the membrane length. This was used to understand the gain in both process production and thermal efficiency for different membrane surface areas and the resultant increases in process capital and water unit cost. © 2013 Elsevier B.V.

  8. Modelling and sequential simulation of multi-tubular metallic membrane and techno-economics of a hydrogen production process employing thin-layer membrane reactor

    KAUST Repository

    Shafiee, Alireza

    2016-09-24

    A theoretical model for multi-tubular palladium-based membrane is proposed in this paper and validated against experimental data for two different sized membrane modules that operate at high temperatures. The model is used in a sequential simulation format to describe and analyse pure hydrogen and hydrogen binary mixture separations, and then extended to simulate an industrial scale membrane unit. This model is used as a sub-routine within an ASPEN Plus model to simulate a membrane reactor in a steam reforming hydrogen production plant. A techno-economic analysis is then conducted using the validated model for a plant producing 300 TPD of hydrogen. The plant utilises a thin (2.5 μm) defect-free and selective layer (Pd75Ag25 alloy) membrane reactor. The economic sensitivity analysis results show usefulness in finding the optimum operating condition that achieves minimum hydrogen production cost at break-even point. A hydrogen production cost of 1.98 $/kg is estimated while the cost of the thin-layer selective membrane is found to constitute 29% of total process capital cost. These results indicate the competiveness of this thin-layer membrane process against conventional methods of hydrogen production. © 2016 Hydrogen Energy Publications LLC

  9. Electrical Thermal Network for Direct Contact Membrane Distillation Modeling and Analysis

    KAUST Repository

    Karam, Ayman M.

    2015-02-04

    Membrane distillation is an emerging water distillation technology that offers several advantages compared to conventional water desalination processes. Although progress has been made to model and understand the physics of the process, many studies are based on steady-state assumptions or are computationally not appropriate for real time control. This paper presents the derivation of a novel dynamical model, based on analogy between electrical and thermal systems, for direct contact membrane distillation (DCMD). The proposed model captures the dynamics of temperature distribution and distilled water flux. To demonstrate the adequacy of the proposed model, validation with transient and steady-state experimental data is presented.

  10. Multi-model comparison highlights consistency in predicted effect of warming on a semi-arid shrub

    Science.gov (United States)

    Renwick, Katherine M.; Curtis, Caroline; Kleinhesselink, Andrew R.; Schlaepfer, Daniel R.; Bradley, Bethany A.; Aldridge, Cameron L.; Poulter, Benjamin; Adler, Peter B.

    2018-01-01

    A number of modeling approaches have been developed to predict the impacts of climate change on species distributions, performance, and abundance. The stronger the agreement from models that represent different processes and are based on distinct and independent sources of information, the greater the confidence we can have in their predictions. Evaluating the level of confidence is particularly important when predictions are used to guide conservation or restoration decisions. We used a multi-model approach to predict climate change impacts on big sagebrush (Artemisia tridentata), the dominant plant species on roughly 43 million hectares in the western United States and a key resource for many endemic wildlife species. To evaluate the climate sensitivity of A. tridentata, we developed four predictive models, two based on empirically derived spatial and temporal relationships, and two that applied mechanistic approaches to simulate sagebrush recruitment and growth. This approach enabled us to produce an aggregate index of climate change vulnerability and uncertainty based on the level of agreement between models. Despite large differences in model structure, predictions of sagebrush response to climate change were largely consistent. Performance, as measured by change in cover, growth, or recruitment, was predicted to decrease at the warmest sites, but increase throughout the cooler portions of sagebrush's range. A sensitivity analysis indicated that sagebrush performance responds more strongly to changes in temperature than precipitation. Most of the uncertainty in model predictions reflected variation among the ecological models, raising questions about the reliability of forecasts based on a single modeling approach. Our results highlight the value of a multi-model approach in forecasting climate change impacts and uncertainties and should help land managers to maximize the value of conservation investments.

  11. Predicting knee replacement damage in a simulator machine using a computational model with a consistent wear factor.

    Science.gov (United States)

    Zhao, Dong; Sakoda, Hideyuki; Sawyer, W Gregory; Banks, Scott A; Fregly, Benjamin J

    2008-02-01

    Wear of ultrahigh molecular weight polyethylene remains a primary factor limiting the longevity of total knee replacements (TKRs). However, wear testing on a simulator machine is time consuming and expensive, making it impractical for iterative design purposes. The objectives of this paper were first, to evaluate whether a computational model using a wear factor consistent with the TKR material pair can predict accurate TKR damage measured in a simulator machine, and second, to investigate how choice of surface evolution method (fixed or variable step) and material model (linear or nonlinear) affect the prediction. An iterative computational damage model was constructed for a commercial knee implant in an AMTI simulator machine. The damage model combined a dynamic contact model with a surface evolution model to predict how wear plus creep progressively alter tibial insert geometry over multiple simulations. The computational framework was validated by predicting wear in a cylinder-on-plate system for which an analytical solution was derived. The implant damage model was evaluated for 5 million cycles of simulated gait using damage measurements made on the same implant in an AMTI machine. Using a pin-on-plate wear factor for the same material pair as the implant, the model predicted tibial insert wear volume to within 2% error and damage depths and areas to within 18% and 10% error, respectively. Choice of material model had little influence, while inclusion of surface evolution affected damage depth and area but not wear volume predictions. Surface evolution method was important only during the initial cycles, where variable step was needed to capture rapid geometry changes due to the creep. Overall, our results indicate that accurate TKR damage predictions can be made with a computational model using a constant wear factor obtained from pin-on-plate tests for the same material pair, and furthermore, that surface evolution method matters only during the initial

  12. Thermodynamically consistent modeling and simulation of multi-component two-phase flow model with partial miscibility

    KAUST Repository

    Kou, Jisheng

    2016-11-25

    A general diffuse interface model with a realistic equation of state (e.g. Peng-Robinson equation of state) is proposed to describe the multi-component two-phase fluid flow based on the principles of the NVT-based framework which is a latest alternative over the NPT-based framework to model the realistic fluids. The proposed model uses the Helmholtz free energy rather than Gibbs free energy in the NPT-based framework. Different from the classical routines, we combine the first law of thermodynamics and related thermodynamical relations to derive the entropy balance equation, and then we derive a transport equation of the Helmholtz free energy density. Furthermore, by using the second law of thermodynamics, we derive a set of unified equations for both interfaces and bulk phases that can describe the partial miscibility of two fluids. A relation between the pressure gradient and chemical potential gradients is established, and this relation leads to a new formulation of the momentum balance equation, which demonstrates that chemical potential gradients become the primary driving force of fluid motion. Moreover, we prove that the proposed model satisfies the total (free) energy dissipation with time. For numerical simulation of the proposed model, the key difficulties result from the strong nonlinearity of Helmholtz free energy density and tight coupling relations between molar densities and velocity. To resolve these problems, we propose a novel convex-concave splitting of Helmholtz free energy density and deal well with the coupling relations between molar densities and velocity through very careful physical observations with a mathematical rigor. We prove that the proposed numerical scheme can preserve the discrete (free) energy dissipation. Numerical tests are carried out to verify the effectiveness of the proposed method.

  13. Using Trait-State Models to Evaluate the Longitudinal Consistency of Global Self-Esteem From Adolescence to Adulthood

    Science.gov (United States)

    Donnellan, M. Brent; Kenny, David A.; Trzesniewski, Kali H.; Lucas, Richard E.; Conger, Rand D.

    2012-01-01

    The present research used a latent variable trait-state model to evaluate the longitudinal consistency of self-esteem during the transition from adolescence to adulthood. Analyses were based on ten administrations of the Rosenberg Self-Esteem scale (Rosenberg, 1965) spanning the ages of approximately 13 to 32 for a sample of 451 participants. Results indicated that a completely stable trait factor and an autoregressive trait factor accounted for the majority of the variance in latent self-esteem assessments, whereas state factors accounted for about 16% of the variance in repeated assessments of latent self-esteem. The stability of individual differences in self-esteem increased with age consistent with the cumulative continuity principle of personality development. PMID:23180899

  14. Modeling error and stability of endothelial cytoskeletal membrane parameters based on modeling transendothelial impedance as resistor and capacitor in series.

    Science.gov (United States)

    Bodmer, James E; English, Anthony; Brady, Megan; Blackwell, Ken; Haxhinasto, Kari; Fotedar, Sunaina; Borgman, Kurt; Bai, Er-Wei; Moy, Alan B

    2005-09-01

    Transendothelial impedance across an endothelial monolayer grown on a microelectrode has previously been modeled as a repeating pattern of disks in which the electrical circuit consists of a resistor and capacitor in series. Although this numerical model breaks down barrier function into measurements of cell-cell adhesion, cell-matrix adhesion, and membrane capacitance, such solution parameters can be inaccurate without understanding model stability and error. In this study, we have evaluated modeling stability and error by using a chi(2) evaluation and Levenberg-Marquardt nonlinear least-squares (LM-NLS) method of the real and/or imaginary data in which the experimental measurement is compared with the calculated measurement derived by the model. Modeling stability and error were dependent on current frequency and the type of experimental data modeled. Solution parameters of cell-matrix adhesion were most susceptible to modeling instability. Furthermore, the LM-NLS method displayed frequency-dependent instability of the solution parameters, regardless of whether the real or imaginary data were analyzed. However, the LM-NLS method identified stable and reproducible solution parameters between all types of experimental data when a defined frequency spectrum of the entire data set was selected on the basis of a criterion of minimizing error. The frequency bandwidth that produced stable solution parameters varied greatly among different data types. Thus a numerical model based on characterizing transendothelial impedance as a resistor and capacitor in series and as a repeating pattern of disks is not sufficient to characterize the entire frequency spectrum of experimental transendothelial impedance.

  15. Development of a simple force prediction model and consistency assessment of knee movements in ten-pin bowling

    Directory of Open Access Journals (Sweden)

    Li-Cheng Hsieh

    2012-08-01

    Full Text Available The aim of this research is to use LabVIEW to help bowlers understand theirjoint movements, forces acting on their joints, and the consistency of their knee movements while competing in ten-pin bowling. Kinetic and kinematic data relating to the lower limbs were derived from bowlers’ joint angles and the joint forces were calculated from the Euler angles using the inverse dynamics method with Newton-Euler equations. An artificial-neural-network (ANN-based data-driven model for predicting knee forces using the Euler angles was developed. This approach allows for the collection of data inbowling alleys without the use of force plates. Correlation coefficients were computed after ANN training and all values exceeded 0.9. This result implies a strong correlation between the joint angles and forces. Furthermore, the predicted 3D forces (obtained from ANN simulations and the measured forces (obtained from force plates via the inverse dynamics method are strongly correlated. The agreement between the predicted andmeasured forces was evaluated by the coefficient of determination (R2, which reflects the bowler’s consistency and steadiness of the bowling motion at the knee. The R2 value was beneficial in assessing the consistency of the bowling motion. An R2 value close to 1 implies a more consistent sliding motion. This research enables the prediction of the forceson the knee during ten-pin bowling by ANN simulations using the measured knee angles. Consequently, coaches and bowlers can use the developed ANN model and the analysis module to improve bowling motion.

  16. Polyamide Thin-Film Composite Membranes for Potential Raw Biogas Purification: Experiments and Modelling.

    Czech Academy of Sciences Publication Activity Database

    Šimčík, Miroslav; Růžička, Marek; Kárászová, Magda; Sedláková, Zuzana; Vejražka, Jiří; Veselý, M.; Čapek, P.; Friess, K.; Izák, Pavel

    2016-01-01

    Roč. 167, JUL 14 (2016), s. 163-173 ISSN 1383-5866 R&D Projects: GA ČR GA14-12695S; GA TA ČR TE01020080; GA MŠk(CZ) LD13018; GA MŠk LH14006 Institutional support: RVO:67985858 Keywords : thin film composite membrane * biogas membrane separation * transport model ing Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 3.359, year: 2016

  17. Polyamide Thin-Film Composite Membranes for Potential Raw Biogas Purification: Experiments and Modelling.

    Czech Academy of Sciences Publication Activity Database

    Šimčík, Miroslav; Růžička, Marek; Kárászová, Magda; Sedláková, Zuzana; Vejražka, Jiří; Veselý, M.; Čapek, P.; Friess, K.; Izák, Pavel

    2016-01-01

    Roč. 167, JUL 14 (2016), s. 163-173 ISSN 1383-5866 R&D Projects: GA ČR GA14-12695S; GA TA ČR TE01020080; GA MŠk(CZ) LD13018; GA MŠk LH14006 Institutional support: RVO:67985858 Keywords : thin film composite membrane * biogas membrane separation * transport modeling Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 3.359, year: 2016

  18. Function and failure of the fetal membrane: Modelling the mechanics of the chorion and amnion.

    Directory of Open Access Journals (Sweden)

    Stefaan W Verbruggen

    Full Text Available The fetal membrane surrounds the fetus during pregnancy and is a thin tissue composed of two layers, the chorion and the amnion. While rupture of this membrane normally occurs at term, preterm rupture can result in increased risk of fetal mortality and morbidity, as well as danger of infection in the mother. Although structural changes have been observed in the membrane in such cases, the mechanical behaviour of the human fetal membrane in vivo remains poorly understood and is challenging to investigate experimentally. Therefore, the objective of this study was to develop simplified finite element models to investigate the mechanical behaviour and rupture of the fetal membrane, particularly its constituent layers, under various physiological conditions. It was found that modelling the chorion and amnion as a single layer predicts remarkably different behaviour compared with a more anatomically-accurate bilayer, significantly underestimating stress in the amnion and under-predicting the risk of membrane rupture. Additionally, reductions in chorion-amnion interface lubrication and chorion thickness (reported in cases of preterm rupture both resulted in increased membrane stress. Interestingly, the inclusion of a weak zone in the fetal membrane that has been observed to develop overlying the cervix would likely cause it to fail at term, during labour. Finally, these findings support the theory that the amnion is the dominant structural component of the fetal membrane and is required to maintain its integrity. The results provide a novel insight into the mechanical effect of structural changes in the chorion and amnion, in cases of both normal and preterm rupture.

  19. Empirical phylogenies and species abundance distributions are consistent with pre-equilibrium dynamics of neutral community models with gene flow

    KAUST Repository

    Bonnet-Lebrun, Anne-Sophie

    2017-03-17

    Community characteristics reflect past ecological and evolutionary dynamics. Here, we investigate whether it is possible to obtain realistically shaped modelled communities - i.e., with phylogenetic trees and species abundance distributions shaped similarly to typical empirical bird and mammal communities - from neutral community models. To test the effect of gene flow, we contrasted two spatially explicit individual-based neutral models: one with protracted speciation, delayed by gene flow, and one with point mutation speciation, unaffected by gene flow. The former produced more realistic communities (shape of phylogenetic tree and species-abundance distribution), consistent with gene flow being a key process in macro-evolutionary dynamics. Earlier models struggled to capture the empirically observed branching tempo in phylogenetic trees, as measured by the gamma statistic. We show that the low gamma values typical of empirical trees can be obtained in models with protracted speciation, in pre-equilibrium communities developing from an initially abundant and widespread species. This was even more so in communities sampled incompletely, particularly if the unknown species are the youngest. Overall, our results demonstrate that the characteristics of empirical communities that we have studied can, to a large extent, be explained through a purely neutral model under pre-equilibrium conditions. This article is protected by copyright. All rights reserved.

  20. Development of a Consistent GIS Based Method for Estimating the Groundwater Runoff Parameter for Regional Scale Precipitation-Runoff Models

    Science.gov (United States)

    Bjerklie, D. M.

    2014-12-01

    As part of a U. S. Geological Survey effort to (1) estimate river discharge in ungaged basins, (2) understand runoff quantity and timing for watersheds between gaging stations, and (3) estimate potential future streamflow, a national scale precipitation runoff model is in development. The effort uses the USGS Precipitation Runoff Modeling System (PRMS) model. The model development strategy includes methods to assign hydrologic routing coefficients a priori from national scale GIS data bases. Once developed, the model can serve as an initial baseline for more detailed and locally/regionally calibrated models designed for specific projects and purposes. One of the key hydrologic routing coefficients is the groundwater coefficient (gw_coef). This study estimates the gw_coef from continental US GIS data, including geology, drainage density, aquifer type, vegetation type, and baseflow index information. The gw_coef is applied in regional PRMS models and is estimated using two methods. The first method uses a statistical model to predict the gw_coef from weighted average values of surficial geologic materials, dominant aquifer type, baseflow index, vegetation type, and the drainage density. The second method computes the gw_coef directly from the physical conditions in the watershed including the percentage geologic material and the drainage density. The two methods are compared against the gw_coef derived from streamflow records, and tested for selected rivers in different regions of the country. To address the often weak correlation between geology and baseflow, the existence of groundwater sinks, and complexities of groundwater flow paths, the spatial characteristics of the gw_coef prediction error were evaluated, and a correction factor developed from the spatial error distribution. This provides a consistent and improved method to estimate the gw_coef for regional PRMS models that is derived from available GIS data and physical information for watersheds.

  1. Modeling of the axon membrane skeleton structure and implications for its mechanical properties.

    Directory of Open Access Journals (Sweden)

    Yihao Zhang

    2017-02-01

    Full Text Available Super-resolution microscopy recently revealed that, unlike the soma and dendrites, the axon membrane skeleton is structured as a series of actin rings connected by spectrin filaments that are held under tension. Currently, the structure-function relationship of the axonal structure is unclear. Here, we used atomic force microscopy (AFM to show that the stiffness of the axon plasma membrane is significantly higher than the stiffnesses of dendrites and somata. To examine whether the structure of the axon plasma membrane determines its overall stiffness, we introduced a coarse-grain molecular dynamics model of the axon membrane skeleton that reproduces the structure identified by super-resolution microscopy. Our proposed computational model accurately simulates the median value of the Young's modulus of the axon plasma membrane determined by atomic force microscopy. It also predicts that because the spectrin filaments are under entropic tension, the thermal random motion of the voltage-gated sodium channels (Nav, which are bound to ankyrin particles, a critical axonal protein, is reduced compared to the thermal motion when spectrin filaments are held at equilibrium. Lastly, our model predicts that because spectrin filaments are under tension, any axonal injuries that lacerate spectrin filaments will likely lead to a permanent disruption of the membrane skeleton due to the inability of spectrin filaments to spontaneously form their initial under-tension configuration.

  2. Modelling a full scale membrane bioreactor using Activated Sludge Model No.1: challenges and solutions.

    Science.gov (United States)

    Delrue, F; Choubert, J M; Stricker, A E; Spérandio, M; Mietton-Peuchot, M; Racault, Y

    2010-01-01

    A full-scale membrane bioreactor (1,600 m(3) d(-1)) was monitored for modelling purposes during the summer of 2006. A complete calibration of the ASM1 model is presented, in which the key points were the wastewater characterisation, the oxygen transfer and the biomass kinetics. Total BOD tests were not able to correctly estimate the biodegradable fraction of the wastewater. Therefore the wastewater fractionation was identified by adjusting the simulated sludge production rate to the measured value. MLVSS and MLSS were accurately predicted during both calibration and validation periods (20 and 30 days). Because the membranes were immerged in the aeration tank, the coarse bubble and fine bubble diffusion systems coexisted in the same tank. This allowed five different aeration combinations, depending whether the 2 systems were operating separately or simultaneously, and at low speed or high speed. The aeration control maintained low DO concentrations, allowing simultaneous nitrification and denitrification. This made it difficult to calibrate the oxygen transfer. The nitrogen removal kinetics were determined using maximum nitrification rate tests and an 8-hour intensive sampling campaign. Despite the challenges encountered, a calibrated set of parameters was identified for ASM1 that gave very satisfactory results for the calibration period. Matching simulated and measured data became more difficult during the validation period, mainly because the dominant aeration configuration had changed. However, the merit of this study is to be the first effort to simulate a full-scale MBR plant.

  3. Simulation of a membrane bioreactor pilot treating old landfill leachates with activated sludge model no. 1 and no. 3.

    Science.gov (United States)

    Galleguillos, Marcelo; Keffala, Chéma; Vasel, Jean-Luc

    2011-12-01

    Activated sludge model No. 1 (ASM1) and activated sludge model No. 3 (ASM3) can simulate correctly the behaviour of a pilot membrane bioreactor treating old landfill leachates. Both models show similar results, which are consistent with measured data. In this work, a simplified calibration procedure is applied including hydrodynamic and oxygen transfer characterization. The wastewater characterisation was based on a physical-chemical method combined with a BOD analysis for the COD fractions and on standard analysis for nitrogen forms. Default parameters were used for both models; despite this, good simulations were obtained showing the flexibility and accuracy of the well-achieved ASM family models. The sensibility analysis performed allows identification of the most important kinetic, stoichiometric and operational parameters that should be measured to confirm or replace default values. In this specific case, the simulation is most sensitive to heterotrophic yield, particularly under anoxic conditions.

  4. Modelling Protein-induced Membrane Deformation using Monte Carlo and Langevin Dynamics Simulations

    Science.gov (United States)

    Radhakrishnan, R.; Agrawal, N.; Ramakrishnan, N.; Kumar, P. B. Sunil; Liu, J.

    2010-11-01

    In eukaryotic cells, internalization of extracellular cargo via the cellular process of endocytosis is orchestrated by a variety of proteins, many of which are implicated in membrane deformation/bending. We model the energetics of deformations membranes by using the Helfrich Hamiltonian using two different formalisms: (i) Cartesian or Monge Gauge using Langevin dynamics; (ii) Curvilinear coordinate system using Monte Carlo (MC). Monge gauge approach which has been extensively studied is limited to small deformations of the membrane and cannot describe extreme deformations. Curvilinear coordinate approach can handle large deformation limits as well as finite-temperature membrane fluctuations; here we employ an unstructured triangular mesh to compute the local curvature tensor, and we evolve the membrane surface using a MC method. In our application, we compare the two approaches (i and ii above) to study how the spatial assembly of curvature inducing proteins leads to vesicle budding from a planar membrane. We also quantify how the curvature field of the membrane impacts the spatial segregation of proteins.

  5. Thermodynamic consistency of viscoplastic material models involving external variable rates in the evolution equations for the internal variables

    International Nuclear Information System (INIS)

    Malmberg, T.

    1993-09-01

    The objective of this study is to derive and investigate thermodynamic restrictions for a particular class of internal variable models. Their evolution equations consist of two contributions: the usual irreversible part, depending only on the present state, and a reversible but path dependent part, linear in the rates of the external variables (evolution equations of ''mixed type''). In the first instance the thermodynamic analysis is based on the classical Clausius-Duhem entropy inequality and the Coleman-Noll argument. The analysis is restricted to infinitesimal strains and rotations. The results are specialized and transferred to a general class of elastic-viscoplastic material models. Subsequently, they are applied to several viscoplastic models of ''mixed type'', proposed or discussed in the literature (Robinson et al., Krempl et al., Freed et al.), and it is shown that some of these models are thermodynamically inconsistent. The study is closed with the evaluation of the extended Clausius-Duhem entropy inequality (concept of Mueller) where the entropy flux is governed by an assumed constitutive equation in its own right; also the constraining balance equations are explicitly accounted for by the method of Lagrange multipliers (Liu's approach). This analysis is done for a viscoplastic material model with evolution equations of the ''mixed type''. It is shown that this approach is much more involved than the evaluation of the classical Clausius-Duhem entropy inequality with the Coleman-Noll argument. (orig.) [de

  6. Integration and consistency testing of groundwater flow models with hydro-geochemistry in site investigations in Finland

    International Nuclear Information System (INIS)

    Pitkaenen, P.; Loefman, J.; Korkealaakso, J.; Koskinen, L.; Ruotsalainen, P.; Hautojaervi, A.; Aeikaes, T.

    1999-01-01

    In the assessment of the suitability and safety of a geological repository for radioactive waste the understanding of the fluid flow at a site is essential. In order to build confidence in the assessment of the hydrogeological performance of a site in various conditions, integration of hydrological and hydrogeochemical methods and studies provides the primary method for investigating the evolution that has taken place in the past, and for predicting future conditions at the potential disposal site. A systematic geochemical sampling campaign was started since the beginning of 1990's in the Finnish site investigation programme. This enabled the initiating of integration and evaluation of site scale hydrogeochemical and groundwater flow models. Hydrogeochemical information has been used to screen relevant external processes and variables for definition of the initial and boundary conditions in hydrological simulations. The results obtained from interpretation and modelling hydrogeochemical evolution have been employed in testing the hydrogeochemical consistency of conceptual flow models. Integration and testing of flow models with hydrogeochemical information are considered to improve significantly the hydrogeological understanding of a site and increases confidence in conceptual hydrogeological models. (author)

  7. A Simulation Model for Drift Resistive Ballooning Turbulence Examining the Influence of Self-consistent Zonal Flows

    Science.gov (United States)

    Cohen, Bruce; Umansky, Maxim; Joseph, Ilon

    2015-11-01

    Progress is reported on including self-consistent zonal flows in simulations of drift-resistive ballooning turbulence using the BOUT + + framework. Previous published work addressed the simulation of L-mode edge turbulence in realistic single-null tokamak geometry using the BOUT three-dimensional fluid code that solves Braginskii-based fluid equations. The effects of imposed sheared ExB poloidal rotation were included, with a static radial electric field fitted to experimental data. In new work our goal is to include the self-consistent effects on the radial electric field driven by the microturbulence, which contributes to the sheared ExB poloidal rotation (zonal flow generation). We describe a model for including self-consistent zonal flows and an algorithm for maintaining underlying plasma profiles to enable the simulation of steady-state turbulence. We examine the role of Braginskii viscous forces in providing necessary dissipation when including axisymmetric perturbations. We also report on some of the numerical difficulties associated with including the axisymmetric component of the fluctuating fields. This work was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-07NA27344 at the Lawrence Livermore National Laboratory (LLNL-ABS-674950).

  8. Large Sample Hydrology : Building an international sample of watersheds to improve consistency and robustness of model evaluation

    Science.gov (United States)

    Mathevet, Thibault; Kumar, Rohini; Gupta, Hoshin; Vaze, Jai; Andréassian, Vazken

    2015-04-01

    This poster introduces the aims of the Large Sample Hydrology working group (LSH-WG) of the new IAHS Panta Rhei decade (2013-2022). The aim of the LSH-WG is to promote large sample hydrology, as discussed by Gupta et al. (2014) and to invite the community to collaborate on building and sharing a comprehensive and representative world-wide sample of watershed datasets. By doing so, LSH will allow the community to work towards 'hydrological consistency' (Martinez and Gupta, 2011) as a basis for hydrologic model development and evaluation, thereby increasing robustness of the model evaluation process. Classical model evaluation metrics based on 'robust statistics' are needed, but clearly not sufficient: multi-criteria assessments based on multiple hydrological signatures can help to better characterize hydrological functioning. Further, large-sample data sets can greatly facilitate: (i) improved understanding through rigorous testing and comparison of competing model hypothesis and structures, (ii) improved robustness of generalizations through statistical analyses that minimize the influence of outliers and case-specific studies, (iii) classification, regionalization and model transfer across a broad diversity of hydrometeorological contexts, and (iv) estimation of predictive uncertainties at a location and across locations (Mathevet et al., 2006; Andréassian et al., 2009; Gupta et al., 2014) References Andréassian, V., Perrin, C., Berthet, L., Le Moine, N., Lerat, J., Loumagne, C., Oudin, L., Mathevet, T., Ramos, M. H., and Valéry, A.: Crash tests for a standardized evaluation of hydrological models, Hydrology and Earth System Sciences, 1757-1764, 2009. Gupta, H. V., Perrin, C., Blöschl, G., Montanari, A., Kumar, R., Clark, M., and Andréassian, V.: Large-sample hydrology: a need to balance depth with breadth, Hydrol. Earth Syst. Sci., 18, 463-477, doi:10.5194/hess-18-463-2014, 2014. Martinez, G. F., and H. V.Gupta (2011), Hydrologic consistency as a basis for

  9. Development of a Comprehensive Fouling Model for a Rotating Membrane Bioreactor System Treating Wastewater

    Directory of Open Access Journals (Sweden)

    Parneet Paul

    2015-01-01

    Full Text Available Membrane bioreactors (MBRs are now main stream wastewater treatment technologies. In recent times, novel pressure driven rotating membrane disc modules have been specially developed that induce high shear on the membrane surface, thereby reducing fouling. Previous research has produced dead-end filtration fouling model which combines all three classical mechanisms that was later used by another researcher as a starting point for a greatly refined model of a cross flow side-stream MBR that incorporated both hydrodynamics and soluble microbial products’ (SMP effects. In this study, a comprehensive fouling model was created based on this earlier work that incorporated all three classical fouling mechanisms for a rotating MBR system. It was tested and validated for best fit using appropriate data sets. The initial model fit appeared good for all simulations, although it still needs to be calibrated using further appropriate data sets.

  10. A self-consistent model for the electronic structure of the u-center in alkali-halides

    International Nuclear Information System (INIS)

    Koiller, B.; Brandi, H.S.

    1978-01-01

    A simple one-orbital per site model Hamiltonian for the U center in alkali-halides with rock-salt structure where correlation effects are introduced via an Anderson type Hamiltonian is presented. The Cluster-Bethe lattice method is used to determine the local density of states, yielding both localized and extended states. A one-electron approximation is assumed and the problem is solved self consistently in the Hartree-Fock scheme. The optical excitation energy is in fair agreement with experiment. The present approach is compared with other models previously used to describe this center and the results indicate that is adequately incorporates the relevant features of the system indicating the possibility of its application to other physical situations [pt

  11. Light radiation pressure upon a wrinkled membrane – parametrization of an optically orthotropic model

    Science.gov (United States)

    Nerovny, N. A.; Zimin, V. N.

    2018-04-01

    In this paper, the problem of representing the light pressure force upon the surface of a thin wrinkled film is discussed. The common source of wrinkles is the shear deformation of the membrane sample. The optical model of such a membrane is assumed to be optically orthotropic and an analytic equation for infinitesimal light pressure force is written. A linear regression model in the case of wrinkle geometry, where a surface element can have different optical parameters, is constructed and the Bayesian approach is used to calculate the parameters of this model.

  12. A Self-consistent Cloud Model for Brown Dwarfs and Young Giant Exoplanets: Comparison with Photometric and Spectroscopic Observations

    Science.gov (United States)

    Charnay, B.; Bézard, B.; Baudino, J.-L.; Bonnefoy, M.; Boccaletti, A.; Galicher, R.

    2018-02-01

    We developed a simple, physical, and self-consistent cloud model for brown dwarfs and young giant exoplanets. We compared different parametrizations for the cloud particle size, by fixing either particle radii or the mixing efficiency (parameter f sed), or by estimating particle radii from simple microphysics. The cloud scheme with simple microphysics appears to be the best parametrization by successfully reproducing the observed photometry and spectra of brown dwarfs and young giant exoplanets. In particular, it reproduces the L–T transition, due to the condensation of silicate and iron clouds below the visible/near-IR photosphere. It also reproduces the reddening observed for low-gravity objects, due to an increase of cloud optical depth for low gravity. In addition, we found that the cloud greenhouse effect shifts chemical equilibrium, increasing the abundances of species stable at high temperature. This effect should significantly contribute to the strong variation of methane abundance at the L–T transition and to the methane depletion observed on young exoplanets. Finally, we predict the existence of a continuum of brown dwarfs and exoplanets for absolute J magnitude = 15–18 and J-K color = 0–3, due to the evolution of the L–T transition with gravity. This self-consistent model therefore provides a general framework to understand the effects of clouds and appears well-suited for atmospheric retrievals.

  13. A Multi-Model Framework to Achieve Consistent Evaluation of Climate Change Impacts in the United States

    Science.gov (United States)

    Sarofim, M. C.; Martinich, J.; Waldhoff, S.; DeAngelo, B. J.; McFarland, J.; Jantarasami, L.; Shouse, K.; Crimmins, A.; Li, J.

    2014-12-01

    The Climate Change Impacts and Risk Analysis (CIRA) project establishes a new multi-model framework to systematically assess the physical impacts, economic damages, and risks from climate change. The primary goal of this framework is to estimate the degree to which climate change impacts and damages in the United States are avoided or reduced in the 21st century under multiple greenhouse gas (GHG) emissions mitigation scenarios. The first phase of the CIRA project is a modeling exercise that included two integrated assessment models and 15 sectoral models encompassing five broad impacts sectors: water resources, electric power, infrastructure, human health, and ecosystems. Three consistent socioeconomic and climate scenarios are used to analyze the benefits of global GHG mitigation targets: a reference scenario and two policy scenarios with total radiative forcing targets in 2100 of 4.5 W/m2 and 3.7 W/m2. In this exercise, the implications of key uncertainties are explored, including climate sensitivity, climate model, natural variability, and model structures and parameters. This presentation describes the motivations and goals of the CIRA project; the design and academic contribution of the first CIRA modeling exercise; and briefly summarizes several papers published in a special issue of Climatic Change. The results across impact sectors show that GHG mitigation provides benefits to the United States that increase over time, the effects of climate change can be strongly influenced by near-term policy choices, adaptation can reduce net damages, and impacts exhibit spatial and temporal patterns that may inform mitigation and adaptation policy discussions.

  14. Modelling of a tubular membrane contactor for pre-combustion CO2 capture using ionic liquids: Influence of the membrane configuration, absorbent properties and operation parameters

    Directory of Open Access Journals (Sweden)

    Zhongde Dai

    2016-10-01

    Full Text Available A membrane contactor using ionic liquids (ILs as solvent for pre-combustion capture CO2 at elevated temperature (303–393 K and pressure (20 bar has been studied using mathematic model in the present work. A comprehensive two-dimensional (2D mass-transfer model was developed based on finite element method. The effects of liquid properties, membrane configurations, as well as operation parameters on the CO2 removal efficiency were systematically studied. The simulation results show that CO2 can be effectively removed in this process. In addition, it is found that the liquid phase mass transfer dominated the overall mass transfer. Membranes with high porosity and small thickness could apparently reduce the membrane resistance and thus increase the separation efficiency. On the other hand, the membrane diameter and membrane length have a relatively small influence on separation performance within the operation range. Keywords: CO2 capture, Pre-combustion, Membrane contactor, Ionic liquids, Modelling

  15. Atomic Force Microscopy Study of the Interactions of Indolicidin with Model Membranes and DNA.

    Science.gov (United States)

    Fojan, Peter; Gurevich, Leonid

    2017-01-01

    The cell membrane is the first barrier and quite often the primary target that antimicrobial peptides (AMPs) have to destroy or penetrate to fulfill their mission. Upon penetrating through the membrane, the peptides can further attack intracellular targets, in particular DNA. Studying the interaction of an antimicrobial peptide with a cell membrane and DNA holds keys to understanding its killing mechanisms. Commonly, these interactions are studied by using optical or scanning electron microscopy and appropriately labeled peptides. However, labeling can significantly affect the hydrophobicity, conformation, and size of the peptide, hence altering the interaction significantly. Here, we describe the use of atomic force microscopy (AFM) for a label-free study of the interactions of peptides with model membranes under physiological conditions and DNA as a possible intracellular target.

  16. Biological nitrogen and phosphorus removal in membrane bioreactors: model development and parameter estimation.

    Science.gov (United States)

    Cosenza, Alida; Mannina, Giorgio; Neumann, Marc B; Viviani, Gaspare; Vanrolleghem, Peter A

    2013-04-01

    Membrane bioreactors (MBR) are being increasingly used for wastewater treatment. Mathematical modeling of MBR systems plays a key role in order to better explain their characteristics. Several MBR models have been presented in the literature focusing on different aspects: biological models, models which include soluble microbial products (SMP), physical models able to describe the membrane fouling and integrated models which couple the SMP models with the physical models. However, only a few integrated models have been developed which take into account the relationships between membrane fouling and biological processes. With respect to biological phosphorus removal in MBR systems, due to the complexity of the process, practical use of the models is still limited. There is a vast knowledge (and consequently vast amount of data) on nutrient removal for conventional-activated sludge systems but only limited information on phosphorus removal for MBRs. Calibration of these complex integrated models still remains the main bottleneck to their employment. The paper presents an integrated mathematical model able to simultaneously describe biological phosphorus removal, SMP formation/degradation and physical processes which also include the removal of organic matter. The model has been calibrated with data collected in a UCT-MBR pilot plant, located at the Palermo wastewater treatment plant, applying a modified version of a recently developed calibration protocol. The calibrated model provides acceptable correspondence with experimental data and can be considered a useful tool for MBR design and operation.

  17. Mathematical modelling of a flow-injection system with a membrane separation module

    NARCIS (Netherlands)

    Kolev, S.D.; Kolev, Spas D.; van der Linden, W.E.

    1992-01-01

    A mathematical model for a flow-injection system with a membrane separation module based on the axially dispersed plug flow model was developed. It takes into account the geometrical dimensions and dispersion properties of the main sections of the manifold, the mass transfer in the channels of the

  18. Model-based fault detection for proton exchange membrane fuel cell ...

    African Journals Online (AJOL)

    In this paper, an intelligent model-based fault detection (FD) is developed for proton exchange membrane fuel cell (PEMFC) dynamic systems using an independent radial basis function (RBF) networks. The novelty is that this RBF networks is used to model the PEMFC dynamic systems and residuals are generated based ...

  19. Producing physically consistent and bias free extreme precipitation events over the Switzerland: Bridging gaps between meteorology and impact models

    Science.gov (United States)

    José Gómez-Navarro, Juan; Raible, Christoph C.; Blumer, Sandro; Martius, Olivia; Felder, Guido

    2016-04-01

    Extreme precipitation episodes, although rare, are natural phenomena that can threat human activities, especially in areas densely populated such as Switzerland. Their relevance demands the design of public policies that protect public assets and private property. Therefore, increasing the current understanding of such exceptional situations is required, i.e. the climatic characterisation of their triggering circumstances, severity, frequency, and spatial distribution. Such increased knowledge shall eventually lead us to produce more reliable projections about the behaviour of these events under ongoing climate change. Unfortunately, the study of extreme situations is hampered by the short instrumental record, which precludes a proper characterization of events with return period exceeding few decades. This study proposes a new approach that allows studying storms based on a synthetic, but physically consistent database of weather situations obtained from a long climate simulation. Our starting point is a 500-yr control simulation carried out with the Community Earth System Model (CESM). In a second step, this dataset is dynamically downscaled with the Weather Research and Forecasting model (WRF) to a final resolution of 2 km over the Alpine area. However, downscaling the full CESM simulation at such high resolution is infeasible nowadays. Hence, a number of case studies are previously selected. This selection is carried out examining the precipitation averaged in an area encompassing Switzerland in the ESM. Using a hydrological criterion, precipitation is accumulated in several temporal windows: 1 day, 2 days, 3 days, 5 days and 10 days. The 4 most extreme events in each category and season are selected, leading to a total of 336 days to be simulated. The simulated events are affected by systematic biases that have to be accounted before this data set can be used as input in hydrological models. Thus, quantile mapping is used to remove such biases. For this task

  20. A self-consistent model of a thermally balanced quiescent prominence in magnetostatic equilibrium in a uniform gravitational field

    International Nuclear Information System (INIS)

    Lerche, I.; Low, B.C.

    1977-01-01

    A theoretical model of quiescent prominences in the form of an infinite vertical sheet is presented. Self-consistent solutions are obtained by integrating simultaneously the set of nonlinear equations of magnetostatic equilibrium and thermal balance. The basic features of the models are: (1) The prominence matter is confined to a sheet and supported against gravity by a bowed magnetic field. (2) The thermal flux is channelled along magnetic field lines. (3) The thermal flux is everywhere balanced by Low's (1975) hypothetical heat sink which is proportional to the local density. (4) A constant component of the magnetic field along the length of the prominence shields the cool plasma from the hot surrounding. It is assumed that the prominence plasma emits more radiation than it absorbes from the radiation fields of the photosphere, chromosphere and corona, and the above hypothetical heat sink is interpreted to represent the amount of radiative loss that must be balanced by a nonradiative energy input. Using a central density and temperature of 10 11 particles cm -3 and 5000 K respectively, a magnetic field strength between 2 to 10 gauss and a thermal conductivity that varies linearly with temperature, the physical properties implied by the model are discussed. The analytic treatment can also be carried out for a class of more complex thermal conductivities. These models provide a useful starting point for investigating the combined requirements of magnetostatic equilibrium and thermal balance in the quiescent prominence. (Auth.)

  1. Modelling Ser129 phosphorylation inhibits membrane binding of pore-forming alpha-synuclein oligomers.

    Directory of Open Access Journals (Sweden)

    Georg Sebastian Nübling

    Full Text Available BACKGROUND: In several neurodegenerative diseases, hyperphosphorylation at position Ser129 is found in fibrillar deposits of alpha-synuclein (asyn, implying a pathophysiological role of asyn phosphorylation in neurodegeneration. However, recent animal models applying asyn phosphorylation mimics demonstrated a protective effect of phosphorylation. Since metal-ion induced asyn oligomers were identified as a potential neurotoxic aggregate species with membrane pore-forming abilities, the current study was undertaken to determine effects of asyn phosphorylation on oligomer membrane binding. METHODS: We investigated the influence of S129 phosphorylation on interactions of metal-ion induced asyn oligomers with small unilamellar lipid vesicles (SUV composed of POPC and DPPC applying the phosphorylation mimic asyn129E. Confocal single-particle fluorescence techniques were used to monitor membrane binding at the single-particle level. RESULTS: Binding of asyn129E monomers to gel-state membranes (DPPC-SUV is slightly reduced compared to wild-type asyn, while no interactions with membranes in the liquid-crystalline state (POPC-SUV are seen for both asyn and asyn129E. Conversely, metal-ion induced oligomer formation is markedly increased in asyn129E. Surprisingly, membrane binding to POPC-SUV is nearly absent in Fe(3+ induced asyn129E oligomers and markedly reduced in Al(3+ induced oligomers. CONCLUSION: The protective effect of pseudophosphorylation seen in animal models may be due to impeded oligomer membrane binding. Phosphorylation at Ser129 may thus have a protective effect against neurotoxic asyn oligomers by preventing oligomer membrane binding and disruption of the cellular electrophysiological equilibrium. Importantly, these findings put a new complexion on experimental pharmaceutical interventions against POLO-2 kinase.

  2. On the study of catalytic membrane reactor for water detritiation: Modeling approach

    Energy Technology Data Exchange (ETDEWEB)

    Liger, Karine, E-mail: karine.liger@cea.fr [CEA, DEN, DTN/SMTA/LIPC Cadarache, Saint Paul-lez-Durance F-13108 (France); Mascarade, Jérémy [CEA, DEN, DTN/SMTA/LIPC Cadarache, Saint Paul-lez-Durance F-13108 (France); Joulia, Xavier; Meyer, Xuan-Mi [Université de Toulouse, INPT, UPS, Laboratoire de Génie Chimique, 4, Allée Emile Monso, Toulouse F-31030 (France); CNRS, Laboratoire de Génie Chimique, Toulouse F-31030 (France); Troulay, Michèle; Perrais, Christophe [CEA, DEN, DTN/SMTA/LIPC Cadarache, Saint Paul-lez-Durance F-13108 (France)

    2016-11-01

    Highlights: • Experimental results for the conversion of tritiated water (using deuterium as a simulant of tritium) by means of a catalytic membrane reactor in view of tritium recovery. • Phenomenological 2D model to represent catalytic membrane reactor behavior including the determination of the compositions of gaseous effluents. • Good agreement between the simulation results and experimental measurements performed on the dedicated facility. • Explanation of the unexpected behavior of the catalytic membrane reactor by the modeling results and in particular the gas composition estimation. - Abstract: In the framework of tritium recovery from tritiated water, efficiency of packed bed membrane reactors have been successfully demonstrated. Thanks to protium isotope swamping, tritium bonded water can be recovered under the valuable Q{sub 2} form (Q = H, D or T) by means of isotope exchange reactions occurring on catalyst surface. The use of permselective Pd-based membrane allows withdrawal of reactions products all along the reactor, and thus limits reverse reaction rate to the benefit of the direct one (shift effect). The reactions kinetics, which are still little known or unknown, are generally assumed to be largely greater than the permeation ones so that thermodynamic equilibriums of isotope exchange reactions are generally assumed. This paper proposes a new phenomenological 2D model to represent catalytic membrane reactor behavior with the determination of gas effluents compositions. A good agreement was obtained between the simulation results and experimental measurements performed on a dedicated facility. Furthermore, the gas composition estimation permits to interpret unexpected behavior of the catalytic membrane reactor. In the next future, further sensitivity analysis will be performed to determine the limits of the model and a kinetics study will be conducted to assess the thermodynamic equilibrium of reactions.

  3. Experimental investigation and modeling of industrial oily wastewater treatment using modified polyethersulfone ultrafiltration hollow fiber membranes

    International Nuclear Information System (INIS)

    Salahi, Abdolhamid; Mohammadi, Toraj; Behbahani, Reza Mosayebi; Hemmati, Mahmood

    2015-01-01

    Hollow fiber membranes were prepared from polyethersulfone/additives/NMP and DMSO system via phase inversion induced by precipitation in non-solvent coagulation bath. The interaction effects of polyethylene-glycol (PEG), propionic-acid (PA), Tween-20, PEG molecular weight and polyvinyl-pyrrolidone (PVP) on morphology and performance of synthesized membranes were investigated. Taguchi method (L 16 orthogonal array) was used initially to plan a minimum number of experiments. 32 membranes were synthesized (with two replications) and their permeation flux and TOC rejection properties to oily wastewater treatment were studied. The obtained results indicated that addition of PA to spinning dope decreases flux while it increases TOC rejection of prepared membranes. Also, the result shows that addition of PVP, Tween-20 and PEG content in spinning dope enhances permeation flux while reducing TOC rejection. The obtained results indicated that the synthesized membranes was effective and suitable for treatment of the oily wastewater to achieve up to 92.6, 98.2, and 98.5% removal of TOC, TSS, and OGC, respectively with a flux of 247.19 L/(m 2 h). Moreover, Hermia's models were used for permeation flux decline prediction. Experimental data and models predictions were compared. The results showed that there is reasonable agreement between experimental data and the cake layer model followed by the intermediate blocking model

  4. Experimental investigation and modeling of industrial oily wastewater treatment using modified polyethersulfone ultrafiltration hollow fiber membranes

    Energy Technology Data Exchange (ETDEWEB)

    Salahi, Abdolhamid; Mohammadi, Toraj [Iran University of Science and Technology (IUST), Tehran (Iran, Islamic Republic of); Behbahani, Reza Mosayebi [Petroleum University of Technology (PUT), Ahwaz (Iran, Islamic Republic of); Hemmati, Mahmood [Research Institute of Petroleum Industry, Tehran (Iran, Islamic Republic of)

    2015-06-15

    Hollow fiber membranes were prepared from polyethersulfone/additives/NMP and DMSO system via phase inversion induced by precipitation in non-solvent coagulation bath. The interaction effects of polyethylene-glycol (PEG), propionic-acid (PA), Tween-20, PEG molecular weight and polyvinyl-pyrrolidone (PVP) on morphology and performance of synthesized membranes were investigated. Taguchi method (L{sub 16} orthogonal array) was used initially to plan a minimum number of experiments. 32 membranes were synthesized (with two replications) and their permeation flux and TOC rejection properties to oily wastewater treatment were studied. The obtained results indicated that addition of PA to spinning dope decreases flux while it increases TOC rejection of prepared membranes. Also, the result shows that addition of PVP, Tween-20 and PEG content in spinning dope enhances permeation flux while reducing TOC rejection. The obtained results indicated that the synthesized membranes was effective and suitable for treatment of the oily wastewater to achieve up to 92.6, 98.2, and 98.5% removal of TOC, TSS, and OGC, respectively with a flux of 247.19 L/(m{sup 2}h). Moreover, Hermia's models were used for permeation flux decline prediction. Experimental data and models predictions were compared. The results showed that there is reasonable agreement between experimental data and the cake layer model followed by the intermediate blocking model.

  5. Nuclide separation modeling through reverse osmosis membranes in radioactive liquid waste

    Directory of Open Access Journals (Sweden)

    Byung-Sik Lee

    2015-12-01

    Full Text Available The aim of this work is to investigate the transport mechanism of radioactive nuclides through the reverse osmosis (RO membrane and to estimate its effectiveness for nuclide separation from radioactive liquid waste. An analytical model is developed to simulate the RO separation, and a series of experiments are set up to confirm its estimated separation behavior. The model is based on the extended Nernst–Plank equation, which handles the convective flux, diffusive flux, and electromigration flux under electroneutrality and zero electric current conditions. The distribution coefficient which arises due to ion interactions with the membrane material and the electric potential jump at the membrane interface are included as boundary conditions in solving the equation. A high Peclet approximation is adopted to simplify the calculation, but the effect of concentration polarization is included for a more accurate prediction of separation. Cobalt and cesium are specifically selected for the experiments in order to check the separation mechanism from liquid waste composed of various radioactive nuclides and nonradioactive substances, and the results are compared with the estimated cobalt and cesium rejections of the RO membrane using the model. Experimental and calculated results are shown to be in excellent agreement. The proposed model will be very useful for the prediction of separation behavior of various radioactive nuclides by the RO membrane.

  6. The problem of fouling in submerged membrane bioreactors - Model validation and experimental evidence

    Science.gov (United States)

    Tsibranska, Irene; Vlaev, Serafim; Tylkowski, Bartosz

    2018-01-01

    Integrating biological treatment with membrane separation has found a broad area of applications and industrial attention. Submerged membrane bioreactors (SMBRs), based on membrane modules immersed in the bioreactor, or side stream ones connected in recycle have been employed in different biotechnological processes for separation of thermally unstable products. Fouling is one of the most important challenges in the integrated SMBRs. A number of works are devoted to fouling analysis and its treatment, especially exploring the opportunity for enhanced fouling control in SMBRs. The main goal of the review is to provide a comprehensive yet concise overview of modeling the fouling in SMBRs in view of the problematics of model validation, either by real system measurements at different scales or by analysis of the obtained theoretical results. The review is focused on the current state of research applying computational fluid dynamics (CFD) modeling techniques.

  7. Mathematical models of membrane fouling in cross-flow micro-filtration

    Directory of Open Access Journals (Sweden)

    Mónica Jimena Ortíz Jerez

    2008-01-01

    Full Text Available The greatest difficulty arising during cross-flow micro-filtration is the formation of a cake layer on the membrane sur-face (also called fouling, thereby affecting system performance. Fouling has been related to permeate flux decay re-sulting from changes in operating variables. Many articles have been published in an attempt to explain this phe-nomenon but it has not yet been fully understood because it depends on specific solution/membrane interactions and differing parameters. This work was aimed at presenting an analytical review of recently published mathematical models to explain fouling. Although the reviewed models can be adjusted to any type of application, a simple “con-centration polarisation” model is advisable in the particular case of tropical fruit juices for describing the insoluble solids being deposited on membrane surface.

  8. Fundamental Studies of Novel Zwitterionic Hybrid Membranes: Kinetic Model and Mechanism Insights into Strontium Removal

    OpenAIRE

    Wen Zhu; Junsheng Liu; Meng Li

    2014-01-01

    A series of zwitterionic hybrid membranes were prepared via the ring opening of 1,3-propanesultone with the amine groups in the chains of TMSPEDA and a subsequent sol-gel process. Their kinetic models for strontium removal were investigated using three two-parameter kinetic equations (i.e., Lagergren pseudo-first order, pseudo-second order, and Elovich models). Adsorption mechanism was evaluated using intraparticle diffusion model, diffusion-chemisorption model, and Boyd equation. It was foun...

  9. Self-Consistant Numerical Modeling of E-Cloud Driven Instability of a Bunch Train in the CERN SPS

    International Nuclear Information System (INIS)

    Vay, J.-L.; Furman, M.A.; Secondo, R.; Venturini, M.; Fox, J.D.; Rivetta, C.H.

    2010-01-01

    The simulation package WARP-POSINST was recently upgraded for handling multiple bunches and modeling concurrently the electron cloud buildup and its effect on the beam, allowing for direct self-consistent simulation of bunch trains generating, and interacting with, electron clouds. We have used the WARP-POSINST package on massively parallel supercomputers to study the growth rate and frequency patterns in space-time of the electron cloud driven transverse instability for a proton bunch train in the CERN SPS accelerator. Results suggest that a positive feedback mechanism exists between the electron buildup and the e-cloud driven transverse instability, leading to a net increase in predicted electron density. Comparisons to selected experimental data are also given. Electron clouds have been shown to trigger fast growing instabilities on proton beams circulating in the SPS and other accelerators. So far, simulations of electron cloud buildup and their effects on beam dynamics have been performed separately. This is a consequence of the large computational cost of the combined calculation due to large space and time scale disparities between the two processes. We have presented the latest improvements of the simulation package WARP-POSINST for the simulation of self-consistent ecloud effects, including mesh refinement, and generation of electrons from gas ionization and impact at the pipe walls. We also presented simulations of two consecutive bunches interacting with electrons clouds in the SPS, which included generation of secondary electrons. The distribution of electrons in front of the first beam was initialized from a dump taken from a preceding buildup calculation using the POSINST code. In this paper, we present an extension of this work where one full batch of 72 bunches is simulated in the SPS, including the entire buildup calculation and the self-consistent interaction between the bunches and the electrons. Comparisons to experimental data are also given.

  10. Induced mitochondrial membrane potential for modeling solitonic conduction of electrotonic signals.

    Directory of Open Access Journals (Sweden)

    R R Poznanski

    Full Text Available A cable model that includes polarization-induced capacitive current is derived for modeling the solitonic conduction of electrotonic potentials in neuronal branchlets with microstructure containing endoplasmic membranes. A solution of the nonlinear cable equation modified for fissured intracellular medium with a source term representing charge 'soakage' is used to show how intracellular capacitive effects of bound electrical charges within mitochondrial membranes can influence electrotonic signals expressed as solitary waves. The elastic collision resulting from a head-on collision of two solitary waves results in localized and non-dispersing electrical solitons created by the nonlinearity of the source term. It has been shown that solitons in neurons with mitochondrial membrane and quasi-electrostatic interactions of charges held by the microstructure (i.e., charge 'soakage' have a slower velocity of propagation compared with solitons in neurons with microstructure, but without endoplasmic membranes. When the equilibrium potential is a small deviation from rest, the nonohmic conductance acts as a leaky channel and the solitons are small compared when the equilibrium potential is large and the outer mitochondrial membrane acts as an amplifier, boosting the amplitude of the endogenously generated solitons. These findings demonstrate a functional role of quasi-electrostatic interactions of bound electrical charges held by microstructure for sustaining solitons with robust self-regulation in their amplitude through changes in the mitochondrial membrane equilibrium potential. The implication of our results indicate that a phenomenological description of ionic current can be successfully modeled with displacement current in Maxwell's equations as a conduction process involving quasi-electrostatic interactions without the inclusion of diffusive current. This is the first study in which solitonic conduction of electrotonic potentials are generated by

  11. Global sensitivity analysis of a filtration model for submerged anaerobic membrane bioreactors (AnMBR).

    Science.gov (United States)

    Robles, A; Ruano, M V; Ribes, J; Seco, A; Ferrer, J

    2014-04-01

    The results of a global sensitivity analysis of a filtration model for submerged anaerobic MBRs (AnMBRs) are assessed in this paper. This study aimed to (1) identify the less- (or non-) influential factors of the model in order to facilitate model calibration and (2) validate the modelling approach (i.e. to determine the need for each of the proposed factors to be included in the model). The sensitivity analysis was conducted using a revised version of the Morris screening method. The dynamic simulations were conducted using long-term data obtained from an AnMBR plant fitted with industrial-scale hollow-fibre membranes. Of the 14 factors in the model, six were identified as influential, i.e. those calibrated using off-line protocols. A dynamic calibration (based on optimisation algorithms) of these influential factors was conducted. The resulting estimated model factors accurately predicted membrane performance. Copyright © 2014 Elsevier Ltd. All rights reserved.

  12. Solving Problem of Graph Isomorphism by Membrane-Quantum Hybrid Model

    Directory of Open Access Journals (Sweden)

    Artiom Alhazov

    2015-10-01

    Full Text Available This work presents the application of new parallelization methods based on membrane-quantum hybrid computing to graph isomorphism problem solving. Applied membrane-quantum hybrid computational model was developed by authors. Massive parallelism of unconventional computing is used to implement classic brute force algorithm efficiently. This approach does not suppose any restrictions of considered graphs types. The estimated performance of the model is less then quadratic that makes a very good result for the problem of \\textbf{NP} complexity.

  13. Ions transfer modeling through monopolar and bipolar membranes: Treatment of wastewater containing ammonium nitrate by electrodialysis

    Directory of Open Access Journals (Sweden)

    Mohamed Amine Ben Ali

    2015-05-01

    Full Text Available In this study, a mathematical model was proposed to illustrate the different transport modes contributing in transfer of all involved species through anion, cation and bipolar membranes. This study was led on a wastewater containing ammonium nitrate treated by bipolar membrane electrodialysis (BPMED. In this electrodialysis, different species are involved, in particular, ammonium ions NH4+, nitrates NO3-, ammoniac NH3, water H2O and protons H+. Calculations led from the material balance sheets equations obtained in bath mode, allowed to validate the proposed transfer model and to check balance sheets material on all involved species during electrodialysis.

  14. [Modelling of pattern formation and oscillations in pH and transmembrane potential near the cell membrane of Chara corallina].

    Science.gov (United States)

    Pliusnina, T Iu; Lavrova, A I; Riznichenko, G Iu; Rubin, A B

    2005-01-01

    A mathematical model of potencial-dependent proton transfer across the membrane of Chara corallina cells is considered. To construct the model, partial differential equations describing the system dynamics in time and in space were used. The variables of the model are the proton concentration and membrane potential. The model describes the experimentally observed inhomogeneous distribution of transmembrane potential and pH along the membrane and oscillations of the potential and pH in time. A mechanism of the distribution of pH and membrane potential along the Chara corallina cell is suggested.

  15. A generalized Born formalism for heterogeneous dielectric environments: application to the implicit modeling of biological membranes.

    Science.gov (United States)

    Tanizaki, Seiichiro; Feig, Michael

    2005-03-22

    Reliable computer simulations of complex biological environments such as integral membrane proteins with explicit water and lipid molecules remain a challenging task. We propose a modification of the standard generalized Born theory of homogeneous solvent for modeling the heterogeneous dielectric environments such as lipid/water interfaces. Our model allows the representation of biological membranes in the form of multiple layered dielectric regions with dielectric constants that are different from the solute cavity. The proposed new formalism is shown to predict the electrostatic component of solvation free energy with a relative error of 0.17% compared to exact finite-difference solutions of the Poisson equation for a transmembrane helix test system. Molecular dynamics simulations of melittin and bacteriorhodopsin are carried out and performed over 10 ns and 7 ns of simulation time, respectively. The center of melittin along the membrane normal in these stable simulations is in excellent agreement with the relevant experimental data. Simulations of bacteriorhodopsin started from the experimental structure remained stable and in close agreement with experiment. We also examined the free energy profiles of water and amino acid side chain analogs upon membrane insertion. The results with our implicit membrane model agree well with the experimental transfer free energy data from cyclohexane to water as well as explicit solvent simulations of water and selected side chain analogs.

  16. Structural models of the membrane anchors of envelope glycoproteins E1 and E2 from pestiviruses

    Science.gov (United States)

    Wang, Jimin; Li, Yue; Modis, Yorgo

    2014-01-01

    The membrane anchors of viral envelope proteins play essential roles in cell entry. Recent crystal structures of the ectodomain of envelope protein E2 from a pestivirus suggest that E2 belongs to a novel structural class of membrane fusion machinery. Based on geometric constraints from the E2 structures, we generated atomic models of the E1 and E2 membrane anchors using computational approaches. The E1 anchor contains two amphipathic perimembrane helices and one transmembrane helix; the E2 anchor contains a short helical hairpin stabilized in the membrane by an arginine residue, similar to flaviviruses. A pair of histidine residues in the E2 ectodomain may participate in pH sensing. The proposed atomic models point to Cys987 in E2 as the site of disulfide bond linkage with E1 to form E1–E2 heterodimers. The membrane anchor models provide structural constraints for the disulfide bonding pattern and overall backbone conformation of the E1 ectodomain. PMID:24725935

  17. A self-consistent trapping model of driven electron plasma waves and limits on stimulated Raman scatter

    International Nuclear Information System (INIS)

    Rose, Harvey A.; Russell, David A.

    2001-01-01

    A Vlasov equation based model is used to determine various regimes of electron plasma wave response to a source appropriate to stimulated scatter in a laser hot spot. It incorporates trapped particle effects such as the standard nonlinear frequency shift, extended beyond the weak regime, and a reduction of damping a la Zakharov and Karpman [V. E. Zakharov and V. I. Karpman, JETP 16, 351 (1963)]. The results are consistent with those of Holloway and Dorning [J. P. Holloway and J. J. Dorning, Phys. Rev. A 44, 3856 (1991)] for small amplitude Bernstein-Greene-Kruskal modes. This leads to the prediction that as long as kλ D ≥0.53 for a background Maxwellian distribution function, e.g., a 5 keV plasma with n e /n c ≤0.075, anomalously large backward stimulated Raman scatter can be excluded. A similar analysis leads to density limits on stimulated Brillouin scatter

  18. An improved cognitive model of the Iowa and Soochow Gambling Tasks with regard to model fitting performance and tests of parameter consistency.

    Science.gov (United States)

    Dai, Junyi; Kerestes, Rebecca; Upton, Daniel J; Busemeyer, Jerome R; Stout, Julie C

    2015-01-01

    The Iowa Gambling Task (IGT) and the Soochow Gambling Task (SGT) are two experience-based risky decision-making tasks for examining decision-making deficits in clinical populations. Several cognitive models, including the expectancy-valence learning (EVL) model and the prospect valence learning (PVL) model, have been developed to disentangle the motivational, cognitive, and response processes underlying the explicit choices in these tasks. The purpose of the current study was to develop an improved model that can fit empirical data better than the EVL and PVL models and, in addition, produce more consistent parameter estimates across the IGT and SGT. Twenty-six opiate users (mean age 34.23; SD 8.79) and 27 control participants (mean age 35; SD 10.44) completed both tasks. Eighteen cognitive models varying in evaluation, updating, and choice rules were fit to individual data and their performances were compared to that of a statistical baseline model to find a best fitting model. The results showed that the model combining the prospect utility function treating gains and losses separately, the decay-reinforcement updating rule, and the trial-independent choice rule performed the best in both tasks. Furthermore, the winning model produced more consistent individual parameter estimates across the two tasks than any of the other models.

  19. An Improved Cognitive Model of the Iowa and Soochow Gambling Tasks With Regard to Model Fitting Performance and Tests of Parameter Consistency

    Directory of Open Access Journals (Sweden)

    Junyi eDai

    2015-03-01

    Full Text Available The Iowa Gambling Task (IGT and the Soochow Gambling Task (SGT are two experience-based risky decision-making tasks for examining decision-making deficits in clinical populations. Several cognitive models, including the expectancy-valence learning model (EVL and the prospect valence learning model (PVL, have been developed to disentangle the motivational, cognitive, and response processes underlying the explicit choices in these tasks. The purpose of the current study was to develop an improved model that can fit empirical data better than the EVL and PVL models and, in addition, produce more consistent parameter estimates across the IGT and SGT. Twenty-six opiate users (mean age 34.23; SD 8.79 and 27 control participants (mean age 35; SD 10.44 completed both tasks. Eighteen cognitive models varying in evaluation, updating, and choice rules were fit to individual data and their performances were compared to that of a statistical baseline model to find a best fitting model. The results showed that the model combining the prospect utility function treating gains and losses separately, the decay-reinforcement updating rule, and the trial-independent choice rule performed the best in both tasks. Furthermore, the winning model produced more consistent individual parameter estimates across the two tasks than any of the other models.

  20. Zeolitic Imidazolate Framework-8 Membrane for H2/CO2 Separation: Experimental and Modeling

    Science.gov (United States)

    Lai, L. S.; Yeong, Y. F.; Lau, K. K.; Azmi, M. S.; Chew, T. L.

    2018-03-01

    In this work, ZIF-8 membrane synthesized through solvent evaporation secondary seeded growth was tested for single gas permeation and binary gases separation of H2 and CO2. Subsequently, a modified mathematical modeling combining the effects of membrane and support layers was applied to represent the gas transport properties of ZIF-8 membrane. Results showed that, the membrane has exhibited H2/CO2 ideal selectivity of 5.83 and separation factor of 3.28 at 100 kPa and 303 K. Besides, the experimental results were fitted well with the simulated results by demonstrating means absolute error (MAE) values ranged from 1.13 % to 3.88 % for single gas permeation and 10.81 % to 21.22 % for binary gases separation. Based on the simulated data, most of the H2 and CO2 gas molecules have transported through the molecular pores of membrane layer, which was up to 70 %. Thus, the gas transport of the gases is mainly dominated by adsorption and diffusion across the membrane.