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Sample records for heterogeneous model membranes

  1. Evolution and development of model membranes for physicochemical and functional studies of the membrane lateral heterogeneity.

    Science.gov (United States)

    Morigaki, Kenichi; Tanimoto, Yasushi

    2018-03-14

    One of the main questions in the membrane biology is the functional roles of membrane heterogeneity and molecular localization. Although segregation and local enrichment of protein/lipid components (rafts) have been extensively studied, the presence and functions of such membrane domains still remain elusive. Along with biochemical, cell observation, and simulation studies, model membranes are emerging as an important tool for understanding the biological membrane, providing quantitative information on the physicochemical properties of membrane proteins and lipids. Segregation of fluid lipid bilayer into liquid-ordered (Lo) and liquid-disordered (Ld) phases has been studied as a simplified model of raft in model membranes, including giant unilamellar vesicles (GUVs), giant plasma membrane vesicles (GPMVs), and supported lipid bilayers (SLB). Partition coefficients of membrane proteins between Lo and Ld phases were measured to gauze their affinities to lipid rafts (raftophilicity). One important development in model membrane is patterned SLB based on the microfabrication technology. Patterned Lo/Ld phases have been applied to study the partition and function of membrane-bound molecules. Quantitative information of individual molecular species attained by model membranes is critical for elucidating the molecular functions in the complex web of molecular interactions. The present review gives a short account of the model membranes developed for studying the lateral heterogeneity, especially focusing on patterned model membranes on solid substrates. Copyright © 2018 Elsevier B.V. All rights reserved.

  2. Heterogeneous membranes filled with hypercrosslinked microparticle adsorbent

    Czech Academy of Sciences Publication Activity Database

    Hradil, Jiří; Krystl, V.; Hrabánek, P.; Bernauer, B.; Kočiřík, Milan

    2005-01-01

    Roč. 65, 1-2 (2005), s. 57-68 ISSN 1381-5148 R&D Projects: GA ČR GA104/03/0680 Institutional research plan: CEZ:AV0Z40500505 Keywords : heterogeneous membranes * hypercrosslinked adsorbent * microparticle s Subject RIV: CD - Macromolecular Chemistry Impact factor: 1.565, year: 2005

  3. Heterogeneous structure and its effect on properties and electrochemical behavior of ion-exchange membrane

    Science.gov (United States)

    Ariono, D.; Khoiruddin; Subagjo; Wenten, I. G.

    2017-02-01

    Generally, commercially available ion-exchange membrane (IEM) can be classified into homogeneous and heterogeneous membranes. The classification is based on degree of heterogeneity in membrane structure. It is well known that the heterogeneity greatly affects the properties of IEM, such as conductivity, permselectivity, chemical and mechanical stability. The heterogeneity also influences ionic and electrical current transfer behavior of IEM-based processes during their operation. Therefore, understanding the role of heterogeneity in IEM properties is important to provide preliminary information on their operability and applicability. In this paper, the heterogeneity and its effect on IEM properties are reviewed. Some models for describing the heterogeneity of IEM and methods for characterizing the degree of heterogeneity are discussed. In addition, the influence of heterogeneity on the performance of IEM-based processes and their electrochemical behavior are described.

  4. Heterogeneous chromatin target model

    International Nuclear Information System (INIS)

    Watanabe, Makoto

    1996-01-01

    The higher order structure of the entangled chromatin fibers in a chromosome plays a key role in molecular control mechanism involved in chromosome mutation due to ionizing radiations or chemical mutagens. The condensed superstructure of chromatin is not so rigid and regular as has been postulated in general. We have proposed a rheological explanation for the flexible network system ('chromatin network') that consists of the fluctuating assembly of nucleosome clusters linked with supertwisting DNA in a chromatin fiber ('Supertwisting Particulate Model'). We have proposed a 'Heterosensitive Target Model' for cellular radiosensitivity that is a modification of 'Heterogeneous Target Model'. The heterogeneity of chromatin target is derived from the highly condensed organization of chromatin segments consist of unstable and fragile sites in the fluctuating assembly of nucleosome clusters, namely 'supranucleosomal particles' or 'superbeads'. The models have been principally supported by our electron microscopic experiments employing 'surface - spreading whole - mount technique' since 1967. However, some deformation and artifacts in the chromatin structure are inevitable with these electron microscopic procedures. On the contrary, the 'atomic force microscope (AFM)' can be operated in liquid as well as in the air. A living specimen can be examined without any preparative procedures. Micromanipulation of the isolated chromosome is also possible by the precise positional control of a cantilever on the nanometer scale. The living human chromosomes were submerged in a solution of culture medium and observed by AFM using a liquid immersion cell. The surface - spreading whole - mount technique was applicable for this observation. The particulate chromatin segments of nucleosome clusters were clearly observed within mitotic human chromosomes in a living hydrated condition. These findings support the heterogeneity of chromatin target in a living cell. (J.P.N.)

  5. Transfer Printed Nanomembranes for Heterogeneously Integrated Membrane Photonics

    Directory of Open Access Journals (Sweden)

    Hongjun Yang

    2015-11-01

    Full Text Available Heterogeneous crystalline semiconductor nanomembrane (NM integration is investigated for single-layer and double-layer Silicon (Si NM photonics, III-V/Si NM lasers, and graphene/Si NM total absorption devices. Both homogeneous and heterogeneous integration are realized by the versatile transfer printing technique. The performance of these integrated membrane devices shows, not only intact optical and electrical characteristics as their bulk counterparts, but also the unique light and matter interactions, such as Fano resonance, slow light, and critical coupling in photonic crystal cavities. Such a heterogeneous integration approach offers tremendous practical application potentials on unconventional, Si CMOS compatible, and high performance optoelectronic systems.

  6. 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...

  7. Analysis of heterogeneous oxygen exchange and fuel oxidation on the catalytic surface of perovskite membranes

    KAUST Repository

    Hong, Jongsup

    2013-10-01

    The catalytic kinetics of oxygen surface exchange and fuel oxidation for a perovskite membrane is investigated in terms of the thermodynamic state in the immediate vicinity of or on the membrane surface. Perovskite membranes have been shown to exhibit both oxygen perm-selectivity and catalytic activity for hydrocarbon conversion. A fundamental description of their catalytic surface reactions is needed. In this study, we infer the kinetic parameters for heterogeneous oxygen surface exchange and catalytic fuel conversion reactions, based on permeation rate measurements and a spatially resolved physical model that incorporates detailed chemical kinetics and transport in the gas-phase. The conservation equations for surface and bulk species are coupled with those of the gas-phase species through the species production rates from surface reactions. It is shown that oxygen surface exchange is limited by dissociative/associative adsorption/desorption of oxygen molecules onto/from the membrane surface. On the sweep side, while the catalytic conversion of methane to methyl radical governs the overall surface reactions at high temperature, carbon monoxide oxidation on the membrane surface is dominant at low temperature. Given the sweep side conditions considered in ITM reactor experiments, gas-phase reactions also play an important role, indicating the significance of investigating both homogeneous and heterogeneous chemistry and their coupling when examining the results. We show that the local thermodynamic state at the membrane surface should be considered when constructing and examining models of oxygen permeation and heterogeneous chemistry. © 2013 Elsevier B.V.

  8. Analysis of heterogeneous oxygen exchange and fuel oxidation on the catalytic surface of perovskite membranes

    KAUST Repository

    Hong, Jongsup; Kirchen, Patrick; Ghoniem, Ahmed F.

    2013-01-01

    The catalytic kinetics of oxygen surface exchange and fuel oxidation for a perovskite membrane is investigated in terms of the thermodynamic state in the immediate vicinity of or on the membrane surface. Perovskite membranes have been shown to exhibit both oxygen perm-selectivity and catalytic activity for hydrocarbon conversion. A fundamental description of their catalytic surface reactions is needed. In this study, we infer the kinetic parameters for heterogeneous oxygen surface exchange and catalytic fuel conversion reactions, based on permeation rate measurements and a spatially resolved physical model that incorporates detailed chemical kinetics and transport in the gas-phase. The conservation equations for surface and bulk species are coupled with those of the gas-phase species through the species production rates from surface reactions. It is shown that oxygen surface exchange is limited by dissociative/associative adsorption/desorption of oxygen molecules onto/from the membrane surface. On the sweep side, while the catalytic conversion of methane to methyl radical governs the overall surface reactions at high temperature, carbon monoxide oxidation on the membrane surface is dominant at low temperature. Given the sweep side conditions considered in ITM reactor experiments, gas-phase reactions also play an important role, indicating the significance of investigating both homogeneous and heterogeneous chemistry and their coupling when examining the results. We show that the local thermodynamic state at the membrane surface should be considered when constructing and examining models of oxygen permeation and heterogeneous chemistry. © 2013 Elsevier B.V.

  9. Long-range interaction between heterogeneously charged membranes.

    Science.gov (United States)

    Jho, Y S; Brewster, R; Safran, S A; Pincus, P A

    2011-04-19

    Despite their neutrality, surfaces or membranes with equal amounts of positive and negative charge can exhibit long-range electrostatic interactions if the surface charge is heterogeneous; this can happen when the surface charges form finite-size domain structures. These domains can be formed in lipid membranes where the balance of the different ranges of strong but short-ranged hydrophobic interactions and longer-ranged electrostatic repulsion result in a finite, stable domain size. If the domain size is large enough, oppositely charged domains in two opposing surfaces or membranes can be strongly correlated by the electrostatic interactions; these correlations give rise to an attractive interaction of the two membranes or surfaces over separations on the order of the domain size. We use numerical simulations to demonstrate the existence of strong attractions at separations of tens of nanometers. Large line tensions result in larger domains but also increase the charge density within the domain. This promotes correlations and, as a result, increases the intermembrane attraction. On the other hand, increasing the salt concentration increases both the domain size and degree of domain anticorrelation, but the interactions are ultimately reduced due to increased screening. The result is a decrease in the net attraction as salt concentration is increased. © 2011 American Chemical Society

  10. Ih equalizes membrane input resistance in a heterogeneous population of fusiform neurons in the dorsal cochlear nucleus.

    Directory of Open Access Journals (Sweden)

    Cesar Celis Ceballos

    2016-10-01

    Full Text Available In a neuronal population, several combinations of its ionic conductances are used to attain a specific firing phenotype. Some neurons present heterogeneity in their firing, generally produced by expression of a specific conductance, but how additional conductances vary along in order to homeostatically regulate membrane excitability is less known. Dorsal cochlear nucleus principal neurons, fusiform neurons, display heterogeneous spontaneous action potential activity and thus represent an appropriate model to study the role of different conductances in establishing firing heterogeneity. Particularly, fusiform neurons are divided into quiet, with no spontaneous firing, or active neurons, presenting spontaneous, regular firing. These modes are determined by the expression levels of an intrinsic membrane conductance, an inwardly rectifying potassium current (IKir. In this work, we tested whether other subthreshold conductances vary homeostatically to maintain membrane excitability constant across the two subtypes. We found that Ih expression covaries specifically with IKir in order to maintain membrane resistance constant. The impact of Ih on membrane resistance is dependent on the level of IKir expression, being much smaller in quiet neurons with bigger IKir, but Ih variations are not relevant for creating the quiet and active phenotypes. Finally, we demonstrate that the individual proportion of each conductance, and not their absolute conductance, is relevant for determining the neuronal firing mode. We conclude that in fusiform neurons the variations of their different subthreshold conductances are limited to specific conductances in order to create firing heterogeneity and maintain membrane homeostasis.

  11. 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...

  12. Spatial heterogeneity of biofouling under different cross-flow velocities in reverse osmosis membrane systems

    KAUST Repository

    Farhat, Nadia

    2016-09-06

    The spatially heterogeneous distribution of biofouling in spiral wound membrane systems restricts (i) the water distribution over the membrane surface and therefore (ii) the membrane-based water treatment. The objective of the study was to assess the spatial heterogeneity of biofilm development over the membrane fouling simulator (MFS) length (inlet and outlet part) at three different cross-flow velocities (0.08, 0.12 and 0.16 m/s). The MFS contained sheets of membrane and feed spacer and simulated the first 0.20 m of spiral-wound membrane modules where biofouling accumulates the most in practice. In-situ non-destructive oxygen imaging using planar optodes was applied to determine the biofilm spatially resolved activity and heterogeneity.

  13. 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

  14. Fiber Bundle Model Under Heterogeneous Loading

    Science.gov (United States)

    Roy, Subhadeep; Goswami, Sanchari

    2018-03-01

    The present work deals with the behavior of fiber bundle model under heterogeneous loading condition. The model is explored both in the mean-field limit as well as with local stress concentration. In the mean field limit, the failure abruptness decreases with increasing order k of heterogeneous loading. In this limit, a brittle to quasi-brittle transition is observed at a particular strength of disorder which changes with k. On the other hand, the model is hardly affected by such heterogeneity in the limit where local stress concentration plays a crucial role. The continuous limit of the heterogeneous loading is also studied and discussed in this paper. Some of the important results related to fiber bundle model are reviewed and their responses to our new scheme of heterogeneous loading are studied in details. Our findings are universal with respect to the nature of the threshold distribution adopted to assign strength to an individual fiber.

  15. Plants and fungi in the era of heterogeneous plasma membranes.

    Science.gov (United States)

    Opekarová, M; Malinsky, J; Tanner, W

    2010-09-01

    Examples from yeast and plant cells are described that show that their plasma membrane is laterally compartmented. Distinct lateral domains encompassing both specific lipids and integral proteins coexist within the plane of the plasma membrane. The compartments are either spatially stable and include distinct sets of proteins, or they are transiently formed to accomplish diverse functions. They are not related to lipid rafts or their clusters, as defined for mammalian cells. This review summarises only well-documented compartments of plasma membranes from plants and fungi, which have been recognised using microscopic approaches. In several cases, physiological functions of the membrane compartmentation are revealed.

  16. 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.)

  17. Increasing selectivity of a heterogeneous ion-exchange membrane

    Czech Academy of Sciences Publication Activity Database

    Křivčík, J.; Neděla, D.; Hadrava, J.; Brožová, Libuše

    2015-01-01

    Roč. 56, č. 12 (2015), s. 3160-3166 ISSN 1944-3994. [International Conference on Membrane and Electromembrane Processes - MELPRO 2014. Prague, 18.05.2014-21.05.2014] Institutional support: RVO:61389013 Keywords : ion-exchange membrane * selectivity * permselectivity Subject RIV: JP - Industrial Processing Impact factor: 1.272, year: 2015

  18. The influence of activation of heterogeneous ion-exchange membranes on their electrochemical properties

    Czech Academy of Sciences Publication Activity Database

    Brožová, Libuše; Křivčík, J.; Neděla, D.; Kysela, V.; Žitka, Jan

    2015-01-01

    Roč. 56, č. 12 (2015), s. 3228-3232 ISSN 1944-3994. [International Conference on Membrane and Electromembrane Processes - MELPRO 2014. Prague, 18.05.2014-21.05.2014] Institutional support: RVO:61389013 Keywords : heterogeneous ion-exchange membranes * electrochemical properties * activation Subject RIV: JP - Industrial Processing Impact factor: 1.272, year: 2015

  19. 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 ...

  20. The effect of organic ion-exchange resin on properties of heterogeneous ion-exchange membranes

    Czech Academy of Sciences Publication Activity Database

    Křivčík, J.; Vladařová, J.; Hadrava, J.; Černín, A.; Brožová, Libuše

    2010-01-01

    Roč. 14, - (2010), s. 179-184 ISSN 1944-3994. [Membrane Science and Technology Conference of Visegrad Countries /4./ PERMEA 2009, 07.07.2009-11.07.2009] R&D Projects: GA MPO FT-TA4/116 Institutional research plan: CEZ:AV0Z40500505 Keywords : heterogeneous ion-exchange membrane * membrane modification * particle size of distribution Subject RIV: CG - Electrochemistry Impact factor: 0.752, year: 2010

  1. Membrane Heterogeneity in Akt Activation in Prostate Cancer

    National Research Council Canada - National Science Library

    Hager, Martin H

    2008-01-01

    This project focuses on the novel finding from our group that the serine-threonine kinase Akt1 partitions into specialized membrane microdomains, termed lipid rafts, and that this localization event...

  2. 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

  3. Heterogeneity in Models of Electoral Choice

    OpenAIRE

    Rivers, Douglas

    1983-01-01

    Heterogeneity or the presence of a variety of decision rules in a population has usually been ignored in voting research. A method for handling heterogeneous preferences using rank order data is developed and applied to a simple issue-voting model. The estimated average effect of partisanship is substantially higher when the assumption of homogeneity is relaxed, though many self-identified partisans also use ideological criteria to evaluate candidates and many independents rely on partisan cr...

  4. Nonparametric estimation in models for unobservable heterogeneity

    OpenAIRE

    Hohmann, Daniel

    2014-01-01

    Nonparametric models which allow for data with unobservable heterogeneity are studied. The first publication introduces new estimators and their asymptotic properties for conditional mixture models. The second publication considers estimation of a function from noisy observations of its Radon transform in a Gaussian white noise model.

  5. 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.

  6. Model of monopolistic competition with heterogeneous labor

    Directory of Open Access Journals (Sweden)

    Filatov Alexander

    2017-01-01

    Full Text Available The paper presents a tool for modelling monopolistic competition markets, based on Dixit-Stiglitz ideology but taking into account heterogeneity at labor market. We analyse several modifications of a two-sector general equilibrium model. In the basic one with two levels of workers qualification their shares are determined endogenously on the base of comparison between the higher wage of the skilled worker and heterogeneous education costs, also taking into account the labor mobility between the manufacture and agriculture sector. The model is generalized for the case of continuous distribution of labor qualification. The impact of the model parameters (ratio of fixed and variable costs, market size, heterogeneity in productivity, elasticity of substitution, etc. on the obtained equilibrium prices, quantities, wages, number and size of firms, social welfare is investigated.

  7. Transmembrane helices can induce domain formation in crowded model membranes

    NARCIS (Netherlands)

    Domanski, Jan; Marrink, Siewert J.; Schäfer, Lars V.

    We studied compositionally heterogeneous multi-component model membranes comprised of saturated lipids, unsaturated lipids, cholesterol, and a-helical TM protein models using coarse-grained molecular dynamics simulations. Reducing the mismatch between the length of the saturated and unsaturated

  8. Structure and physical properties of bio membranes and model membranes

    International Nuclear Information System (INIS)

    Tibor Hianik

    2006-01-01

    Bio membranes belong to the most important structures of the cell and the cell organelles. They play not only structural role of the barrier separating the external and internal part of the membrane but contain also various functional molecules, like receptors, ionic channels, carriers and enzymes. The cell membrane also preserves non-equilibrium state in a cell which is crucial for maintaining its excitability and other signaling functions. The growing interest to the bio membranes is also due to their unique physical properties. From physical point of view the bio membranes, that are composed of lipid bilayer into which are incorporated integral proteins and on their surface are anchored peripheral proteins and polysaccharides, represent liquid s crystal of smectic type. The bio membranes are characterized by anisotropy of structural and physical properties. The complex structure of bio membranes makes the study of their physical properties rather difficult. Therefore several model systems that mimic the structure of bio membranes were developed. Among them the lipid monolayers at an air-water interphase, bilayer lipid membranes, supported bilayer lipid membranes and liposomes are most known. This work is focused on the introduction into the physical word of the bio membranes and their models. After introduction to the membrane structure and the history of its establishment, the physical properties of the bio membranes and their models are stepwise presented. The most focus is on the properties of lipid monolayers, bilayer lipid membranes, supported bilayer lipid membranes and liposomes that were most detailed studied. This lecture has tutorial character that may be useful for undergraduate and graduate students in the area of biophysics, biochemistry, molecular biology and bioengineering, however it contains also original work of the author and his co-worker and PhD students, that may be useful also for specialists working in the field of bio membranes and model

  9. Modelling parking behaviour considering heterogeneity

    Energy Technology Data Exchange (ETDEWEB)

    San Martin, G.A.; Ibeas Portilla, A.; Alonso Oreña, B.; Olio, L. del

    2016-07-01

    Most of motorized trips in cities of middle and small size are made in public transport and mainly in private vehicle, this has caused a saturation in parking systems of the cities, causing important problems to society, one of the most important problems is high occupancy of public space by parking systems. Thus, is required the estimation of models that reproduce users’ behaviour when they are choosing for parking in cities, to carry out transport policies to improve transport efficiency and parking systems in the cities. The aim of this paper is the specification and estimation of models that simulate users’ behaviour when they are choosing among alternatives of parking that there are in the city: free on street parking, paid on street parking, paid on underground parking and Park and Ride (now there isn´t). For this purpose, is proposed a multinomial logit model that consider systematic and random variations in tastes. Data of users’ behaviour from the different alternatives of parking have been obtained with a stated preference surveys campaign which have been done in May 2015 in the principal parking zones of the city of Santander. In this paper, we provide a number of improvements to previously developed methodologies because of we consider much more realism to create the scenarios stated preference survey, obtaining better adjustments. (Author)

  10. Spatial heterogeneity of biofouling under different cross-flow velocities in reverse osmosis membrane systems

    KAUST Repository

    Farhat, Nadia; Staal, M.; Bucs, Szilard; Van Loosdrecht, M.C.M.; Vrouwenvelder, Johannes S.

    2016-01-01

    the spatial heterogeneity of biofilm development over the membrane fouling simulator (MFS) length (inlet and outlet part) at three different cross-flow velocities (0.08, 0.12 and 0.16 m/s). The MFS contained sheets of membrane and feed spacer and simulatedComparison of the inlet and outlet position of the MFS showed a more (i) heterogeneous biofilm distribution and a (ii) higher biological activity at the inlet side (first 2.5 cm) for all cross-flow velocities. The lowest cross-flow velocity had

  11. 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.

  12. 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...

  13. Prospect Theory in the Heterogeneous Agent Model

    Czech Academy of Sciences Publication Activity Database

    Polach, J.; Kukačka, Jiří

    (2018) ISSN 1860-711X R&D Projects: GA ČR(CZ) GBP402/12/G097 Institutional support: RVO:67985556 Keywords : Heterogeneous Agent Model * Prospect Theory * Behavioral finance * Stylized facts Subject RIV: AH - Economic s OBOR OECD: Finance Impact factor: 0.931, year: 2016 http://library.utia.cas.cz/separaty/2018/E/kukacka-0488438.pdf

  14. Heterogeneous expectations in monetary DSGE models

    NARCIS (Netherlands)

    Massaro, D.

    2013-01-01

    This paper derives a general New Keynesian framework with heterogeneous expectations by explicitly solving the micro-foundations underpinning the model. The resulting reduced form is analytically tractable and encompasses the representative rational agent benchmark as a special case. We specify a

  15. 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.

  16. Modeling and simulation of heterogeneous catalytic processes

    CERN Document Server

    Dixon, Anthony

    2014-01-01

    Heterogeneous catalysis and mathematical modeling are essential components of the continuing search for better utilization of raw materials and energy, with reduced impact on the environment. Numerical modeling of chemical systems has progressed rapidly due to increases in computer power, and is used extensively for analysis, design and development of catalytic reactors and processes. This book presents reviews of the state-of-the-art in modeling of heterogeneous catalytic reactors and processes. Reviews by leading authorities in the respective areas Up-to-date reviews of latest techniques in modeling of catalytic processes Mix of US and European authors, as well as academic/industrial/research institute perspectives Connections between computation and experimental methods in some of the chapters.

  17. Modelling Configuration Knowledge in Heterogeneous Product Families

    DEFF Research Database (Denmark)

    Queva, Matthieu Stéphane Benoit; Männistö, Tomi; Ricci, Laurent

    2011-01-01

    Product configuration systems play an important role in the development of Mass Customisation. The configuration of complex product families may nowadays involve multiple design disciplines, e.g. hardware, software and services. In this paper, we present a conceptual approach for modelling...... the variability in such heterogeneous product families. Our approach is based on a framework that aims to cater for the different stakeholders involved in the modelling and management of the product family. The modelling approach is centred around the concepts of views, types and constraints and is illustrated...... by a motivation example. Furthermore, as a proof of concept, a prototype has been implemented for configuring a non-trivial heterogeneous product family....

  18. Heterogeneous anion-selective membranes: Influence of a water-soluble component in the membrane on the morphology and ionic conductivity

    Czech Academy of Sciences Publication Activity Database

    Schauer, Jan; Hnát, J.; Brožová, Libuše; Žitka, Jan; Bouzek, K.

    401/402, 15 May (2012), s. 83-88 ISSN 0376-7388 R&D Projects: GA MŠk(CZ) 7E08005 EU Projects: European Commission(XE) 212903 - WELTEMP Institutional research plan: CEZ:AV0Z40500505 Keywords : heterogeneous membrane * anion-exchange membrane * membrane morphology Subject RIV: CD - Macromolecular Chemistry Impact factor: 4.093, year: 2012

  19. Smart predictors in the heterogeneous agent model

    Czech Academy of Sciences Publication Activity Database

    Baruník, Jozef; Vácha, Lukáš; Vošvrda, Miloslav

    2009-01-01

    Roč. 4, č. 2 (2009), s. 163-172 ISSN 1860-711X R&D Projects: GA ČR GP402/08/P207; GA ČR GA402/09/0965 Grant - others:GAUK(CZ) 46108 Institutional research plan: CEZ:AV0Z10750506 Keywords : Heterogeneous agent model * Market structure * Smart traders * Hurst exponent Subject RIV: AH - Economics

  20. Modelling Preference Heterogeneity for Theatre Tickets

    DEFF Research Database (Denmark)

    Baldin, Andrea; Bille, Trine

    2018-01-01

    This article analyses the behavioural choice for theatre tickets using a rich data set for 2010–2013 from the sale system of the Royal Danish National Theatre. A consumer who decides to attend a theatre production faces multiple sources of price variation that involves a choice by the consumer...... among different ticket alternatives. Three modelling approaches are proposed in order to model ticket purchases: conditional logit with socio-demographic characteristics, nested logit and latent class. These models allow us explicitly to take into account consumers’ preference heterogeneity with respect...... of behaviour in the choice of theatre ticket....

  1. 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

  2. Phenotypic heterogeneity in modeling cancer evolution.

    Directory of Open Access Journals (Sweden)

    Ali Mahdipour-Shirayeh

    Full Text Available The unwelcome evolution of malignancy during cancer progression emerges through a selection process in a complex heterogeneous population structure. In the present work, we investigate evolutionary dynamics in a phenotypically heterogeneous population of stem cells (SCs and their associated progenitors. The fate of a malignant mutation is determined not only by overall stem cell and non-stem cell growth rates but also differentiation and dedifferentiation rates. We investigate the effect of such a complex population structure on the evolution of malignant mutations. We derive exactly calculated results for the fixation probability of a mutant arising in each of the subpopulations. The exactly calculated results are in almost perfect agreement with the numerical simulations. Moreover, a condition for evolutionary advantage of a mutant cell versus the wild type population is given in the present study. We also show that microenvironment-induced plasticity in invading mutants leads to more aggressive mutants with higher fixation probability. Our model predicts that decreasing polarity between stem and non-stem cells' turnover would raise the survivability of non-plastic mutants; while it would suppress the development of malignancy for plastic mutants. The derived results are novel and general with potential applications in nature; we discuss our model in the context of colorectal/intestinal cancer (at the epithelium. However, the model clearly needs to be validated through appropriate experimental data. This novel mathematical framework can be applied more generally to a variety of problems concerning selection in heterogeneous populations, in other contexts such as population genetics, and ecology.

  3. Cation-exchange membranes: comparison of homopolymer, block copolymer, and heterogeneous membranes

    Czech Academy of Sciences Publication Activity Database

    Schauer, Jan; Llanos, J.; Žitka, Jan; Hnát, J.; Bouzek, K.

    2012-01-01

    Roč. 124, SI 1 (2012), E66-E72 ISSN 0021-8995 R&D Projects: GA MŠk(CZ) 7E08005 EU Projects: European Commission(XE) 212903 - WELTEMP Institutional research plan: CEZ:AV0Z40500505 Keywords : cation-exchange membranes * poly(phenylene oxide) * poly(ether ketones ) Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.395, year: 2012

  4. Mathematical modeling in mechanics of heterogeneous media

    International Nuclear Information System (INIS)

    Fedorov, A.V.; Fomin, V.M.

    1991-01-01

    The paper reviews the work carried out at the Department of Multi-Phase Media Mechanics of the Institute of Theoretical and Applied Mechanics of the Siberian Division of the USSR Academy of Sciences. It deals with mathematical models for the flow of gas mixtures and solid particles that account for phase transitions and chemical reactions. This work is concerned with the problems of construction of laws of conservation, determination of the type of equations of heterogeneous media mechanics, structure of shock waves, and combined discontinuities in mixtures. The theory of ideal and nonideal detonation in suspension of matter in gases is discussed. Self-similar flows of gas mixtures and responding particles, as well as the problem of breakup of discontinuity for suspension of matter in gases, is studied. 42 refs

  5. Genetic Manipulation of Outer Membrane Permeability: Generating Porous Heterogeneous Catalyst Analogs in Escherichia coli

    Energy Technology Data Exchange (ETDEWEB)

    Patel, TN; Park, AHA; Bantat, S

    2014-12-01

    The limited permeability of the E. coli outer membrane can significantly hinder whole-cell biocatalyst performance. In this study, the SARS coronavirus small envelope protein (SCVE) was expressed in E. coli cells previously engineered for periplasmic expression of carbonic anhydrase (CA) activity. This maneuver increased small molecule uptake by the cells, resulting in increased apparent CA activity of the biocatalysts. The enhancements in activity were quantified using methods developed for traditional heterogeneous catalysis. The expression of the SCVE protein was found to significantly reduce the Thiele moduli (phi), as well as increase the effectiveness factors (eta), effective diffusivities (D-e), and permeabilities (P) of the biocatalysts. These catalytic improvements translated into superior performance of the biocatalysts for the precipitation of calcium carbonate from solution which is an attractive strategy for long-term sequestration of captured carbon dioxide. Overall, these results demonstrate that synthetic biology approaches can be used to enhance heterogeneous catalysts incorporated into microbial whole-cell scaffolds.

  6. Modelling Preference Heterogeneity for Theatre Tickets

    DEFF Research Database (Denmark)

    Baldin, Andrea; Bille, Trine

    This paper analyzes the behavioural choice for theatre tickets using a rich dataset for 2010-2013 from the sale system of the Royal Danish National Theatre. A consumer who decides to attend a theater production faces multiple sources of price variation that depends on: socio-economic characterist......This paper analyzes the behavioural choice for theatre tickets using a rich dataset for 2010-2013 from the sale system of the Royal Danish National Theatre. A consumer who decides to attend a theater production faces multiple sources of price variation that depends on: socio......-economic characteristics, quality of the seat, day of the performance and timing of purchase. Except for the first case, factors of price differentiation involves a choice by the consumer among different ticket alternatives. Two modelling approaches, namely multinomial logit (with socio-demographic characteristics......) and latent class are proposed in order to model ticket purchase behaviour. These models allow us explicitly to take into account consumers' preference heterogeneity with respect to the attributes associated to each ticket alternative In addition, the distribution of the willingness-to-pay (WTP) of choice...

  7. Interaction of Defensins with Model Cell Membranes

    Science.gov (United States)

    Sanders, Lori K.; Schmidt, Nathan W.; Yang, Lihua; Mishra, Abhijit; Gordon, Vernita D.; Selsted, Michael E.; Wong, Gerard C. L.

    2009-03-01

    Antimicrobial peptides (AMPs) comprise a key component of innate immunity for a wide range of multicellular organisms. For many AMPs, activity comes from their ability to selectively disrupt and lyse bacterial cell membranes. There are a number of proposed models for this action, but the detailed molecular mechanism of selective membrane permeation remains unclear. Theta defensins are circularized peptides with a high degree of selectivity. We investigate the interaction of model bacterial and eukaryotic cell membranes with theta defensins RTD-1, BTD-7, and compare them to protegrin PG-1, a prototypical AMP, using synchrotron small angle x-ray scattering (SAXS). The relationship between membrane composition and peptide induced changes in membrane curvature and topology is examined. By comparing the membrane phase behavior induced by these different peptides we will discuss the importance of amino acid composition and placement on membrane rearrangement.

  8. Effect of heterogeneity on the characterization of cell membrane compartments: I. Uniform size and permeability.

    Science.gov (United States)

    Hall, Damien

    2010-03-15

    Observations of the motion of individual molecules in the membrane of a number of different cell types have led to the suggestion that the outer membrane of many eukaryotic cells may be effectively partitioned into microdomains. A major cause of this suggested partitioning is believed to be due to the direct/indirect association of the cytosolic face of the cell membrane with the cortical cytoskeleton. Such intimate association is thought to introduce effective hydrodynamic barriers into the membrane that are capable of frustrating molecular Brownian motion over distance scales greater than the average size of the compartment. To date, the standard analytical method for deducing compartment characteristics has relied on observing the random walk behavior of a labeled lipid or protein at various temporal frequencies and different total lengths of time. Simple theoretical arguments suggest that the presence of restrictive barriers imparts a characteristic turnover to a plot of mean squared displacement versus sampling period that can be interpreted to yield the average dimensions of the compartment expressed as the respective side lengths of a rectangle. In the following series of articles, we used computer simulation methods to investigate how well the conventional analytical strategy coped with heterogeneity in size, shape, and barrier permeability of the cell membrane compartments. We also explored questions relating to the necessary extent of sampling required (with regard to both the recorded time of a single trajectory and the number of trajectories included in the measurement bin) for faithful representation of the actual distribution of compartment sizes found using the SPT technique. In the current investigation, we turned our attention to the analytical characterization of diffusion through cell membrane compartments having both a uniform size and permeability. For this ideal case, we found that (i) an optimum sampling time interval existed for the analysis

  9. Planar Optical Nanoantennas Resolve Cholesterol-Dependent Nanoscale Heterogeneities in the Plasma Membrane of Living Cells

    Science.gov (United States)

    Regmi, Raju; Winkler, Pamina M.; Flauraud, Valentin; Borgman, Kyra J. E.; Manzo, Carlo; Brugger, Jürgen; Rigneault, Hervé; Wenger, Jérôme; García-Parajo, María F.

    2017-10-01

    Optical nanoantennas can efficiently confine light into nanoscopic hotspots, enabling single-molecule detection sensitivity at biological relevant conditions. This innovative approach to breach the diffraction limit offers a versatile platform to investigate the dynamics of individual biomolecules in living cell membranes and their partitioning into cholesterol-dependent lipid nanodomains. Here, we present optical nanoantenna arrays with accessible surface hotspots to study the characteristic diffusion dynamics of phosphoethanolamine (PE) and sphingomyelin (SM) in the plasma membrane of living cells at the nanoscale. Fluorescence burst analysis and fluorescence correlation spectroscopy performed on nanoantennas of different gap sizes show that, unlike PE, SM is transiently trapped in cholesterol-enriched nanodomains of 10 nm diameter with short characteristic times around 100 {\\mu}s. The removal of cholesterol led to the free diffusion of SM, consistent with the dispersion of nanodomains. Our results are consistent with the existence of highly transient and fluctuating nanoscale assemblies enriched by cholesterol and sphingolipids in living cell membranes, also known as lipid rafts. Quantitative data on sphingolipids partitioning into lipid rafts is crucial to understand the spatiotemporal heterogeneous organization of transient molecular complexes on the membrane of living cells at the nanoscale. The proposed technique is fully biocompatible and thus provides various opportunities for biophysics and live cell research to reveal details that remain hidden in confocal diffraction-limited measurements.

  10. Graphene Oxide Membranes with Heterogeneous Nanodomains for Efficient CO2 Separations.

    Science.gov (United States)

    Wang, Shaofei; Xie, Yu; He, Guangwei; Xin, Qingping; Zhang, Jinhui; Yang, Leixin; Li, Yifan; Wu, Hong; Zhang, Yuzhong; Guiver, Michael D; Jiang, Zhongyi

    2017-11-06

    Achieving high membrane performance in terms of gas permeance and carbon dioxide selectivity is an important target in carbon capture. Aiming to manipulate the channel affinity towards CO 2 to implement efficient separations, gas separation membranes containing CO 2 -philic and non-CO 2 -philic nanodomains in the interlayer channels of graphene oxide (GO) were formed by intercalating poly(ethylene glycol) diamines (PEGDA). PEGDA reacts with epoxy groups on the GO surface, constructing CO 2 -philic nanodomains and rendering a high sorption capacity, whereas unreacted GO surfaces give non-CO 2 -philic nanodomains, rendering low-friction diffusion. Owing to the orderly stacking of nanochannels through cross-linking and the heterogeneous nanodomains with moderate CO 2 affinity, a GO-PEGDA500 membrane exhibits a high CO 2 permeance of 175.5 GPU and a CO 2 /CH 4 selectivity of 69.5, which is the highest performance reported for dry-state GO-stacking membranes. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Single-molecule resolution of protein dynamics on polymeric membrane surfaces: the roles of spatial and population heterogeneity.

    Science.gov (United States)

    Langdon, Blake B; Mirhossaini, Roya B; Mabry, Joshua N; Sriram, Indira; Lajmi, Ajay; Zhang, Yanxia; Rojas, Orlando J; Schwartz, Daniel K

    2015-02-18

    Although polymeric membranes are widely used in the purification of protein pharmaceuticals, interactions between biomolecules and membrane surfaces can lead to reduced membrane performance and damage to the product. In this study, single-molecule fluorescence microscopy provided direct observation of bovine serum albumin (BSA) and human monoclonal antibody (IgG) dynamics at the interface between aqueous buffer and polymeric membrane materials including regenerated cellulose and unmodified poly(ether sulfone) (PES) blended with either polyvinylpyrrolidone (PVP), polyvinyl acetate-co-polyvinylpyrrolidone (PVAc-PVP), or polyethylene glycol methacrylate (PEGM) before casting. These polymer surfaces were compared with model surfaces composed of hydrophilic bare fused silica and hydrophobic trimethylsilane-coated fused silica. At extremely dilute protein concentrations (10(-3)-10(-7) mg/mL), protein surface exchange was highly dynamic with protein monomers desorbing from the surface within ∼1 s after adsorption. Protein oligomers (e.g., nonspecific dimers, trimers, or larger aggregates), although less common, remained on the surface for 5 times longer than monomers. Using newly developed super-resolution methods, we could localize adsorption sites with ∼50 nm resolution and quantify the spatial heterogeneity of the various surfaces. On a small anomalous subset of the adsorption sites, proteins adsorbed preferentially and tended to reside for significantly longer times (i.e., on "strong" sites). Proteins resided for shorter times overall on surfaces that were more homogeneous and exhibited fewer strong sites (e.g., PVAc-PVP/PES). We propose that strong surface sites may nucleate protein aggregation, initiated preferentially by protein oligomers, and accelerate ultrafiltration membrane fouling. At high protein concentrations (0.3-1.0 mg/mL), fewer strong adsorption sites were observed, and surface residence times were reduced. This suggests that at high concentrations

  12. Recent progress on lipid lateral heterogeneity in plasma membranes: from rafts to submicrometric domains

    Science.gov (United States)

    Carquin, Mélanie; D'Auria, Ludovic; Pollet, Hélène; Bongarzone, Ernesto R.; Tyteca, Donatienne

    2016-01-01

    The concept of transient nanometric domains known as lipid rafts has brought interest to reassess the validity of the Singer-Nicholson model of a fluid bilayer for cell membranes. However, this new view is still insufficient to explain the cellular control of surface lipid diversity or membrane deformability. During the past decade, the hypothesis that some lipids form large (submicrometric/mesoscale vs nanometric rafts) and stable (> min vs sec) membrane domains has emerged, largely based on indirect methods. Morphological evidence for stable submicrometric lipid domains, well-accepted for artificial and highly specialized biological membranes, was further reported for a variety of living cells from prokaryotes to yeast and mammalian cells. However, results remained questioned based on limitations of available fluorescent tools, use of poor lipid fixatives, and imaging artifacts due to non-resolved membrane projections. In this review, we will discuss recent evidence generated using powerful and innovative approaches such as lipid-specific toxin fragments that support the existence of submicrometric domains. We will integrate documented mechanisms involved in the formation and maintenance of these domains, and provide a perspective on their relevance on membrane deformability and regulation of membrane protein distribution. PMID:26738447

  13. Modelling of heterogeneous clustering in aluminium

    International Nuclear Information System (INIS)

    Smith, A.E.; Bourgeois, L.; Nie, J.-F.; Muddle, B.C.

    2003-01-01

    Full text: Ab initio modelling of heterogeneous clustering in aluminium has been carried out in order to study the precipitation hardening of alloys. This process is based on the addition of small amounts of solute element to the pure metal. With increasing computational power, atomic scale effects can now be better simulated to determine the nature of the hardening mechanism. Comparisons are made between results obtained from two computational packages. These are the Linear Augmented Plane Wave WEEN2K and the plane wave pseudopotential density functional theory package fhi98md. The study of the optimal geometry of very small size clusters inside aluminium has begun with the testing of initial convergence conditions by determination of binding energies for a variety of super cell sizes of the aluminium host crystal. These are compared with total energy calculations for small size precipitates of copper and transition metals of fixed geometry. Such local optimal determinations are seen as precursors to full Monte Carlo calculations of the notional best local geometry for larger precipitates

  14. Modelling firm heterogeneity with spatial 'trends'

    Energy Technology Data Exchange (ETDEWEB)

    Sarmiento, C. [North Dakota State University, Fargo, ND (United States). Dept. of Agricultural Business & Applied Economics

    2004-04-15

    The hypothesis underlying this article is that firm heterogeneity can be captured by spatial characteristics of the firm (similar to the inclusion of a time trend in time series models). The hypothesis is examined in the context of modelling electric generation by coal powered plants in the presence of firm heterogeneity.

  15. Cholesterol catalyses Aβ42 aggregation through a heterogeneous nucleation pathway in the presence of lipid membranes

    Science.gov (United States)

    Habchi, Johnny; Chia, Sean; Galvagnion, Céline; Michaels, Thomas C. T.; Bellaiche, Mathias M. J.; Ruggeri, Francesco Simone; Sanguanini, Michele; Idini, Ilaria; Kumita, Janet R.; Sparr, Emma; Linse, Sara; Dobson, Christopher M.; Knowles, Tuomas P. J.; Vendruscolo, Michele

    2018-06-01

    Alzheimer's disease is a neurodegenerative disorder associated with the aberrant aggregation of the amyloid-β peptide. Although increasing evidence implicates cholesterol in the pathogenesis of Alzheimer's disease, the detailed mechanistic link between this lipid molecule and the disease process remains to be fully established. To address this problem, we adopt a kinetics-based strategy that reveals a specific catalytic role of cholesterol in the aggregation of Aβ42 (the 42-residue form of the amyloid-β peptide). More specifically, we demonstrate that lipid membranes containing cholesterol promote Aβ42 aggregation by enhancing its primary nucleation rate by up to 20-fold through a heterogeneous nucleation pathway. We further show that this process occurs as a result of cooperativity in the interaction of multiple cholesterol molecules with Aβ42. These results identify a specific microscopic pathway by which cholesterol dramatically enhances the onset of Aβ42 aggregation, thereby helping rationalize the link between Alzheimer's disease and the impairment of cholesterol homeostasis.

  16. Emergence of heterogeneity in an agent-based model

    OpenAIRE

    Abdullah, Wan Ahmad Tajuddin Wan

    2002-01-01

    We study an interacting agent model of a game-theoretical economy. The agents play a minority-subsequently-majority game and they learn, using backpropagation networks, to obtain higher payoffs. We study the relevance of heterogeneity to performance, and how heterogeneity emerges.

  17. IDENTIFIABILITY VERSUS HETEROGENEITY IN GROUNDWATER MODELING SYSTEMS

    Directory of Open Access Journals (Sweden)

    A M BENALI

    2003-06-01

    Full Text Available Review of history matching of reservoirs parameters in groundwater flow raises the problem of identifiability of aquifer systems. Lack of identifiability means that there exists parameters to which the heads are insensitive. From the guidelines of the study of the homogeneous case, we inspect the identifiability of the distributed transmissivity field of heterogeneous groundwater aquifers. These are derived from multiple realizations of a random function Y = log T  whose probability distribution function is normal. We follow the identifiability of the autocorrelated block transmissivities through the measure of the sensitivity of the local derivatives DTh = (∂hi  ∕ ∂Tj computed for each sample of a population N (0; σY, αY. Results obtained from an analysis of Monte Carlo type suggest that the more a system is heterogeneous, the less it is identifiable.

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

    KAUST Repository

    Lee, Junggil; Kim, Youngdeuk; Kim, Wooseung; Francis, Lijo; Amy, Gary L.; Ghaffour, NorEddine

    2015-01-01

    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

  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. Modeling heterogeneous unsaturated porous media flow at Yucca Mountain

    International Nuclear Information System (INIS)

    Robey, T.H.

    1994-01-01

    Geologic systems are inherently heterogeneous and this heterogeneity can have a significant impact on unsaturated flow through porous media. Most previous efforts to model groundwater flow through Yucca Mountain have used stratigraphic units with homogeneous properties. However, modeling heterogeneous porous and fractured tuff in a more realistic manner requires numerical methods for generating heterogeneous simulations of the media, scaling of material properties from core scale to computational scale, and flow modeling that allows channeling. The Yucca Mountain test case of the INTRAVAL project is used to test the numerical approaches. Geostatistics is used to generate more realistic representations of the stratigraphic units and heterogeneity within units is generated using sampling from property distributions. Scaling problems are reduced using an adaptive grid that minimizes heterogeneity within each flow element. A flow code based on the dual mixed-finite-element method that allows for heterogeneity and channeling is employed. In the Yucca Mountain test case, the simulated volumetric water contents matched the measured values at drill hole USW UZ-16 except in the nonwelded portion of Prow Pass

  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 description of heterogeneities of permeability within groundwater flow models

    International Nuclear Information System (INIS)

    Cacas, M.C.; Lachassagne, P.; Ledoux, E.; Marsily, G. de

    1991-01-01

    In order to model radionuclide migration in the geosphere realistically at the field scale, the hydrogeologist needs to be able to simulate groundwater flow in heterogeneous media. Heterogeneity of the medium can be described using a stochastic approach, that affects the way in which a flow model is formulated. In this paper, we discuss the problems that we have encountered in modelling both continuous and fractured media. The stochastic approach leads to a methodology that enables local measurements of permeability to be integrated into a model which gives a good prediction of groundwater flow on a regional scale. 5 Figs.; 8 Refs

  3. 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.

  4. 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.

  5. A Membrane Model from Implicit Elasticity Theory

    Science.gov (United States)

    Freed, A. D.; Liao, J.; Einstein, D. R.

    2014-01-01

    A Fungean solid is derived for membranous materials as a body defined by isotropic response functions whose mathematical structure is that of a Hookean solid where the elastic constants are replaced by functions of state derived from an implicit, thermodynamic, internal-energy function. The theory utilizes Biot’s (1939) definitions for stress and strain that, in 1-dimension, are the stress/strain measures adopted by Fung (1967) when he postulated what is now known as Fung’s law. Our Fungean membrane model is parameterized against a biaxial data set acquired from a porcine pleural membrane subjected to three, sequential, proportional, planar extensions. These data support an isotropic/deviatoric split in the stress and strain-rate hypothesized by our theory. These data also demonstrate that the material response is highly non-linear but, otherwise, mechanically isotropic. These data are described reasonably well by our otherwise simple, four-parameter, material model. PMID:24282079

  6. Fluid Methods for Modeling Large, Heterogeneous Networks

    National Research Council Canada - National Science Library

    Towsley, Don; Gong, Weibo; Hollot, Kris; Liu, Yong; Misra, Vishal

    2005-01-01

    .... The resulting fluid models were used to develop novel active queue management mechanisms resulting in more stable TCP performance and novel rate controllers for the purpose of providing minimum rate...

  7. Modeling Approaches for Describing Microbial Population Heterogeneity

    DEFF Research Database (Denmark)

    Lencastre Fernandes, Rita

    environmental conditions. Three cases are presented and discussed in this thesis. Common to all is the use of S. cerevisiae as model organism, and the use of cell size and cell cycle position as single-cell descriptors. The first case focuses on the experimental and mathematical description of a yeast...

  8. INTEGRATION OF HETEROGENOUS DIGITAL SURFACE MODELS

    Directory of Open Access Journals (Sweden)

    R. Boesch

    2012-08-01

    Full Text Available The application of extended digital surface models often reveals, that despite an acceptable global accuracy for a given dataset, the local accuracy of the model can vary in a wide range. For high resolution applications which cover the spatial extent of a whole country, this can be a major drawback. Within the Swiss National Forest Inventory (NFI, two digital surface models are available, one derived from LiDAR point data and the other from aerial images. Automatic photogrammetric image matching with ADS80 aerial infrared images with 25cm and 50cm resolution is used to generate a surface model (ADS-DSM with 1m resolution covering whole switzerland (approx. 41000 km2. The spatially corresponding LiDAR dataset has a global point density of 0.5 points per m2 and is mainly used in applications as interpolated grid with 2m resolution (LiDAR-DSM. Although both surface models seem to offer a comparable accuracy from a global view, local analysis shows significant differences. Both datasets have been acquired over several years. Concerning LiDAR-DSM, different flight patterns and inconsistent quality control result in a significantly varying point density. The image acquisition of the ADS-DSM is also stretched over several years and the model generation is hampered by clouds, varying illumination and shadow effects. Nevertheless many classification and feature extraction applications requiring high resolution data depend on the local accuracy of the used surface model, therefore precise knowledge of the local data quality is essential. The commercial photogrammetric software NGATE (part of SOCET SET generates the image based surface model (ADS-DSM and delivers also a map with figures of merit (FOM of the matching process for each calculated height pixel. The FOM-map contains matching codes like high slope, excessive shift or low correlation. For the generation of the LiDAR-DSM only first- and last-pulse data was available. Therefore only the point

  9. Wavelets and Sentiment in the Heterogeneous Agents Model

    Czech Academy of Sciences Publication Activity Database

    Vácha, Lukáš; Vošvrda, Miloslav

    2008-01-01

    Roč. 15, č. 25 (2008), s. 41-56 ISSN 1212-074X R&D Projects: GA ČR GP402/08/P207; GA ČR GA402/07/1113; GA ČR(CZ) GA402/06/0990 Institutional research plan: CEZ:AV0Z10750506 Keywords : heterogeneous agents model * market sentiment * Hurst exponent * wavelets Subject RIV: AH - Economics http://library.utia.cas.cz/separaty/2008/E/vacha-wavelets and sentiment in the heterogeneous agents model.pdf

  10. Smart Agents and Sentiment in the Heterogeneous Agent Model

    Czech Academy of Sciences Publication Activity Database

    Vácha, Lukáš; Baruník, Jozef; Vošvrda, Miloslav

    2009-01-01

    Roč. 18, č. 3 (2009), s. 209-219 ISSN 1210-0455 R&D Projects: GA MŠk(CZ) LC06075; GA ČR GP402/08/P207; GA ČR(CZ) GA402/09/0965 Institutional research plan: CEZ:AV0Z10750506 Keywords : heterogeneous agent model * market structure * smart traders * Hurst exponent Subject RIV: AH - Economics http://library.utia.cas.cz/separaty/2009/E/vacha- smart agent s and sentiment in the heterogeneous agent model.pdf

  11. Viscosity of Heterogeneous Silicate Melts: A Non-Newtonian Model

    Science.gov (United States)

    Liu, Zhuangzhuang; Blanpain, Bart; Guo, Muxing

    2017-12-01

    The recently published viscosity data of heterogeneous silicate melts with well-documented structure and experimental conditions are critically re-analyzed and tabulated. By using these data, a non-Newtonian viscosity model incorporating solid fraction, solid shape, and shear rate is proposed on the basis of the power-law equation. This model allows calculating the viscosity of the heterogeneous silicate melts with solid fraction up to 34 vol pct. The error between the calculated and measured data is evaluated to be 32 pct, which is acceptable considering the large error in viscosity measurement of the completely liquid silicate melt.

  12. Vertically Integrated Models for Carbon Storage Modeling in Heterogeneous Domains

    Science.gov (United States)

    Bandilla, K.; Celia, M. A.

    2017-12-01

    Numerical modeling is an essential tool for studying the impacts of geologic carbon storage (GCS). Injection of carbon dioxide (CO2) into deep saline aquifers leads to multi-phase flow (injected CO2 and resident brine), which can be described by a set of three-dimensional governing equations, including mass-balance equation, volumetric flux equations (modified Darcy), and constitutive equations. This is the modeling approach on which commonly used reservoir simulators such as TOUGH2 are based. Due to the large density difference between CO2 and brine, GCS models can often be simplified by assuming buoyant segregation and integrating the three-dimensional governing equations in the vertical direction. The integration leads to a set of two-dimensional equations coupled with reconstruction operators for vertical profiles of saturation and pressure. Vertically-integrated approaches have been shown to give results of comparable quality as three-dimensional reservoir simulators when applied to realistic CO2 injection sites such as the upper sand wedge at the Sleipner site. However, vertically-integrated approaches usually rely on homogeneous properties over the thickness of a geologic layer. Here, we investigate the impact of general (vertical and horizontal) heterogeneity in intrinsic permeability, relative permeability functions, and capillary pressure functions. We consider formations involving complex fluvial deposition environments and compare the performance of vertically-integrated models to full three-dimensional models for a set of hypothetical test cases consisting of high permeability channels (streams) embedded in a low permeability background (floodplains). The domains are randomly generated assuming that stream channels can be represented by sinusoidal waves in the plan-view and by parabolas for the streams' cross-sections. Stream parameters such as width, thickness and wavelength are based on values found at the Ketzin site in Germany. Results from the

  13. Modelling Waterfall Retreat in Heterogenous Bedrock

    Science.gov (United States)

    Attal, M.; Hodge, R. A.; Williams, R.; Baynes, E.

    2016-12-01

    Bedrock rivers are the mediators of environmental change through mountainous landscapes. In response to an increase in uplift rate for example, a "knickpoint" (often materialised as a waterfall) will propagate upstream, separating a domain downstream where the river and its adjacent hillslopes have steepened in response to the change from a "relict" domain upstream which is adjusted to the conditions before the change (Crosby and Whipple 2006). Many studies assume that knickpoint propagation rate scales with drainage area, based on the stream power theory. However, recent studies in a range of locations have found no obvious relationship between knickpoint retreat rate and drainage area, potentially resulting from the stream power law neglecting (i) the influence of sediment on the processes associated with waterfall migration and (ii) thresholds for bedrock detachment (Cook et al. 2013; Mackey et al. 2014; DiBiase et al. 2015; Baynes et al. 2015; Brocard et al. 2016). In this study, we develop a 1D model of waterfall retreat in horizontally bedded bedrock with varying joint spacing. In the model, knickpoint migration is based on two rules: a waterfall will start migrating once the threshold flow depth (a function of knickpoint height and joint spacing) has been exceeded (Lamb and Dietrich 2009), and the migration rate will then be a function of the water-depth-to-waterfall-height ratio, based on experimental results by Baynes (2015). Using a hydrograph based on a Poisson rectangular pulse rainfall simulator (Tucker and Bras 2001), we demonstrate the importance of structure in controlling the speed at which waterfalls migrate but also their number and the length over which they are distributed (Fig. 1). The model is applied to the Jökulsá á Fjöllum, NE Iceland, where rapid migration of waterfalls as a result of discrete events has been identified (Baynes et al. 2015), using new constraints on joint spacing derived from high resolution lidar survey of the gorge

  14. 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.

  15. Connectivity ranking of heterogeneous random conductivity models

    Science.gov (United States)

    Rizzo, C. B.; de Barros, F.

    2017-12-01

    To overcome the challenges associated with hydrogeological data scarcity, the hydraulic conductivity (K) field is often represented by a spatial random process. The state-of-the-art provides several methods to generate 2D or 3D random K-fields, such as the classic multi-Gaussian fields or non-Gaussian fields, training image-based fields and object-based fields. We provide a systematic comparison of these models based on their connectivity. We use the minimum hydraulic resistance as a connectivity measure, which it has been found to be strictly correlated with early time arrival of dissolved contaminants. A computationally efficient graph-based algorithm is employed, allowing a stochastic treatment of the minimum hydraulic resistance through a Monte-Carlo approach and therefore enabling the computation of its uncertainty. The results show the impact of geostatistical parameters on the connectivity for each group of random fields, being able to rank the fields according to their minimum hydraulic resistance.

  16. Membrane Compartmentalization Reducing the Mobility of Lipids and Proteins within a Model Plasma Membrane.

    Science.gov (United States)

    Koldsø, Heidi; Reddy, Tyler; Fowler, Philip W; Duncan, Anna L; Sansom, Mark S P

    2016-09-01

    The cytoskeleton underlying cell membranes may influence the dynamic organization of proteins and lipids within the bilayer by immobilizing certain transmembrane (TM) proteins and forming corrals within the membrane. Here, we present coarse-grained resolution simulations of a biologically realistic membrane model of asymmetrically organized lipids and TM proteins. We determine the effects of a model of cytoskeletal immobilization of selected membrane proteins using long time scale coarse-grained molecular dynamics simulations. By introducing compartments with varying degrees of restraints within the membrane models, we are able to reveal how compartmentalization caused by cytoskeletal immobilization leads to reduced and anomalous diffusional mobility of both proteins and lipids. This in turn results in a reduced rate of protein dimerization within the membrane and of hopping of membrane proteins between compartments. These simulations provide a molecular realization of hierarchical models often invoked to explain single-molecule imaging studies of membrane proteins.

  17. Critical Review of Membrane Bioreactor Models

    DEFF Research Database (Denmark)

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

    2012-01-01

    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...... 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...

  18. 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

  19. Formal heterogeneous system modeling with SystemC

    DEFF Research Database (Denmark)

    Niaki, Seyed Hosein Attarzadeh; Jakobsen, Mikkel Koefoed; Sulonen, Tero

    2012-01-01

    Electronic System Level (ESL) design of embedded systems proposes raising the abstraction level of the design entry to cope with the increasing complexity of such systems. To exploit the benefits of ESL, design languages should allow specification of models which are a) heterogeneous, to describe...

  20. Directional heterogeneity in WTP models for environmental valuation

    NARCIS (Netherlands)

    Schaafsma, M.; Brouwer, R.; Rose, J.

    2012-01-01

    Many studies in the stated preference literature on environmental valuation do not include the effects of substitutes and distance in willingness-to-pay (WTP) models, in spite of the relevance of these effects in aggregation and benefit transfer. Heterogeneity in the availability of substitutes over

  1. Heterogeneous Agent Model with Memory and Asset Price Behaviour

    Czech Academy of Sciences Publication Activity Database

    Vošvrda, Miloslav; Vácha, Lukáš

    2003-01-01

    Roč. 12, č. 2 (2003), s. 155-168 ISSN 1210-0455 R&D Projects: GA ČR GA402/00/0439; GA ČR GA402/01/0034 Institutional research plan: CEZ:AV0Z1075907 Keywords : efficient markets hypothesis * technical trading rules * heterogeneous agent model with memory and learning Subject RIV: AH - Economics

  2. Heterogeneous Community-based mobility model for human opportunistic network

    DEFF Research Database (Denmark)

    Hu, Liang; Dittmann, Lars

    2009-01-01

    a heterogeneous community-based random way-point (HC-RWP) mobility model that captures the four important properties of real human mobility. These properties are based on both intuitive observations of daily human mobility and analysis of empirical mobility traces. By discrete event simulation, we show HC...

  3. Heterogenous Agents Model with the Worst Out Algorithm

    Czech Academy of Sciences Publication Activity Database

    Vácha, Lukáš; Vošvrda, Miloslav

    -, č. 8 (2006), s. 3-19 ISSN 1801-5999 Institutional research plan: CEZ:AV0Z10750506 Keywords : efficient market hypothesis * fractal market hypothesis * agents' investment horizons * agents' trading strategies * technical trading rules * heterogeneous agent model with stochastic memory * Worst out algorithm Subject RIV: AH - Economics

  4. Stability of model membranes in extreme environments.

    Science.gov (United States)

    Namani, Trishool; Deamer, David W

    2008-08-01

    The first forms of cellular life required a source of amphiphilic compounds capable of assembling into stable boundary structures. Membranes composed of fatty acids have been proposed as model systems of primitive membranes, but their bilayer structure is stable only within a narrow pH range and low ionic strength. They are particularly sensitive to aggregating effects of divalent cations (Mg+2, Ca+2, Fe+2) that would be present in Archaean sea water. Here we report that mixtures of alkyl amines and fatty acids form vesicles at strongly basic and acidic pH ranges which are resistant to the effects of divalent cations up to 0.1 M. Vesicles formed by mixtures of decylamine and decanoic acid (1:1 mole ratio) are relatively permeable to pyranine, a fluorescent anionic dye, but permeability could be reduced by adding 2 mol% of a polycyclic aromatic hydrocarbon such as pyrene. Permeability to the dye was also reduced by increasing the chain length of the amphiphiles. For instance, 1:1 mole ratio mixtures of dodecylamine and dodecanoic acid were able to retain pyranine dye during and following gel filtration. We conclude that primitive cell membranes were likely to be composed of mixtures of amphiphilic and hydrophobic molecules that manifested increased stability over pure fatty acid membranes.

  5. 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...

  6. Modeling connected and autonomous vehicles in heterogeneous traffic flow

    Science.gov (United States)

    Ye, Lanhang; Yamamoto, Toshiyuki

    2018-01-01

    The objective of this study was to develop a heterogeneous traffic-flow model to study the possible impact of connected and autonomous vehicles (CAVs) on the traffic flow. Based on a recently proposed two-state safe-speed model (TSM), a two-lane cellular automaton (CA) model was developed, wherein both the CAVs and conventional vehicles were incorporated in the heterogeneous traffic flow. In particular, operation rules for CAVs are established considering the new characteristics of this emerging technology, including autonomous driving through the adaptive cruise control and inter-vehicle connection via short-range communication. Simulations were conducted under various CAV-penetration rates in the heterogeneous flow. The impact of CAVs on the road capacity was numerically investigated. The simulation results indicate that the road capacity increases with an increase in the CAV-penetration rate within the heterogeneous flow. Up to a CAV-penetration rate of 30%, the road capacity increases gradually; the effect of the difference in the CAV capability on the growth rate is insignificant. When the CAV-penetration rate exceeds 30%, the growth rate is largely decided by the capability of the CAV. The greater the capability, the higher the road-capacity growth rate. The relationship between the CAV-penetration rate and the road capacity is numerically analyzed, providing some insights into the possible impact of the CAVs on traffic systems.

  7. Tumor heterogeneity and progression: conceptual foundations for modeling.

    Science.gov (United States)

    Greller, L D; Tobin, F L; Poste, G

    1996-01-01

    A conceptual foundation for modeling tumor progression, growth, and heterogeneity is presented. The purpose of such models is to aid understanding, test ideas, formulate experiments, and to model cancer 'in machina' to address the dynamic features of tumor cell heterogeneity, progression, and growth. The descriptive capabilities of such an approach provides a consistent language for qualitatively reasoning about tumor behavior. This approach provides a schema for building conceptual models that combine three key phenomenological driving elements: growth, progression, and genetic instability. The growth element encompasses processes contributing to changes in tumor bulk and is distinct from progression per se. The progression element subsumes a broad collection of processes underlying phenotypic progression. The genetics elements represents heritable changes which potentially affect tumor character and behavior. Models, conceptual and mathematical, can be built for different tumor situations by drawing upon the interaction of these three distinct driving elements. These models can be used as tools to explore a diversity of hypotheses concerning dynamic changes in cellular populations during tumor progression, including the generation of intratumor heterogeneity. Such models can also serve to guide experimentation and to gain insight into dynamic aspects of complex tumor behavior.

  8. 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

  9. Probabilistic models for reactive behaviour in heterogeneous condensed phase media

    Science.gov (United States)

    Baer, M. R.; Gartling, D. K.; DesJardin, P. E.

    2012-02-01

    This work presents statistically-based models to describe reactive behaviour in heterogeneous energetic materials. Mesoscale effects are incorporated in continuum-level reactive flow descriptions using probability density functions (pdfs) that are associated with thermodynamic and mechanical states. A generalised approach is presented that includes multimaterial behaviour by treating the volume fraction as a random kinematic variable. Model simplifications are then sought to reduce the complexity of the description without compromising the statistical approach. Reactive behaviour is first considered for non-deformable media having a random temperature field as an initial state. A pdf transport relationship is derived and an approximate moment approach is incorporated in finite element analysis to model an example application whereby a heated fragment impacts a reactive heterogeneous material which leads to a delayed cook-off event. Modelling is then extended to include deformation effects associated with shock loading of a heterogeneous medium whereby random variables of strain, strain-rate and temperature are considered. A demonstrative mesoscale simulation of a non-ideal explosive is discussed that illustrates the joint statistical nature of the strain and temperature fields during shock loading to motivate the probabilistic approach. This modelling is derived in a Lagrangian framework that can be incorporated in continuum-level shock physics analysis. Future work will consider particle-based methods for a numerical implementation of this modelling approach.

  10. Averaging principle for second-order approximation of heterogeneous models with homogeneous models.

    Science.gov (United States)

    Fibich, Gadi; Gavious, Arieh; Solan, Eilon

    2012-11-27

    Typically, models with a heterogeneous property are considerably harder to analyze than the corresponding homogeneous models, in which the heterogeneous property is replaced by its average value. In this study we show that any outcome of a heterogeneous model that satisfies the two properties of differentiability and symmetry is O(ε(2)) equivalent to the outcome of the corresponding homogeneous model, where ε is the level of heterogeneity. We then use this averaging principle to obtain new results in queuing theory, game theory (auctions), and social networks (marketing).

  11. Averaging principle for second-order approximation of heterogeneous models with homogeneous models

    Science.gov (United States)

    Fibich, Gadi; Gavious, Arieh; Solan, Eilon

    2012-01-01

    Typically, models with a heterogeneous property are considerably harder to analyze than the corresponding homogeneous models, in which the heterogeneous property is replaced by its average value. In this study we show that any outcome of a heterogeneous model that satisfies the two properties of differentiability and symmetry is O(ɛ2) equivalent to the outcome of the corresponding homogeneous model, where ɛ is the level of heterogeneity. We then use this averaging principle to obtain new results in queuing theory, game theory (auctions), and social networks (marketing). PMID:23150569

  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. A Catalytically Active Membrane Reactor for Fast, Highly Exothermic, Heterogeneous Gas Reactions. A Pilot Plant Study

    NARCIS (Netherlands)

    Veldsink, Jan W.; Versteeg, Geert F.; Swaaij, Wim P.M. van

    1995-01-01

    Membrane reactors have been frequently studied because of their ability to combine chemical activity and separation properties into one device. Due to their thermal stability and mechanical strength, ceramic membranes are preferred over polymeric ones, but small transmembrane fluxes obstruct a

  14. A catalytically membrane reactor for fast, highly exothermic, heterogeneous gas reactions : a pilot plant study

    NARCIS (Netherlands)

    Veldsink, J.W.; Veldsink, J.W.; Versteeg, Geert; van Swaaij, Willibrordus Petrus Maria

    1995-01-01

    Membrane reactors have been frequently studied because of their ability to combine chemical activity and separation properties into one device. Due to their thermal stability and mechanical strength, ceramic membranes are preferred over polymeric ones, but small transmembrane fluxes obstruct a

  15. Human Lipoproteins at Model Cell Membranes

    DEFF Research Database (Denmark)

    Browning, K L; Lind, T K; Maric, S

    2017-01-01

    High and low density lipoproteins (HDL and LDL) are thought to play vital roles in the onset and development of atherosclerosis; the biggest killer in the western world. Key issues of initial lipoprotein (LP) interactions at cellular membranes need to be addressed including LP deposition and lipid...... exchange. Here we present a protocol for monitoring the in situ kinetics of lipoprotein deposition and lipid exchange/removal at model cellular membranes using the non-invasive, surface sensitive methods of neutron reflection and quartz crystal microbalance with dissipation. For neutron reflection, lipid...... support the notion of HDL acting as the 'good' cholesterol, removing lipid material from lipid-loaded cells, whereas LDL acts as the 'bad' cholesterol, depositing lipid material into the vascular wall....

  16. Accounting for small scale heterogeneity in ecohydrologic watershed models

    Science.gov (United States)

    Burke, W.; Tague, C.

    2017-12-01

    Spatially distributed ecohydrologic models are inherently constrained by the spatial resolution of their smallest units, below which land and processes are assumed to be homogenous. At coarse scales, heterogeneity is often accounted for by computing store and fluxes of interest over a distribution of land cover types (or other sources of heterogeneity) within spatially explicit modeling units. However this approach ignores spatial organization and the lateral transfer of water and materials downslope. The challenge is to account both for the role of flow network topology and fine-scale heterogeneity. We present a new approach that defines two levels of spatial aggregation and that integrates spatially explicit network approach with a flexible representation of finer-scale aspatial heterogeneity. Critically, this solution does not simply increase the resolution of the smallest spatial unit, and so by comparison, results in improved computational efficiency. The approach is demonstrated by adapting Regional Hydro-Ecologic Simulation System (RHESSys), an ecohydrologic model widely used to simulate climate, land use, and land management impacts. We illustrate the utility of our approach by showing how the model can be used to better characterize forest thinning impacts on ecohydrology. Forest thinning is typically done at the scale of individual trees, and yet management responses of interest include impacts on watershed scale hydrology and on downslope riparian vegetation. Our approach allow us to characterize the variability in tree size/carbon reduction and water transfers between neighboring trees while still capturing hillslope to watershed scale effects, Our illustrative example demonstrates that accounting for these fine scale effects can substantially alter model estimates, in some cases shifting the impacts of thinning on downslope water availability from increases to decreases. We conclude by describing other use cases that may benefit from this approach

  17. A heterogeneous lattice gas model for simulating pedestrian evacuation

    Science.gov (United States)

    Guo, Xiwei; Chen, Jianqiao; Zheng, Yaochen; Wei, Junhong

    2012-02-01

    Based on the cellular automata method (CA model) and the mobile lattice gas model (MLG model), we have developed a heterogeneous lattice gas model for simulating pedestrian evacuation processes in an emergency. A local population density concept is introduced first. The update rule in the new model depends on the local population density and the exit crowded degree factor. The drift D, which is one of the key parameters influencing the evacuation process, is allowed to change according to the local population density of the pedestrians. Interactions including attraction, repulsion, and friction between every two pedestrians and those between a pedestrian and the building wall are described by a nonlinear function of the corresponding distance, and the repulsion forces increase sharply as the distances get small. A critical force of injury is introduced into the model, and its effects on the evacuation process are investigated. The model proposed has heterogeneous features as compared to the MLG model or the basic CA model. Numerical examples show that the model proposed can capture the basic features of pedestrian evacuation, such as clogging and arching phenomena.

  18. Homogeneous versus heterogeneous shielding modeling of spent-fuel casks

    International Nuclear Information System (INIS)

    Carbajo, J.J.; Lindner, C.N.

    1992-01-01

    The design of spent-fuel casks for storage and transport requires modeling the cask for criticality, shielding, thermal, and structural analyses. While some parts of the cask are homogeneous, other regions are heterogeneous with different materials intermixed. For simplicity, some of the heterogeneous regions may be modeled as homogeneous. This paper evaluates the effect of homogenizing some regions of a cask on calculating radiation dose rates outside the cask. The dose rate calculations were performed with the one-dimensional discrete ordinates shielding XSDRNPM code coupled with the XSDOSE code and with the three-dimensional QAD-CGGP code. Dose rates were calculated radially at the midplane of the cask at two locations, cask surface and 2.3 m from the radial surface. The last location corresponds to a point 2 m from the lateral sides of a transport railroad car

  19. Heterogeneous modelling and finite element analysis of the femur

    Directory of Open Access Journals (Sweden)

    Zhang Binkai

    2017-01-01

    Full Text Available As the largest and longest bone in the human body, the femur has important research value and application prospects. This paper introduces a fast reconstruction method with Mimics and ANSYS software to realize the heterogeneous modelling of the femur according to Hu distribution of the CT series, and simulates it in various situations by finite element analysis to study the mechanical characteristics of the femur. The femoral heterogeneous model shows the distribution of bone mineral density and material properties, which can be used to assess the diagnosis and treatment of bone diseases. The stress concentration position of the femur under different conditions can be calculated by the simulation, which can provide reference for the design and material selection of prosthesis.

  20. 3D modeling of carbonates petro-acoustic heterogeneities

    Science.gov (United States)

    Baden, Dawin; Guglielmi, Yves; Saracco, Ginette; Marié, Lionel; Viseur, Sophie

    2015-04-01

    Characterizing carbonate reservoirs heterogeneity is a challenging issue for Oil & Gas Industry, CO2 sequestration and all kinds of fluid manipulations in natural reservoirs, due to the significant impact of heterogeneities on fluid flow and storage within the reservoir. Although large scale (> meter) heterogeneities such as layers petrophysical contrasts are well addressed by computing facies-based models, low scale (ultrasonic apparatus and using different sensors allowing acoustic characterization through a bandwidth varying from 50 to 500 kHz. Comprehensive measurements realized on each samples allowed statistical analyses of petro-acoustic properties such as attenuation, shear and longitudinal wave velocity. The cores properties (geological and acoustic facies) were modeled in 3D using photogrammetry and GOCAD geo-modeler. This method successfully allowed detecting and imaging in three dimensions differential diagenesis effects characterized by the occurrence of decimeter-scale diagenetic horizons in samples assumed to be homogeneous and/or different diagenetic sequences between shells filling and the packing matrix. We then discuss how small interfaces such as cracks, stylolithes and laminations which are also imaged may have guided these differential effects, considering that understanding the processes may be taken as an analogue to actual fluid drainage complexity in deep carbonate reservoir.

  1. Heterogeneous characters modeling of instant message services users' online behavior.

    Science.gov (United States)

    Cui, Hongyan; Li, Ruibing; Fang, Yajun; Horn, Berthold; Welsch, Roy E

    2018-01-01

    Research on temporal characteristics of human dynamics has attracted much attentions for its contribution to various areas such as communication, medical treatment, finance, etc. Existing studies show that the time intervals between two consecutive events present different non-Poisson characteristics, such as power-law, Pareto, bimodal distribution of power-law, exponential distribution, piecewise power-law, et al. With the occurrences of new services, new types of distributions may arise. In this paper, we study the distributions of the time intervals between two consecutive visits to QQ and WeChat service, the top two popular instant messaging services in China, and present a new finding that when the value of statistical unit T is set to 0.001s, the inter-event time distribution follows a piecewise distribution of exponential and power-law, indicating the heterogeneous character of IM services users' online behavior in different time scales. We infer that the heterogeneous character is related to the communication mechanism of IM and the habits of users. Then we develop a combination model of exponential model and interest model to characterize the heterogeneity. Furthermore, we find that the exponent of the inter-event time distribution of the same service is different in two cities, which is correlated with the popularity of the services. Our research is useful for the application of information diffusion, prediction of economic development of cities, and so on.

  2. Heterogeneous characters modeling of instant message services users' online behavior.

    Directory of Open Access Journals (Sweden)

    Hongyan Cui

    Full Text Available Research on temporal characteristics of human dynamics has attracted much attentions for its contribution to various areas such as communication, medical treatment, finance, etc. Existing studies show that the time intervals between two consecutive events present different non-Poisson characteristics, such as power-law, Pareto, bimodal distribution of power-law, exponential distribution, piecewise power-law, et al. With the occurrences of new services, new types of distributions may arise. In this paper, we study the distributions of the time intervals between two consecutive visits to QQ and WeChat service, the top two popular instant messaging services in China, and present a new finding that when the value of statistical unit T is set to 0.001s, the inter-event time distribution follows a piecewise distribution of exponential and power-law, indicating the heterogeneous character of IM services users' online behavior in different time scales. We infer that the heterogeneous character is related to the communication mechanism of IM and the habits of users. Then we develop a combination model of exponential model and interest model to characterize the heterogeneity. Furthermore, we find that the exponent of the inter-event time distribution of the same service is different in two cities, which is correlated with the popularity of the services. Our research is useful for the application of information diffusion, prediction of economic development of cities, and so on.

  3. Heterogeneous characters modeling of instant message services users’ online behavior

    Science.gov (United States)

    Fang, Yajun; Horn, Berthold

    2018-01-01

    Research on temporal characteristics of human dynamics has attracted much attentions for its contribution to various areas such as communication, medical treatment, finance, etc. Existing studies show that the time intervals between two consecutive events present different non-Poisson characteristics, such as power-law, Pareto, bimodal distribution of power-law, exponential distribution, piecewise power-law, et al. With the occurrences of new services, new types of distributions may arise. In this paper, we study the distributions of the time intervals between two consecutive visits to QQ and WeChat service, the top two popular instant messaging services in China, and present a new finding that when the value of statistical unit T is set to 0.001s, the inter-event time distribution follows a piecewise distribution of exponential and power-law, indicating the heterogeneous character of IM services users’ online behavior in different time scales. We infer that the heterogeneous character is related to the communication mechanism of IM and the habits of users. Then we develop a combination model of exponential model and interest model to characterize the heterogeneity. Furthermore, we find that the exponent of the inter-event time distribution of the same service is different in two cities, which is correlated with the popularity of the services. Our research is useful for the application of information diffusion, prediction of economic development of cities, and so on. PMID:29734327

  4. Biophysical studies of cholesterol in unsaturated phospholipid model membranes

    Science.gov (United States)

    Williams, Justin Adam

    Cellular membranes contain a staggering diversity of lipids. The lipids are heterogeneously distributed to create regions, or domains, whose physical properties differ from the bulk membrane and play an essential role in modulating the function of resident proteins. Many basic questions pertaining to the formation of these lateral assemblies remain. This research employs model membranes of well-defined composition to focus on the potential role of polyunsaturated fatty acids (PUFAs) and their interaction with cholesterol (chol) in restructuring the membrane environment. Omega-3 (n-3) PUFAs are the main bioactive components of fish oil, whose consumption alleviates a variety of health problems by a molecular mechanism that is unclear. We hypothesize that the incorporation of PUFAs into membrane lipids and the effect they have on molecular organization may be, in part, responsible. Chol is a major constituent in the plasma membrane of mammals. It determines the arrangement and collective properties of neighboring lipids, driving the formation of domains via differential affinity for different lipids. The molecular organization of 1-[2H31]palmitoyl-2-eicosapentaenoylphosphatidylcholine (PEPC-d31) and 1-[2H31]palmitoyl-2-docosahexaenoylphosphatidylcholine (PDPC-d31) in membranes with sphingomyelin (SM) and chol (1:1:1 mol) was compared by solid-state 2H NMR spectroscopy. Eicosapentaenoic (EPA) and docosahexaenoic (DHA) acids are the two major n-3 PUFAs found in fish oil, while PEPC-d31 and PDPC-d31 are phospholipids containing the respective PUFAs at the sn-2 position and a perdeuterated palmitic acid at the sn-1 position. Analysis of spectra recorded as a function of temperature indicates that in both cases, formation of PUFA-rich (less ordered) and SM-rich (more ordered) domains occurred. A surprisingly substantial proportion of PUFA was found to infiltrate the more ordered domain. There was almost twice as much DHA (65%) as EPA (30%). The implication is that n-3

  5. The nonsteroidal anti-inflammatory drug indomethacin induces heterogeneity in lipid membranes: potential implication for its diverse biological action.

    Directory of Open Access Journals (Sweden)

    Yong Zhou

    2010-01-01

    Full Text Available The nonsteroidal anti-inflammatory drug (NSAID, indomethacin (Indo, has a large number of divergent biological effects, the molecular mechanism(s for which have yet to be fully elucidated. Interestingly, Indo is highly amphiphilic and associates strongly with lipid membranes, which influence localization, structure and function of membrane-associating proteins and actively regulate cell signaling events. Thus, it is possible that Indo regulates diverse cell functions by altering micro-environments within the membrane. Here we explored the effect of Indo on the nature of the segregated domains in a mixed model membrane composed of dipalmitoyl phosphatidyl-choline (di16:0 PC, or DPPC and dioleoyl phosphatidyl-choline (di18:1 PC or DOPC and cholesterol that mimics biomembranes.Using a series of fluorescent probes in a fluorescence resonance energy transfer (FRET study, we found that Indo induced separation between gel domains and fluid domains in the mixed model membrane, possibly by enhancing the formation of gel-phase domains. This effect originated from the ability of Indo to specifically target the ordered domains in the mixed membrane. These findings were further confirmed by measuring the ability of Indo to affect the fluidity-dependent fluorescence quenching and the level of detergent resistance of membranes.Because the tested lipids are the main lipid constituents in cell membranes, the observed formation of gel phase domains induced by Indo potentially occurs in biomembranes. This marked Indo-induced change in phase behavior potentially alters membrane protein functions, which contribute to the wide variety of biological activities of Indo and other NSAIDs.

  6. Tumour model with intrusive morphology, progressive phenotypical heterogeneity and memory

    Science.gov (United States)

    Atangana, Abdon; Alqahtani, Rubayyi T.

    2018-03-01

    The model of a tumour, taking into account invasive morphology, progressive phenotypical heterogeneity and also memory, is developed and analyzed in this paper. Three models are investigated: first we consider the model describing the proliferation concentrates in proximity of tumour boundaries, in which the oxygen levels are pronounced. Then we consider the model where the oxygen around the tumour is considered to be unchanged by the vascular system. Finally, we investigate the model of growth of tumours using the concept of non-local operators with the Mittag-Leffler kernel. We provide the numerical solution using the extended 3/8 Simpson method for the new trends of fractional integration for the proliferation concentrates in the proximity of the tumour model. Then we provide the exact solutions of the Gompertz model with three different fractional differentiations involving power law, exponential decay law and the Mittag-Leffler law.

  7. Modeling in biopharmaceutics, pharmacokinetics and pharmacodynamics homogeneous and heterogeneous approaches

    CERN Document Server

    Macheras, Panos

    2016-01-01

    The state of the art in Biopharmaceutics, Pharmacokinetics, and Pharmacodynamics Modeling is presented in this new second edition book. It shows how advanced physical and mathematical methods can expand classical models in order to cover heterogeneous drug-biological processes and therapeutic effects in the body. The book is divided into four parts; the first deals with the fundamental principles of fractals, diffusion and nonlinear dynamics; the second with drug dissolution, release, and absorption; the third with epirical, compartmental, and stochastic pharmacokinetic models, with two new chapters, one on fractional pharmacokinetics and one on bioequivalence; and the fourth mainly with classical and nonclassical aspects of pharmacodynamics. The classical models that have relevance and application to these sciences are also considered throughout. This second edition has new information on reaction limited models of dissolution, non binary biopharmaceutic classification system, time varying models, and interf...

  8. Advances in nonmarket valuation econometrics: Spatial heterogeneity in hedonic pricing models and preference heterogeneity in stated preference models

    Science.gov (United States)

    Yoo, Jin Woo

    In my 1st essay, the study explores Pennsylvania residents. willingness to pay for development of renewable energy technologies such as solar power, wind power, biomass electricity, and other renewable energy using a choice experiment method. Principle component analysis identified 3 independent attitude components that affect the variation of preference, a desire for renewable energy and environmental quality and concern over cost. The results show that urban residents have a higher desire for environmental quality and concern less about cost than rural residents and consequently have a higher willingness to pay to increase renewable energy production. The results of sub-sample analysis show that a representative respondent in rural (urban) Pennsylvania is willing to pay 3.8(5.9) and 4.1(5.7)/month for increasing the share of Pennsylvania electricity generated from wind power and other renewable energy by 1 percent point, respectively. Mean WTP for solar and biomass electricity was not significantly different from zero. In my second essay, heterogeneity of individual WTP for various renewable energy technologies is investigated using several different variants of the multinomial logit model: a simple MNL with interaction terms, a latent class choice model, a random parameter mixed logit choice model, and a random parameter-latent class choice model. The results of all models consistently show that respondents. preference for individual renewable technology is heterogeneous, but the degree of heterogeneity differs for different renewable technologies. In general, the random parameter logit model with interactions and a hybrid random parameter logit-latent class model fit better than other models and better capture respondents. heterogeneity of preference for renewable energy. The impact of the land under agricultural conservation easement (ACE) contract on the values of nearby residential properties is investigated using housing sales data in two Pennsylvania

  9. Enthalpy recovery in glassy materials: Heterogeneous versus homogenous models

    Science.gov (United States)

    Mazinani, Shobeir K. S.; Richert, Ranko

    2012-05-01

    Models of enthalpy relaxations of glasses are the basis for understanding physical aging, scanning calorimetry, and other phenomena that involve non-equilibrium and non-linear dynamics. We compare models in terms of the nature of the relaxation dynamics, heterogeneous versus homogeneous, with focus on the Kovacs-Aklonis-Hutchinson-Ramos (KAHR) and the Tool-Narayanaswamy-Moynihan (TNM) approaches. Of particular interest is identifying the situations for which experimental data are capable of discriminating the heterogeneous from the homogeneous scenario. The ad hoc assumption of a single fictive temperature, Tf, is common to many models, including KAHR and TNM. It is shown that only for such single-Tf models, enthalpy relaxation of a glass is a two-point correlation function in reduced time, implying that experimental results are not decisive regarding the underlying nature of the dynamics of enthalpy relaxation. We also find that the restriction of the common TNM model to a Kohlrausch-Williams-Watts type relaxation pattern limits the applicability of this approach, as the particular choice regarding the distribution of relaxation times is a more critical factor compared with isothermal relaxation experiments. As a result, significant improvements in fitting calorimetry data can be achieved with subtle adjustments in the underlying relaxation time distribution.

  10. Radiative transfer model for heterogeneous 3-D scenes

    Science.gov (United States)

    Kimes, D. S.; Kirchner, J. A.

    1982-01-01

    A general mathematical framework for simulating processes in heterogeneous 3-D scenes is presented. Specifically, a model was designed and coded for application to radiative transfers in vegetative scenes. The model is unique in that it predicts (1) the directional spectral reflectance factors as a function of the sensor's azimuth and zenith angles and the sensor's position above the canopy, (2) the spectral absorption as a function of location within the scene, and (3) the directional spectral radiance as a function of the sensor's location within the scene. The model was shown to follow known physical principles of radiative transfer. Initial verification of the model as applied to a soybean row crop showed that the simulated directional reflectance data corresponded relatively well in gross trends to the measured data. However, the model can be greatly improved by incorporating more sophisticated and realistic anisotropic scattering algorithms

  11. Modeling in biopharmaceutics, pharmacokinetics, and pharmacodynamics homogeneous and heterogeneous approaches

    CERN Document Server

    Macheras, Panos

    2006-01-01

    The state of the art in Biopharmaceutics, Pharmacokinetics, and Pharmacodynamics Modeling is presented in this book. It shows how advanced physical and mathematical methods can expand classical models in order to cover heterogeneous drug-biological processes and therapeutic effects in the body. The book is divided into four parts; the first deals with the fundamental principles of fractals, diffusion and nonlinear dynamics; the second with drug dissolution, release, and absorption; the third with empirical, compartmental, and stochastic pharmacokinetic models, and the fourth mainly with nonclassical aspects of pharmacodynamics. The classical models that have relevance and application to these sciences are also considered throughout. Many examples are used to illustrate the intrinsic complexity of drug administration related phenomena in the human, justifying the use of advanced modeling methods. This timely and useful book will appeal to graduate students and researchers in pharmacology, pharmaceutical scienc...

  12. Membrane interaction of antimicrobial peptides using E. coli lipid extract as model bacterial cell membranes and SFG spectroscopy.

    Science.gov (United States)

    Soblosky, Lauren; Ramamoorthy, Ayyalusamy; Chen, Zhan

    2015-04-01

    Supported lipid bilayers are used as a convenient model cell membrane system to study biologically important molecule-lipid interactions in situ. However, the lipid bilayer models are often simple and the acquired results with these models may not provide all pertinent information related to a real cell membrane. In this work, we use sum frequency generation (SFG) vibrational spectroscopy to study molecular-level interactions between the antimicrobial peptides (AMPs) MSI-594, ovispirin-1 G18, magainin 2 and a simple 1,2-dipalmitoyl-d62-sn-glycero-3-phosphoglycerol (dDPPG)/1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol (POPG) bilayer. We compared such interactions to those between the AMPs and a more complex dDPPG/Escherichia coli (E. coli) polar lipid extract bilayer. We show that to fully understand more complex aspects of peptide-bilayer interaction, such as interaction kinetics, a heterogeneous lipid composition is required, such as the E. coli polar lipid extract. The discrepancy in peptide-bilayer interaction is likely due in part to the difference in bilayer charge between the two systems since highly negative charged lipids can promote more favorable electrostatic interactions between the peptide and lipid bilayer. Results presented in this paper indicate that more complex model bilayers are needed to accurately analyze peptide-cell membrane interactions and demonstrates the importance of using an appropriate lipid composition to study AMP interaction properties. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

  13. Heterogeneous ion-exchange membranes based on sulfonated poly(1,4-phenylene sulfide)

    Czech Academy of Sciences Publication Activity Database

    Schauer, Jan; Kůdela, Vlastimil; Richau, K.; Mohr, R.

    2006-01-01

    Roč. 198, 1-3 (2006), s. 256-264 ISSN 0011-9164 R&D Projects: GA ČR GA203/05/0080 Institutional research plan: CEZ:AV0Z40500505 Keywords : poly(1,4-phenylene sulfide) sulfonated * ion-exchange membrane Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.917, year: 2006

  14. Heterogeneous membranes based on a composite of a hypercrosslinked microparticle adsorbent and polyimide binder

    Czech Academy of Sciences Publication Activity Database

    Hradil, Jiří; Sysel, P.; Brožová, Libuše; Kovářová, Jana; Kotek, Jiří

    2007-01-01

    Roč. 67, č. 5 (2007), s. 432-441 ISSN 1381-5148 R&D Projects: GA ČR GA104/03/0680 Institutional research plan: CEZ:AV0Z40500505 Keywords : membrane * hypercrosslinked adsorbent * polyimide Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.720, year: 2007

  15. Modelling of heterogenous neutron leakages in a nuclear reactor

    International Nuclear Information System (INIS)

    Wohleber, X.

    1997-01-01

    The TIBERE Model is a neutron leakage method based on B 1 heterogeneous transport equation resolution. In this work, we have studied the influence of the reflection mode at the boundary of the assembly. In particular the White boundary condition has been implemented in the APOLLO2 neutron transport code. We have compared the two TIBERE kinds of boundary conditions (specular and white) with the classical B 1 homogeneous leakage method in the modelling of some reactors. We have remarked the better capability of the TIBERE Model to compute voided assemblies. The white boundary condition is also able to compute a completely voided assembly and, besides, wins a factor 10 in CPU time in comparison with the specular boundary condition. These two heterogenous leakage formalisms have been tested on a partially voided experiment and have shown that the TIBERE Model can compute this kind of situation with a greater precision than the classical B 1 homogeneous leakage method, and with a shorter computational time. (author)

  16. Analysis of Surface Heterogeneity Effects with Mesoscale Terrestrial Modeling Platforms

    Science.gov (United States)

    Simmer, C.

    2015-12-01

    An improved understanding of the full variability in the weather and climate system is crucial for reducing the uncertainty in weather forecasting and climate prediction, and to aid policy makers to develop adaptation and mitigation strategies. A yet unknown part of uncertainty in the predictions from the numerical models is caused by the negligence of non-resolved land surface heterogeneity and the sub-surface dynamics and their potential impact on the state of the atmosphere. At the same time, mesoscale numerical models using finer horizontal grid resolution [O(1)km] can suffer from inconsistencies and neglected scale-dependencies in ABL parameterizations and non-resolved effects of integrated surface-subsurface lateral flow at this scale. Our present knowledge suggests large-eddy-simulation (LES) as an eventual solution to overcome the inadequacy of the physical parameterizations in the atmosphere in this transition scale, yet we are constrained by the computational resources, memory management, big-data, when using LES for regional domains. For the present, there is a need for scale-aware parameterizations not only in the atmosphere but also in the land surface and subsurface model components. In this study, we use the recently developed Terrestrial Systems Modeling Platform (TerrSysMP) as a numerical tool to analyze the uncertainty in the simulation of surface exchange fluxes and boundary layer circulations at grid resolutions of the order of 1km, and explore the sensitivity of the atmospheric boundary layer evolution and convective rainfall processes on land surface heterogeneity.

  17. Accounting for household heterogeneity in general equilibrium economic growth models

    International Nuclear Information System (INIS)

    Melnikov, N.B.; O'Neill, B.C.; Dalton, M.G.

    2012-01-01

    We describe and evaluate a new method of aggregating heterogeneous households that allows for the representation of changing demographic composition in a multi-sector economic growth model. The method is based on a utility and labor supply calibration that takes into account time variations in demographic characteristics of the population. We test the method using the Population-Environment-Technology (PET) model by comparing energy and emissions projections employing the aggregate representation of households to projections representing different household types explicitly. Results show that the difference between the two approaches in terms of total demand for energy and consumption goods is negligible for a wide range of model parameters. Our approach allows the effects of population aging, urbanization, and other forms of compositional change on energy demand and CO 2 emissions to be estimated and compared in a computationally manageable manner using a representative household under assumptions and functional forms that are standard in economic growth models.

  18. Smart Agents and Sentiment in the Heterogeneous Agent Model

    Czech Academy of Sciences Publication Activity Database

    Vácha, Lukáš; Baruník, Jozef; Vošvrda, Miloslav

    -, č. 81 (2010), s. 39-40 ISSN 0926-4981 R&D Projects: GA ČR(CZ) GA402/09/0965; GA ČR GP402/08/P207 Grant - others:GAUK(CZ) GAUK 46108 Institutional research plan: CEZ:AV0Z10750506 Keywords : Smart traders * price movements * smart traders concept Subject RIV: AH - Economics http://library.utia.cas.cz/separaty/2010/E/vacha- smart agent s and sentiment in the heterogeneous agent model.pdf

  19. Heterogeneous Agents Model with the Worst Out Algorithm

    Czech Academy of Sciences Publication Activity Database

    Vošvrda, Miloslav; Vácha, Lukáš

    I, č. 1 (2007), s. 54-66 ISSN 1802-4696 R&D Projects: GA MŠk(CZ) LC06075; GA ČR(CZ) GA402/06/0990 Grant - others:GA UK(CZ) 454/2004/A-EK/FSV Institutional research plan: CEZ:AV0Z10750506 Keywords : Efficient Market s Hypothesis * Fractal Market Hypothesis * agents' investment horizons * agents' trading strategies * technical trading rules * heterogeneous agent model with stochastic memory * Worst out Algorithm Subject RIV: AH - Economics

  20. Experimental oligopolies modeling: A dynamic approach based on heterogeneous behaviors

    Science.gov (United States)

    Cerboni Baiardi, Lorenzo; Naimzada, Ahmad K.

    2018-05-01

    In the rank of behavioral rules, imitation-based heuristics has received special attention in economics (see [14] and [12]). In particular, imitative behavior is considered in order to understand the evidences arising in experimental oligopolies which reveal that the Cournot-Nash equilibrium does not emerge as unique outcome and show that an important component of the production at the competitive level is observed (see e.g.[1,3,9] or [7,10]). By considering the pioneering groundbreaking approach of [2], we build a dynamical model of linear oligopolies where heterogeneous decision mechanisms of players are made explicit. In particular, we consider two different types of quantity setting players characterized by different decision mechanisms that coexist and operate simultaneously: agents that adaptively adjust their choices towards the direction that increases their profit are embedded with imitator agents. The latter ones use a particular form of proportional imitation rule that considers the awareness about the presence of strategic interactions. It is noteworthy that the Cournot-Nash outcome is a stationary state of our models. Our thesis is that the chaotic dynamics arousing from a dynamical model, where heterogeneous players are considered, are capable to qualitatively reproduce the outcomes of experimental oligopolies.

  1. Monodisperse Platinum and Rhodium Nanoparticles as Model Heterogeneous Catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Grass, Michael Edward [Univ. of California, Berkeley, CA (United States)

    2008-09-01

    Model heterogeneous catalysts have been synthesized and studied to better understand how the surface structure of noble metal nanoparticles affects catalytic performance. In this project, monodisperse rhodium and platinum nanoparticles of controlled size and shape have been synthesized by solution phase polyol reduction, stabilized by polyvinylpyrrolidone (PVP). Model catalysts have been developed using these nanoparticles by two methods: synthesis of mesoporous silica (SBA-15) in the presence of nanoparticles (nanoparticle encapsulation, NE) to form a composite of metal nanoparticles supported on SBA-15 and by deposition of the particles onto a silicon wafer using Langmuir-Blodgett (LB) monolayer deposition. The particle shapes were analyzed by transmission electron microscopy (TEM) and high resolution TEM (HRTEM) and the sizes were determined by TEM, X-ray diffraction (XRD), and in the case of NE samples, room temperature H2 and CO adsorption isotherms. Catalytic studies were carried out in homebuilt gas-phase reactors. For the nanoparticles supported on SBA-15, the catalysts are in powder form and were studied using the homebuilt systems as plug-flow reactors. In the case of nanoparticles deposited on silicon wafers, the same systems were operated as batch reactors. This dissertation has focused on the synthesis, characterization, and reaction studies of model noble metal heterogeneous catalysts. Careful control of particle size and shape has been accomplished though solution phase synthesis of Pt and Rh nanoparticles in order to elucidate further structure-reactivity relationships in noble metal catalysis.

  2. Modelling long-distance seed dispersal in heterogeneous landscapes.

    Energy Technology Data Exchange (ETDEWEB)

    Levey, Douglas, J.; Tewlsbury, Joshua, J.; Bolker, Benjamin, M.

    2008-01-01

    1. Long-distance seed dispersal is difficult to measure, yet key to understanding plant population dynamics and community composition. 2. We used a spatially explicit model to predict the distribution of seeds dispersed long distances by birds into habitat patches of different shapes. All patches were the same type of habitat and size, but varied in shape. They occurred in eight experimental landscapes, each with five patches of four different shapes, 150 m apart in a matrix of mature forest. The model was parameterized with smallscale movement data collected from field observations of birds. In a previous study we validated the model by testing its predictions against observed patterns of seed dispersal in real landscapes with the same types and spatial configuration of patches as in the model. 3. Here we apply the model more broadly, examining how patch shape influences the probability of seed deposition by birds into patches, how dispersal kernels (distributions of dispersal distances) vary with patch shape and starting location, and how movement of seeds between patches is affected by patch shape. 4. The model predicts that patches with corridors or other narrow extensions receive higher numbers of seeds than patches without corridors or extensions. This pattern is explained by edgefollowing behaviour of birds. Dispersal distances are generally shorter in heterogeneous landscapes (containing patchy habitat) than in homogeneous landscapes, suggesting that patches divert the movement of seed dispersers, ‘holding’ them long enough to increase the probability of seed defecation in the patches. Dispersal kernels for seeds in homogeneous landscapes were smooth, whereas those in heterogenous landscapes were irregular. In both cases, long-distance (> 150 m) dispersal was surprisingly common, usually comprising approximately 50% of all dispersal events. 5. Synthesis . Landscape heterogeneity has a large influence on patterns of long-distance seed dispersal. Our

  3. Homogeneous vs. heterogeneous membranes for the application in PEM type fuel cells

    Czech Academy of Sciences Publication Activity Database

    Bouzek, K.; Cílová, Z.; Podubecká, P.; Paidar, M.; Schauer, Jan

    2006-01-01

    Roč. 200, 1-3 (2006), s. 650-652 ISSN 0011-9164. [Conference Euromembrane. Giardini Naxos - Taormina, 24.09.2006-28.09.2006] R&D Projects: GA ČR GA203/05/0080 Institutional research plan: CEZ:AV0Z40500505 Keywords : polymer membranes * poly(phenylene oxide) * poly(phenylene sulfide) Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.917, year: 2006

  4. Heterogeneous traffic flow modelling using second-order macroscopic continuum model

    Science.gov (United States)

    Mohan, Ranju; Ramadurai, Gitakrishnan

    2017-01-01

    Modelling heterogeneous traffic flow lacking in lane discipline is one of the emerging research areas in the past few years. The two main challenges in modelling are: capturing the effect of varying size of vehicles, and the lack in lane discipline, both of which together lead to the 'gap filling' behaviour of vehicles. The same section length of the road can be occupied by different types of vehicles at the same time, and the conventional measure of traffic concentration, density (vehicles per lane per unit length), is not a good measure for heterogeneous traffic modelling. First aim of this paper is to have a parsimonious model of heterogeneous traffic that can capture the unique phenomena of gap filling. Second aim is to emphasize the suitability of higher-order models for modelling heterogeneous traffic. Third, the paper aims to suggest area occupancy as concentration measure of heterogeneous traffic lacking in lane discipline. The above mentioned two main challenges of heterogeneous traffic flow are addressed by extending an existing second-order continuum model of traffic flow, using area occupancy for traffic concentration instead of density. The extended model is calibrated and validated with field data from an arterial road in Chennai city, and the results are compared with those from few existing generalized multi-class models.

  5. Industrial Membrane Filtration and Short-bed Fractal Separation Systems for Separating Monomers from Heterogeneous Plant Material

    Energy Technology Data Exchange (ETDEWEB)

    Kearney, M; Kochergin, V; Hess, R; Foust, T; Herbst, R; Mann, N

    2005-03-31

    Large-scale displacement of petroleum will come from low-cost cellulosic feedstocks such as straw and corn stover crop residues. This project has taken a step toward making this projection a reality by reducing capital and energy costs, the two largest cost factors associated with converting cellulosic biomass to chemicals and fuels. The technology exists for using acid or enzyme hydrolysis processes to convert biomass feedstock (i.e., waste cellulose such as straw, corn stover, and wood) into their base monomeric sugar building blocks, which can, in turn, be processed into chemicals and fuels using a number of innovative fermentation technologies. However, while these processes are technically possible, practical and economic barriers make these processes only marginally feasible or not feasible at all. These barriers are due in part to the complexity and large fixed and recurring capital costs of unit operations including filtration, chromatographic separation, and ion exchange. This project was designed to help remove these barriers by developing and implementing new purification and separation technologies that will reduce the capital costs of the purification and chromatographic separation units by 50% to 70%. The technologies fundamental to these improvements are: (a) highly efficient clarification and purification systems that use screening and membrane filtration to eliminate suspended solids and colloidal material from feed streams and (b) fractal technology based chromatographic separation and ion exchange systems that can substitute for conventional systems but at much smaller size and cost. A non-hazardous ''raw sugar beet juice'' stream (75 to 100 gal/min) was used for prototype testing of these technologies. This raw beet juice stream from the Amalgamated Sugar LLC plant in Twin Falls, Idaho contained abrasive materials and membrane foulants. Its characteristics were representative of an industrial-scale heterogeneous plant extract

  6. Multiscale Molecular Dynamics Model for Heterogeneous Charged Systems

    Science.gov (United States)

    Stanton, L. G.; Glosli, J. N.; Murillo, M. S.

    2018-04-01

    Modeling matter across large length scales and timescales using molecular dynamics simulations poses significant challenges. These challenges are typically addressed through the use of precomputed pair potentials that depend on thermodynamic properties like temperature and density; however, many scenarios of interest involve spatiotemporal variations in these properties, and such variations can violate assumptions made in constructing these potentials, thus precluding their use. In particular, when a system is strongly heterogeneous, most of the usual simplifying assumptions (e.g., spherical potentials) do not apply. Here, we present a multiscale approach to orbital-free density functional theory molecular dynamics (OFDFT-MD) simulations that bridges atomic, interionic, and continuum length scales to allow for variations in hydrodynamic quantities in a consistent way. Our multiscale approach enables simulations on the order of micron length scales and 10's of picosecond timescales, which exceeds current OFDFT-MD simulations by many orders of magnitude. This new capability is then used to study the heterogeneous, nonequilibrium dynamics of a heated interface characteristic of an inertial-confinement-fusion capsule containing a plastic ablator near a fuel layer composed of deuterium-tritium ice. At these scales, fundamental assumptions of continuum models are explored; features such as the separation of the momentum fields among the species and strong hydrogen jetting from the plastic into the fuel region are observed, which had previously not been seen in hydrodynamic simulations.

  7. Modeling of GPR Clutter Caused by Soil Heterogeneity

    Directory of Open Access Journals (Sweden)

    Kazunori Takahashi

    2012-01-01

    Full Text Available In small-scale measurements, ground-penetrating radar (GPR often uses a higher frequency to detect a small object or structural changes in the ground. GPR becomes more sensitive to the natural heterogeneity of the soil when a higher frequency is used. Soil heterogeneity scatters electromagnetic waves, and the scattered waves are in part observed as unwanted reflections that are often referred to as clutter. Data containing a great amount of clutter are difficult to analyze and interpret because clutter disturbs reflections from objects of interest. Therefore, modeling GPR clutter is useful to assess the effectiveness of GPR measurements. In this paper, the development of such a technique is discussed. This modeling technique requires the permittivity distribution of soil (or its geostatistical properties and gives a nominal value of clutter power. The paper demonstrates the technique with the comparison to the data from a GPR time-lapse measurement. The proposed technique is discussed in regard to its applicability and limitations based on the results.

  8. Ion transport Modeling in a Bipolar Membrane

    International Nuclear Information System (INIS)

    Kim, Jung Soo; Park, Kwang Heon; Kim, Kwang Wook

    2010-01-01

    The COL(Carbonate-based Oxidative Leaching) process is an environmentally-friendly technique for collecting only uranium from spent fuel with oxidation leaching/ precipitation of carbonate solution. The bipolar membrane used for the electrolyte circulation of the salt used in the COL process is a special form of ion exchange membrane which combines CEM(cation exchange membrane) and AEM(anion exchange membrane). After arranging positive ion exchange layer toward negative terminal and positive ion exchange layer toward positive terminal, then supply electricity, water molecules are decomposed into protons and hydroxyl ions by a strong electric field in the transition region inside bipolar membrane.1) In this study, a theoretical approach to increase the efficiency of Na + and NO3 - ion collecting device using bipolar membrane was taken and simulating using the COMSOL program was tried. The details of results are also discussed

  9. Heterogeneous anion conducting membranes based on linear and crosslinked KOH doped polybenzimidazole for alkaline water electrolysis

    DEFF Research Database (Denmark)

    Aili, David; Hansen, Martin Kalmar; Renzaho, Richard Fulgence

    2013-01-01

    Polybenzimidazole is a highly hygroscopic polymer that can be doped with aqueous KOH to give a material with high ion conductivity in the 10−2Scm−1 range, which in combination with its low gas permeability makes it an interesting electrolyte material for alkaline water electrolysis. In this study...... on their linear counterpart. The technical feasibility of the membranes was evaluated by the preliminary water electrolysis tests showing performance comparable to that of commercially available cell separators with great potential of further improvement....

  10. Understanding intratumor heterogeneity by combining genome analysis and mathematical modeling.

    Science.gov (United States)

    Niida, Atsushi; Nagayama, Satoshi; Miyano, Satoru; Mimori, Koshi

    2018-04-01

    Cancer is composed of multiple cell populations with different genomes. This phenomenon called intratumor heterogeneity (ITH) is supposed to be a fundamental cause of therapeutic failure. Therefore, its principle-level understanding is a clinically important issue. To achieve this goal, an interdisciplinary approach combining genome analysis and mathematical modeling is essential. For example, we have recently performed multiregion sequencing to unveil extensive ITH in colorectal cancer. Moreover, by employing mathematical modeling of cancer evolution, we demonstrated that it is possible that this ITH is generated by neutral evolution. In this review, we introduce recent advances in a research field related to ITH and also discuss strategies for exploiting novel findings on ITH in a clinical setting. © 2018 The Authors. Cancer Science published by John Wiley & Sons Australia, Ltd on behalf of Japanese Cancer Association.

  11. Torsion of DNA modeled as a heterogeneous fluctuating rod

    Science.gov (United States)

    Argudo, David; Purohit, Prashant K.

    2014-01-01

    We discuss the statistical mechanics of a heterogeneous elastic rod with bending, twisting and stretching. Our model goes beyond earlier works where only homogeneous rods were considered in the limit of high forces and long lengths. Our methods allow us to consider shorter fluctuating rods for which boundary conditions can play an important role. We use our theory to study structural transitions in torsionally constrained DNA where there is coexistence of states with different effective properties. In particular, we examine whether a newly discovered left-handed DNA conformation called L-DNA is a mixture of two known states. We also use our model to investigate the mechanical effects of the binding of small molecules to DNA. For both these applications we make experimentally falsifiable predictions.

  12. A discrete model for compressible flows in heterogeneous media

    International Nuclear Information System (INIS)

    Le Metayer, O.; Massol, A.; Favrie, N.; Hank, S.

    2011-01-01

    This work deals with the building of a discrete model able to describe and to predict the evolution of complex gas flows in heterogeneous media. In many physical applications, large scales numerical simulation is no longer possible because of a lack of computing resources. Indeed the medium topology may be complex due to the presence of many obstacles (walls, pipes, equipments, geometric singularities etc.). Aircraft powerplant compartments are examples where topology is complex due to the presence of pipes, ducts, coolers and other equipment. Other important examples are gas explosions and large scale dispersion of hazardous materials in urban places, cities or underground involving obstacles such as buildings and various infrastructures. In all cases efficient safety responses are required. Then a new discrete model is built and solved in reasonable execution times for large cells volumes including such obstacles. Quantitative comparisons between experimental and numerical results are shown for different significant test cases, showing excellent agreement.

  13. Stylized facts from a threshold-based heterogeneous agent model

    Science.gov (United States)

    Cross, R.; Grinfeld, M.; Lamba, H.; Seaman, T.

    2007-05-01

    A class of heterogeneous agent models is investigated where investors switch trading position whenever their motivation to do so exceeds some critical threshold. These motivations can be psychological in nature or reflect behaviour suggested by the efficient market hypothesis (EMH). By introducing different propensities into a baseline model that displays EMH behaviour, one can attempt to isolate their effects upon the market dynamics. The simulation results indicate that the introduction of a herding propensity results in excess kurtosis and power-law decay consistent with those observed in actual return distributions, but not in significant long-term volatility correlations. Possible alternatives for introducing such long-term volatility correlations are then identified and discussed.

  14. Modeling and Analysis of New Products Diffusion on Heterogeneous Networks

    Directory of Open Access Journals (Sweden)

    Shuping Li

    2014-01-01

    Full Text Available We present a heterogeneous networks model with the awareness stage and the decision-making stage to explain the process of new products diffusion. If mass media is neglected in the decision-making stage, there is a threshold whether the innovation diffusion is successful or not, or else it is proved that the network model has at least one positive equilibrium. For networks with the power-law degree distribution, numerical simulations confirm analytical results, and also at the same time, by numerical analysis of the influence of the network structure and persuasive advertisements on the density of adopters, we give two different products propagation strategies for two classes of nodes in scale-free networks.

  15. 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

    2017-06-07

    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.

  16. Empirical membrane lifetime model for heavy duty fuel cell systems

    Science.gov (United States)

    Macauley, Natalia; Watson, Mark; Lauritzen, Michael; Knights, Shanna; Wang, G. Gary; Kjeang, Erik

    2016-12-01

    Heavy duty fuel cells used in transportation system applications such as transit buses expose the fuel cell membranes to conditions that can lead to lifetime-limiting membrane failure via combined chemical and mechanical degradation. Highly durable membranes and reliable predictive models are therefore needed in order to achieve the ultimate heavy duty fuel cell lifetime target of 25,000 h. In the present work, an empirical membrane lifetime model was developed based on laboratory data from a suite of accelerated membrane durability tests. The model considers the effects of cell voltage, temperature, oxygen concentration, humidity cycling, humidity level, and platinum in the membrane using inverse power law and exponential relationships within the framework of a general log-linear Weibull life-stress statistical distribution. The obtained model is capable of extrapolating the membrane lifetime from accelerated test conditions to use level conditions during field operation. Based on typical conditions for the Whistler, British Columbia fuel cell transit bus fleet, the model predicts a stack lifetime of 17,500 h and a membrane leak initiation time of 9200 h. Validation performed with the aid of a field operated stack confirmed the initial goal of the model to predict membrane lifetime within 20% of the actual operating time.

  17. 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

  18. Modeling and Analysis of Wrinkled Membranes: An Overview

    Science.gov (United States)

    Yang, B.; Ding, H.; Lou, M.; Fang, H.; Broduer, Steve (Technical Monitor)

    2001-01-01

    Thin-film membranes are basic elements of a variety of space inflatable/deployable structures. Wrinkling degrades the performance and reliability of these membrane structures, and hence has been a topic of continued interest. Wrinkling analysis of membranes for general geometry and arbitrary boundary conditions is quite challenging. The objective of this presentation is two-fold. Firstly, the existing models of wrinkled membranes and related numerical solution methods are reviewed. The important issues to be discussed are the capability of a membrane model to characterize taut, wrinkled and slack states of membranes in a consistent and physically reasonable manner; the ability of a wrinkling analysis method to predict the formation and growth of wrinkled regions, and to determine out-of-plane deformation and wrinkled waves; the convergence of a numerical solution method for wrinkling analysis; and the compatibility of a wrinkling analysis with general-purpose finite element codes. According to this review, several opening issues in modeling and analysis of wrinkled membranes that are to be addressed in future research are summarized, The second objective of this presentation is to discuss a newly developed membrane model of two viable parameters (2-VP model) and associated parametric finite element method (PFEM) for wrinkling analysis are introduced. The innovations and advantages of the proposed membrane model and PFEM-based wrinkling analysis are: (1) Via a unified stress-strain relation; the 2-VP model treat the taut, wrinkled, and slack states of membranes consistently; (2) The PFEM-based wrinkling analysis has guaranteed convergence; (3) The 2-VP model along with PFEM is capable of predicting membrane out-of-plane deformations; and (4) The PFEM can be integrated into any existing finite element code. Preliminary numerical examples are also included in this presentation to demonstrate the 2-VP model and PFEM-based wrinkling analysis approach.

  19. 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 ...

  20. Modeling of Multicomponent Mixture Separation Processes Using Hollow fiber Membrane

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Sin-Ah; Kim, Jin-Kuk; Lee, Young Moo; Yeo, Yeong-Koo [Hanyang University, Seoul (Korea, Republic of)

    2015-02-15

    So far, most of research activities on modeling of membrane separation processes have been focused on binary feed mixture. But, in actual separation operations, binary feed is hard to find and most separation processes involve multicomponent feed mixture. In this work models for membrane separation processes treating multicomponent feed mixture are developed. Various model types are investigated and validity of proposed models are analysed based on experimental data obtained using hollowfiber membranes. The proposed separation models show quick convergence and exhibit good tracking performance.

  1. 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.

  2. Modeling of a membrane bioreactor for production of biodiesel

    International Nuclear Information System (INIS)

    Solano, Paola Andrea; Moncada, Jorge Andres; Cardona, Carlos Ariel; Ruiz, Orlando Simon

    2008-01-01

    Through the use of an enzymatic catalyst lipase, produced by Candida Antarctica a membrane bioreactor was modeled and simulated to obtain biodiesel from palm oil and ethanol. A conversion of 0.97 was reached for a residence time of 10.64 min. The membrane bioreactor was compared to a CSTR reactor, where a conversion of 0.76 was obtained. It was concluded that the membrane bioreactor is a better way of producing biodiesel than the CSTR

  3. 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.

  4. Development of a Cloud Resolving Model for Heterogeneous Supercomputers

    Science.gov (United States)

    Sreepathi, S.; Norman, M. R.; Pal, A.; Hannah, W.; Ponder, C.

    2017-12-01

    A cloud resolving climate model is needed to reduce major systematic errors in climate simulations due to structural uncertainty in numerical treatments of convection - such as convective storm systems. This research describes the porting effort to enable SAM (System for Atmosphere Modeling) cloud resolving model on heterogeneous supercomputers using GPUs (Graphical Processing Units). We have isolated a standalone configuration of SAM that is targeted to be integrated into the DOE ACME (Accelerated Climate Modeling for Energy) Earth System model. We have identified key computational kernels from the model and offloaded them to a GPU using the OpenACC programming model. Furthermore, we are investigating various optimization strategies intended to enhance GPU utilization including loop fusion/fission, coalesced data access and loop refactoring to a higher abstraction level. We will present early performance results, lessons learned as well as optimization strategies. The computational platform used in this study is the Summitdev system, an early testbed that is one generation removed from Summit, the next leadership class supercomputer at Oak Ridge National Laboratory. The system contains 54 nodes wherein each node has 2 IBM POWER8 CPUs and 4 NVIDIA Tesla P100 GPUs. This work is part of a larger project, ACME-MMF component of the U.S. Department of Energy(DOE) Exascale Computing Project. The ACME-MMF approach addresses structural uncertainty in cloud processes by replacing traditional parameterizations with cloud resolving "superparameterization" within each grid cell of global climate model. Super-parameterization dramatically increases arithmetic intensity, making the MMF approach an ideal strategy to achieve good performance on emerging exascale computing architectures. The goal of the project is to integrate superparameterization into ACME, and explore its full potential to scientifically and computationally advance climate simulation and prediction.

  5. A two-phase model of aquifer heterogeneity

    International Nuclear Information System (INIS)

    Moltyaner, G.L.

    1994-11-01

    A two-phase model of a fluid-saturated geologic medium is developed with groundwater velocity (rather than the hydraulic conductivity) as the primary model parameter. The model describes the groundwater flow, contaminant transport processes, and geologic medium structure at the local-scale of a continuum representation and relates structure to processes quantitatively. In this model, the heterogeneity of a geologic medium is characterized either in terms of the spatial variability in the bulk (local-scale) fluid density and sediment density, or in terms of variability in the local-scale porosity and effective grain diameter. The local-scale continuity equations resulting from these properties are derived for both phases. The effective grain diameter is employed to quantify the geologic structure. Velocity is employed to quantify the transport process. Since structure controls process, a high correlation is observed between the effective grain diameter and velocity. The observed correlation leads to a new formulation of Darcy's law without invoking the concept of a fictitious (Darcy's) velocity. The local-scale groundwater flow equation is developed on the basis of the new formulation. (author). 16 refs., 4 figs

  6. How to handle spatial heterogeneity in hydrological models.

    Science.gov (United States)

    Loritz, Ralf; Neuper, Malte; Gupta, Hoshin; Zehe, Erwin

    2017-04-01

    The amount of data we observe in our environmental systems is larger than ever. This leads to a new kind of problem where hydrological modelers can have access to large datasets with various quantitative and qualitative observations but are uncertain about the information content with respect to the hydrological functioning of a landscape. For example digital elevation models obviously contain plenty of information about the topography of a landscape; however the question of relevance for Hydrology is how much of this information is important for the hydrological functioning of a landscape. This kind of question is not limited to topography and we can ask similar questions when handling distributed rainfall data or geophysical images. In this study we would like to show how one can separate dominant patterns in the landscape from idiosyncratic system details. We use a 2D numerical hillslope model in combination with an extensive research data set to test a variety of different model setups that are built upon different landscape characteristics and run by different rainfalls measurements. With the help of information theory based measures we can identify and learn how much heterogeneity is really necessary for successful hydrological simulations and how much of it we can neglect.

  7. A radiosity model for heterogeneous canopies in remote sensing

    Science.gov (United States)

    GarcíA-Haro, F. J.; Gilabert, M. A.; Meliá, J.

    1999-05-01

    A radiosity model has been developed to compute bidirectional reflectance from a heterogeneous canopy approximated by an arbitrary configuration of plants or clumps of vegetation, placed on the ground surface in a prescribed manner. Plants are treated as porous cylinders formed by aggregations of layers of leaves. This model explicitly computes solar radiation leaving each individual surface, taking into account multiple scattering processes between leaves and soil, and occlusion of neighboring plants. Canopy structural parameters adopted in this study have served to simplify the computation of the geometric factors of the radiosity equation, and thus this model has enabled us to simulate multispectral images of vegetation scenes. Simulated images have shown to be valuable approximations of satellite data, and then a sensitivity analysis to the dominant parameters of discontinuous canopies (plant density, leaf area index (LAI), leaf angle distribution (LAD), plant dimensions, soil optical properties, etc.) and scene (sun/ view angles and atmospheric conditions) has been undertaken. The radiosity model has let us gain a deep insight into the radiative regime inside the canopy, showing it to be governed by occlusion of incoming irradiance, multiple scattering of radiation between canopy elements and interception of upward radiance by leaves. Results have indicated that unlike leaf distribution, other structural parameters such as LAI, LAD, and plant dimensions have a strong influence on canopy reflectance. In addition, concepts have been developed that are useful to understand the reflectance behavior of the canopy, such as an effective LAI related to leaf inclination.

  8. 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.

  9. Heterogeneous Epidemic Model for Assessing Data Dissemination in Opportunistic Networks

    DEFF Research Database (Denmark)

    Rozanova, Liudmila; Alekseev, Vadim; Temerev, Alexander

    2014-01-01

    that amount of data transferred between network nodes possesses a Pareto distribution, implying scale-free properties. In this context, more heterogeneity in susceptibility means the less severe epidemic progression, and, on the contrary, more heterogeneity in infectivity leads to more severe epidemics...... — assuming that the other parameter (either heterogeneity or susceptibility) stays fixed. The results are general enough to be useful for estimating the epidemic progression with no significant acquired immunity — in the cases where Pareto distribution holds....

  10. A model of non-Gaussian diffusion in heterogeneous media

    Science.gov (United States)

    Lanoiselée, Yann; Grebenkov, Denis S.

    2018-04-01

    Recent progress in single-particle tracking has shown evidence of the non-Gaussian distribution of displacements in living cells, both near the cellular membrane and inside the cytoskeleton. Similar behavior has also been observed in granular materials, turbulent flows, gels and colloidal suspensions, suggesting that this is a general feature of diffusion in complex media. A possible interpretation of this phenomenon is that a tracer explores a medium with spatio-temporal fluctuations which result in local changes of diffusivity. We propose and investigate an ergodic, easily interpretable model, which implements the concept of diffusing diffusivity. Depending on the parameters, the distribution of displacements can be either flat or peaked at small displacements with an exponential tail at large displacements. We show that the distribution converges slowly to a Gaussian one. We calculate statistical properties, derive the asymptotic behavior and discuss some implications and extensions.

  11. Heterogeneous Deformable Modeling of Bio-Tissues and Haptic Force Rendering for Bio-Object Modeling

    Science.gov (United States)

    Lin, Shiyong; Lee, Yuan-Shin; Narayan, Roger J.

    This paper presents a novel technique for modeling soft biological tissues as well as the development of an innovative interface for bio-manufacturing and medical applications. Heterogeneous deformable models may be used to represent the actual internal structures of deformable biological objects, which possess multiple components and nonuniform material properties. Both heterogeneous deformable object modeling and accurate haptic rendering can greatly enhance the realism and fidelity of virtual reality environments. In this paper, a tri-ray node snapping algorithm is proposed to generate a volumetric heterogeneous deformable model from a set of object interface surfaces between different materials. A constrained local static integration method is presented for simulating deformation and accurate force feedback based on the material properties of a heterogeneous structure. Biological soft tissue modeling is used as an example to demonstrate the proposed techniques. By integrating the heterogeneous deformable model into a virtual environment, users can both observe different materials inside a deformable object as well as interact with it by touching the deformable object using a haptic device. The presented techniques can be used for surgical simulation, bio-product design, bio-manufacturing, and medical applications.

  12. Two-dimensional stochastic modeling of membrane fouling

    NARCIS (Netherlands)

    Wessling, Matthias

    2001-01-01

    The phenomenon of fouling of microfiltration membranes by much smaller particles such as proteins is described by a new developed simulation algorithm based on diffusion limited aggregation simulation techniques. The model specifies the membrane morphology explicitly and allows to (a) characterize

  13. Heterogeneity in preferences and behavior in threshold models

    Directory of Open Access Journals (Sweden)

    Philip R Neary

    2017-12-01

    Full Text Available A coordination game is repeatedly played on a graph by players (vertices who have heterogeneous cardinal preferences and whose strategy choice is governed by the individualistic asynchronous logit dynamic. The idea of potential driven autonomy of sets of players is used to derive results on the possibility of heterogeneous preferences leading to heterogeneous behavior. In particular, a class of graphs is identified such that for large enough graphs in this class, diversity in ordinal preferences will nearly always lead to heterogeneity in behavior, regardless of the cardinal strength of the preferences. These results have implications for network design problems, such as when a social planner wishes to induce homogeneous/heterogeneous behavior in a population.

  14. A pragmatic decision model for inventory management with heterogeneous suppliers

    Science.gov (United States)

    Nakandala, Dilupa; Lau, Henry; Zhang, Jingjing; Gunasekaran, Angappa

    2018-05-01

    For enterprises, it is imperative that the trade-off between the cost of inventory and risk implications is managed in the most efficient manner. To explore this, we use the common example of a wholesaler operating in an environment where suppliers demonstrate heterogeneous reliability. The wholesaler has partial orders with dual suppliers and uses lateral transshipments. While supplier reliability is a key concern in inventory management, reliable suppliers are more expensive and investment in strategic approaches that improve supplier performance carries a high cost. Here we consider the operational strategy of dual sourcing with reliable and unreliable suppliers and model the total inventory cost where the likely scenario lead-time of the unreliable suppliers extends beyond the scheduling period. We then develop a Customized Integer Programming Optimization Model to determine the optimum size of partial orders with multiple suppliers. In addition to the objective of total cost optimization, this study takes into account the volatility of the cost associated with the uncertainty of an inventory system.

  15. Thin inclusion approach for modelling of heterogeneous conducting materials

    Science.gov (United States)

    Lavrov, Nikolay; Smirnova, Alevtina; Gorgun, Haluk; Sammes, Nigel

    Experimental data show that heterogeneous nanostructure of solid oxide and polymer electrolyte fuel cells could be approximated as an infinite set of fiber-like or penny-shaped inclusions in a continuous medium. Inclusions can be arranged in a cluster mode and regular or random order. In the newly proposed theoretical model of nanostructured material, the most attention is paid to the small aspect ratio of structural elements as well as to some model problems of electrostatics. The proposed integral equation for electric potential caused by the charge distributed over the single circular or elliptic cylindrical conductor of finite length, as a single unit of a nanostructured material, has been asymptotically simplified for the small aspect ratio and solved numerically. The result demonstrates that surface density changes slightly in the middle part of the thin domain and has boundary layers localized near the edges. It is anticipated, that contribution of boundary layer solution to the surface density is significant and cannot be governed by classic equation for smooth linear charge. The role of the cross-section shape is also investigated. Proposed approach is sufficiently simple, robust and allows extension to either regular or irregular system of various inclusions. This approach can be used for the development of the system of conducting inclusions, which are commonly present in nanostructured materials used for solid oxide and polymer electrolyte fuel cell (PEMFC) materials.

  16. Oxide-supported metal clusters: models for heterogeneous catalysts

    International Nuclear Information System (INIS)

    Santra, A K; Goodman, D W

    2003-01-01

    Understanding the size-dependent electronic, structural and chemical properties of metal clusters on oxide supports is an important aspect of heterogeneous catalysis. Recently model oxide-supported metal catalysts have been prepared by vapour deposition of catalytically relevant metals onto ultra-thin oxide films grown on a refractory metal substrate. Reactivity and spectroscopic/microscopic studies have shown that these ultra-thin oxide films are excellent models for the corresponding bulk oxides, yet are sufficiently electrically conductive for use with various modern surface probes including scanning tunnelling microscopy (STM). Measurements on metal clusters have revealed a metal to nonmetal transition as well as changes in the crystal and electronic structures (including lattice parameters, band width, band splitting and core-level binding energy shifts) as a function of cluster size. Size-dependent catalytic reactivity studies have been carried out for several important reactions, and time-dependent catalytic deactivation has been shown to arise from sintering of metal particles under elevated gas pressures and/or reactor temperatures. In situ STM methodologies have been developed to follow the growth and sintering kinetics on a cluster-by-cluster basis. Although several critical issues have been addressed by several groups worldwide, much more remains to be done. This article highlights some of these accomplishments and summarizes the challenges that lie ahead. (topical review)

  17. RESPONSIVE URBAN MODELS BY PROCESSING SETS OF HETEROGENEOUS DATA

    Directory of Open Access Journals (Sweden)

    M. Calvano

    2018-05-01

    Full Text Available This paper presents some steps in experimentation aimed at describing urban spaces made following the series of earthquakes that affected a vast area of central Italy starting on 24 August 2016. More specifically, these spaces pertain to historical centres of limited size and case studies that can be called “problematic” (due to complex morphological and settlement conditions, because they are difficult to access, or because they have been affected by calamitous events, etc.. The main objectives were to verify the use of sets of heterogeneous data that are already largely available to define a workflow and develop procedures that would allow some of the steps to be automated as much as possible. The most general goal was to use the experimentation to define a methodology to approach the problem aimed at developing descriptive responsive models of the urban space, that is, morphological and computer-based models capable of being modified in relation to the constantly updated flow of input data.

  18. Heterogeneous Breast Phantom Development for Microwave Imaging Using Regression Models

    Directory of Open Access Journals (Sweden)

    Camerin Hahn

    2012-01-01

    Full Text Available As new algorithms for microwave imaging emerge, it is important to have standard accurate benchmarking tests. Currently, most researchers use homogeneous phantoms for testing new algorithms. These simple structures lack the heterogeneity of the dielectric properties of human tissue and are inadequate for testing these algorithms for medical imaging. To adequately test breast microwave imaging algorithms, the phantom has to resemble different breast tissues physically and in terms of dielectric properties. We propose a systematic approach in designing phantoms that not only have dielectric properties close to breast tissues but also can be easily shaped to realistic physical models. The approach is based on regression model to match phantom's dielectric properties with the breast tissue dielectric properties found in Lazebnik et al. (2007. However, the methodology proposed here can be used to create phantoms for any tissue type as long as ex vivo, in vitro, or in vivo tissue dielectric properties are measured and available. Therefore, using this method, accurate benchmarking phantoms for testing emerging microwave imaging algorithms can be developed.

  19. Modelling solute dispersion in periodic heterogeneous porous media: Model benchmarking against intermediate scale experiments

    Science.gov (United States)

    Majdalani, Samer; Guinot, Vincent; Delenne, Carole; Gebran, Hicham

    2018-06-01

    This paper is devoted to theoretical and experimental investigations of solute dispersion in heterogeneous porous media. Dispersion in heterogenous porous media has been reported to be scale-dependent, a likely indication that the proposed dispersion models are incompletely formulated. A high quality experimental data set of breakthrough curves in periodic model heterogeneous porous media is presented. In contrast with most previously published experiments, the present experiments involve numerous replicates. This allows the statistical variability of experimental data to be accounted for. Several models are benchmarked against the data set: the Fickian-based advection-dispersion, mobile-immobile, multirate, multiple region advection dispersion models, and a newly proposed transport model based on pure advection. A salient property of the latter model is that its solutions exhibit a ballistic behaviour for small times, while tending to the Fickian behaviour for large time scales. Model performance is assessed using a novel objective function accounting for the statistical variability of the experimental data set, while putting equal emphasis on both small and large time scale behaviours. Besides being as accurate as the other models, the new purely advective model has the advantages that (i) it does not exhibit the undesirable effects associated with the usual Fickian operator (namely the infinite solute front propagation speed), and (ii) it allows dispersive transport to be simulated on every heterogeneity scale using scale-independent parameters.

  20. Modeling energy fluxes in heterogeneous landscapes employing a mosaic approach

    Science.gov (United States)

    Klein, Christian; Thieme, Christoph; Priesack, Eckart

    2015-04-01

    Recent studies show that uncertainties in regional and global climate and weather simulations are partly due to inadequate descriptions of the energy flux exchanges between the land surface and the atmosphere. One major shortcoming is the limitation of the grid-cell resolution, which is recommended to be about at least 3x3 km² in most models due to limitations in the model physics. To represent each individual grid cell most models select one dominant soil type and one dominant land use type. This resolution, however, is often too coarse in regions where the spatial diversity of soil and land use types are high, e.g. in Central Europe. An elegant method to avoid the shortcoming of grid cell resolution is the so called mosaic approach. This approach is part of the recently developed ecosystem model framework Expert-N 5.0. The aim of this study was to analyze the impact of the characteristics of two managed fields, planted with winter wheat and potato, on the near surface soil moistures and on the near surface energy flux exchanges of the soil-plant-atmosphere interface. The simulated energy fluxes were compared with eddy flux tower measurements between the respective fields at the research farm Scheyern, North-West of Munich, Germany. To perform these simulations, we coupled the ecosystem model Expert-N 5.0 to an analytical footprint model. The coupled model system has the ability to calculate the mixing ratio of the surface energy fluxes at a given point within one grid cell (in this case at the flux tower between the two fields). This approach accounts for the differences of the two soil types, of land use managements, and of canopy properties due to footprint size dynamics. Our preliminary simulation results show that a mosaic approach can improve modeling and analyzing energy fluxes when the land surface is heterogeneous. In this case our applied method is a promising approach to extend weather and climate models on the regional and on the global scale.

  1. 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)

  2. Transferable coarse-grained model for perfluorosulfonic acid polymer membranes

    Science.gov (United States)

    Kuo, An-Tsung; Okazaki, Susumu; Shinoda, Wataru

    2017-09-01

    Perfluorosulfonic acid (PFSA) polymer membranes are widely used as proton exchange membranes. Because the structure of the aqueous domain within the PFSA membrane is expected to directly influence proton conductance, many coarse-grained (CG) simulation studies have been performed to investigate the membrane morphology; these studies mostly used phenomenological models, such as dissipative particle dynamics. However, a chemically accurate CG model is required to investigate the morphology in realistic membranes and to provide a concrete molecular design. Here, we attempt to construct a predictive CG model for the structure and morphology of PFSA membranes that is compatible with the Sinoda-DeVane-Klein (SDK) CG water model [Shinoda et al., Mol. Simul. 33, 27 (2007)]. First, we extended the parameter set for the SDK CG force field to examine a hydrated PFSA membrane based on thermodynamic and structural data from experiments and all-atom (AA) molecular dynamics (MD) simulations. However, a noticeable degradation of the morphology motivated us to improve the structural properties by using the iterative Boltzmann inversion (IBI) approach. Thus, we explored a possible combination of the SDK and IBI approaches to describe the nonbonded interaction. The hybrid SDK/IBI model improved the structural issues of SDK, showing a better agreement with AA-MD in the radial distribution functions. The hybrid SDK/IBI model was determined to reasonably reproduce both the thermodynamic and structural properties of the PFSA membrane for all examined water contents. In addition, the model demonstrated good transferability and has considerable potential for application to realistic long-chained PFSA membranes.

  3. N-3 fatty acids and membrane microdomains: from model membranes to lymphocyte function.

    Science.gov (United States)

    Shaikh, Saame Raza; Teague, Heather

    2012-12-01

    This article summarizes the author's research on fish oil derived n-3 fatty acids, plasma membrane organization and B cell function. We first cover basic model membrane studies that investigated how docosahexaenoic acid (DHA) targeted the organization of sphingolipid-cholesterol enriched lipid microdomains. A key finding here was that DHA had a relatively poor affinity for cholesterol. This work led to a model that predicted DHA acyl chains in cells would manipulate lipid-protein microdomain organization and thereby function. We then review how the predictions of the model were tested with B cells in vitro followed by experiments using mice fed fish oil. These studies reveal a highly complex picture on how n-3 fatty acids target lipid-protein organization and B cell function. Key findings are as follows: (1) n-3 fatty acids target not just the plasma membrane but also endomembrane organization; (2) DHA, but not eicosapentaenoic acid (EPA), disrupts microdomain spatial distribution (i.e. clustering), (3) DHA alters protein lateral organization and (4) changes in membrane organization are accompanied by functional effects on both innate and adaptive B cell function. Altogether, the research over the past 10 years has led to an evolution of the original model on how DHA reorganizes membrane microdomains. The work raises the intriguing possibility of testing the model at the human level to target health and disease. Copyright © 2012 Elsevier Ltd. All rights reserved.

  4. 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

  5. Dynamic modeling of ultrafiltration membranes for whey separation processes

    NARCIS (Netherlands)

    Saltik, M.B.; Ozkan, L.; Jacobs, M.; van der Padt, A.

    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

  6. 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.

  7. Molecular Origin of Model Membrane Bending Rigidity

    International Nuclear Information System (INIS)

    Kurtisovski, Erol; Taulier, Nicolas; Waks, Marcel; Ober, Raymond; Urbach, Wladimir

    2007-01-01

    The behavior of the bending modulus κ of bilayers in lamellar phases was studied by Small Angle X-ray Scattering technique for various nonionic C i E j surfactants. The bilayers are either unswollen and dispersed in water or swollen by water and dispersed in dodecane. For unswollen bilayers, the values of κ decrease with both an increase in the area per surfactant molecule and in the polar head length. They increase when the aliphatic chain length increases at constant area per surfactant molecule. Whereas for water-swollen membranes, the values of κ decrease as the content of water increases converging to the value of the single monolayer bending modulus. Such a behavior results from the decoupling of the fluctuations of the two surfactant membrane monolayers. Our results emphasize the determinant contribution of the surfactant conformation to κ

  8. A REMARK ON FORMAL MODELS FOR NONLINEARLY ELASTIC MEMBRANE SHELLS

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    This paper gives all the two-dimensional membrane models obtained from formal asymptotic analysis of the three-dimensional geometrically exact nonlinear model of a thin elastic shell made with a Saint Venant-Kirchhoff material. Therefore, the other models can be quoted as flexural nonlinear ones. The author also gives the formal equations solved by the associated stress tensor and points out that only one of those models leads, by linearization, to the “classical” linear limiting membrane model, whose juetification has already been established by a convergence theorem.

  9. Business models for open innovation: Matching heterogeneous open innovation strategies with business model dimensions

    OpenAIRE

    Saebi, Tina; Foss, Nicolai Juul

    2015-01-01

    -This is the author's version of the article:"Business models for open innovation: Matching heterogeneous open innovation strategies with business model dimensions", European Management Journal, Volume 33, Issue 3, June 2015, Pages 201–213 Research on open innovation suggests that companies benefit differentially from adopting open innovation strategies; however, it is unclear why this is so. One possible explanation is that companies' business models are not attuned to open strategies. Ac...

  10. On the Modeling and Analysis of Heterogeneous Radio Access Networks using a Poisson Cluster Process

    DEFF Research Database (Denmark)

    Suryaprakash, Vinay; Møller, Jesper; Fettweis, Gerhard P.

    processes, some of which are alluded to (later) in this paper. We model a heterogeneous network consisting of two types of base stations by using a particular Poisson cluster process model. The main contributions are two-fold. First, a complete description of the interference in heterogeneous networks...

  11. A LATENT CLASS POISSON REGRESSION-MODEL FOR HETEROGENEOUS COUNT DATA

    NARCIS (Netherlands)

    WEDEL, M; DESARBO, WS; BULT, [No Value; RAMASWAMY, [No Value

    1993-01-01

    In this paper an approach is developed that accommodates heterogeneity in Poisson regression models for count data. The model developed assumes that heterogeneity arises from a distribution of both the intercept and the coefficients of the explanatory variables. We assume that the mixing

  12. Pore surface fractal analysis of palladium-alumina ceramic membrane using Frenkel-Halsey-Hill (FHH) model.

    Science.gov (United States)

    Ahmad, A L; Mustafa, N N N

    2006-09-15

    The alumina ceramic membrane has been modified by the addition of palladium in order to improve the H(2) permeability and selectivity. Palladium-alumina ceramic membrane was prepared via a sol-gel method and subjected to thermal treatment in the temperature range 500-1100 degrees C. Fractal analysis from nitrogen adsorption isotherm is used to study the pore surface roughness of palladium-alumina ceramic membrane with different chemical composition (nitric acid, PVA and palladium) and calcinations process in terms of surface fractal dimension, D. Frenkel-Halsey-Hill (FHH) model was used to determine the D value of palladium-alumina membrane. Following FHH model, the D value of palladium-alumina membrane increased as the calcinations temperature increased from 500 to 700 degrees C but decreased after calcined at 900 and 1100 degrees C. With increasing palladium concentration from 0.5 g Pd/100 ml H(2)O to 2 g Pd/100 ml H(2)O, D value of membrane decreased, indicating to the smoother surface. Addition of higher amount of PVA and palladium reduced the surface fractal of the membrane due to the heterogeneous distribution of pores. However, the D value increased when nitric acid concentration was increased from 1 to 15 M. The effect of calcinations temperature, PVA ratio, palladium and acid concentration on membrane surface area, pore size and pore distribution also studied.

  13. Heterogeneous kinetic modeling of the catalytic conversion of cycloparaffins

    Science.gov (United States)

    Al-Sabawi, Mustafa N.

    catalytic conversions respectively, are reported. Using these data, heterogeneous kinetic models accounting for intracrystallite molecular transport, adsorption and thermal and catalytic cracking of both cycloparaffin reactants are established. Results show that undesirable hydrogen transfer reactions are more pronounced and selectively favoured against other reactions at lower reaction temperatures, while the desirable ring-opening and cracking reactions predominate at the higher reaction temperatures. Moreover, results of the present work show that while crystallite size may have an effect on the overall conversion in some situations, there is a definite effect on the selectivity of products obtained during the cracking of MCH and decalin and the cracking of MCH in a mixture with co-reactants such as 1,3,5-triisopropylbenzene. Keywords. cycloparaffins, naphthenes, fluid catalytic cracking, kinetic modeling, Y-zeolites, diffusion, adsorption, ring-opening, hydrogen transfer, catalyst selectivity.

  14. Two-Phase Contiguous Supported Lipid Bilayer Model for Membrane Rafts via Polymer Blotting and Stenciling.

    Science.gov (United States)

    Richards, Mark J; Daniel, Susan

    2017-02-07

    The supported lipid bilayer has been portrayed as a useful model of the cell membrane compatible with many biophysical tools and techniques that demonstrate its appeal in learning about the basic features of the plasma membrane. However, some of its potential has yet to be realized, particularly in the area of bilayer patterning and phase/composition heterogeneity. In this work, we generate contiguous bilayer patterns as a model system that captures the general features of membrane domains and lipid rafts. Micropatterned polymer templates of two types are investigated for generating patterned bilayer formation: polymer blotting and polymer lift-off stenciling. While these approaches have been used previously to create bilayer arrays by corralling bilayers patches with various types of boundaries impenetrable to bilayer diffusion, unique to the methods presented here, there are no physical barriers to diffusion. In this work, interfaces between contiguous lipid phases define the pattern shapes, with continuity between them allowing transfer of membrane-bound biomolecules between the phases. We examine effectors of membrane domain stability including temperature and cholesterol content to investigate domain dynamics. Contiguous patterning of supported bilayers as a model of lipid rafts expands the application of the SLB to an area with current appeal and brings with it a useful toolset for characterization and analysis. These combined tools should be helpful to researchers investigating lipid raft dynamics and function and biomolecule partitioning studies. Additionally, this patterning technique may be useful for applications such as bioseparations that exploit differences in lipid phase partitioning or creation of membranes that bind species like viruses preferentially at lipid phase boundaries, to name a few.

  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. Membrane models and generalized Z2 gauge theories

    International Nuclear Information System (INIS)

    Lowe, M.J.; Wallace, D.J.

    1980-01-01

    We consider models of (d-n)-dimensional membranes fluctuating in a d-dimensional space under the action of surface tension. We investigate the renormalization properties of these models perturbatively and in 1/n expansion. The potential relationships of these models to generalized Z 2 gauge theories are indicated. (orig.)

  17. 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 the h...

  18. Heterogeneous neutron-leakage model for PWR pin-by-pin calculation

    International Nuclear Information System (INIS)

    Li, Yunzhao; Zhang, Bin; Wu, Hongchun; Shen, Wei

    2017-01-01

    Highlights: •The derivation of the formula of the leakage model is introduced. This paper evaluates homogeneous and heterogeneous leakage models used in PWR pin-by-pin calculation. •The implements of homogeneous and heterogeneous leakage models used in pin-cell homogenization of the lattice calculation are studied. A consistent method of cooperation between the heterogeneous leakage model and the pin-cell homogenization theory is proposed. •Considering the computational cost, a new buckling search scheme is proposed to reach the convergence faster. The computational cost of the newly proposed neutron balance scheme is much less than the power-method scheme and the linear-interpolation scheme. -- Abstract: When assembly calculation is performed with the reflective boundary condition, a leakage model is usually required in the lattice code. The previous studies show that the homogeneous leakage model works effectively for the assembly homogenization. However, it becomes different and unsettled for the pin-cell homogenization. Thus, this paper evaluates homogeneous and heterogeneous leakage models used in pin-by-pin calculation. The implements of homogeneous and heterogeneous leakage models used in pin-cell homogenization of the lattice calculation are studied. A consistent method of cooperation between the heterogeneous leakage model and the pin-cell homogenization theory is proposed. Considering the computational cost, a new buckling search scheme is proposed to reach the convergence faster. For practical reactor-core applications, the diffusion coefficients determined by the transport cross-section or by the leakage model are compared with each other to determine which one is more accurate for the Pressurized Water Reactor pin-by-pin calculation. Numerical results have demonstrated that the heterogeneous leakage model together with the diffusion coefficient determined by the heterogeneous leakage model would have the higher accuracy. The new buckling search

  19. Accounting for heterogeneity of public lands in hedonic property models

    Science.gov (United States)

    Charlotte Ham; Patricia A. Champ; John B. Loomis; Robin M. Reich

    2012-01-01

    Open space lands, national forests in particular, are usually treated as homogeneous entities in hedonic price studies. Failure to account for the heterogeneous nature of public open spaces may result in inappropriate inferences about the benefits of proximate location to such lands. In this study the hedonic price method is used to estimate the marginal values for...

  20. Post-seismic relaxation theory on laterally heterogeneous viscoelastic model

    Science.gov (United States)

    Pollitz, F.F.

    2003-01-01

    Investigation was carried out into the problem of relaxation of a laterally heterogeneous viscoelastic Earth following an impulsive moment release event. The formal solution utilizes a semi-analytic solution for post-seismic deformation on a laterally homogeneous Earth constructed from viscoelastic normal modes, followed by application of mode coupling theory to derive the response on the aspherical Earth. The solution is constructed in the Laplace transform domain using the correspondence principle and is valid for any linear constitutive relationship between stress and strain. The specific implementation described in this paper is a semi-analytic discretization method which assumes isotropic elastic structure and a Maxwell constitutive relation. It accounts for viscoelastic-gravitational coupling under lateral variations in elastic parameters and viscosity. For a given viscoelastic structure and minimum wavelength scale, the computational effort involved with the numerical algorithm is proportional to the volume of the laterally heterogeneous region. Examples are presented of the calculation of post-seismic relaxation with a shallow, laterally heterogeneous volume following synthetic impulsive seismic events, and they illustrate the potentially large effect of regional 3-D heterogeneities on regional deformation patterns.

  1. Observed and unobserved heterogeneity in stochastic frontier models: An application to the electricity distribution industry

    International Nuclear Information System (INIS)

    Kopsakangas-Savolainen, Maria; Svento, Rauli

    2011-01-01

    In this study we combine different possibilities to model firm level heterogeneity in stochastic frontier analysis. We show that both observed and unobserved heterogeneities cause serious biases in inefficiency results. Modelling observed and unobserved heterogeneities treat individual firms in different ways and even though the expected mean inefficiency scores in both cases diminish the firm level efficiency rank orders turn out to be very different. The best fit with the data is obtained by modelling unobserved heterogeneity through randomizing frontier parameters and at the same time explicitly modelling the observed heterogeneity into the inefficiency distribution. These results are obtained by using data from Finnish electricity distribution utilities and the results are relevant in relation to electricity distribution pricing and regulation. -- Research Highlights: → We show that both observed and unobserved heterogeneities of firms cause biases in inefficiency results. → Different ways of accounting firm level heterogeneity end up with very different rank orders of firms. → The model which combines the characteristics of unobserved and observed heterogeneity fits the data best.

  2. Carbon dioxide (hydrogen sulfide) membrane separations and WGS membrane reactor modeling for fuel cells

    Science.gov (United States)

    Huang, Jin

    Acid-gas removal is of great importance in many environmental or energy-related processes. Compared to current commercial technologies, membrane-based CO2 and H2S capture has the advantages of low energy consumption, low weight and space requirement, simplicity of installation/operation, and high process flexibility. However, the large-scale application of the membrane separation technology is limited by the relatively low transport properties. In this study, CO2 (H2S)-selective polymeric membranes with high permeability and high selectivity have been studied based on the facilitated transport mechanism. The membrane showed facilitated effect for both CO2 and H2S. A CO2 permeability of above 2000 Barrers, a CO2/H2 selectivity of greater than 40, and a CO2/N2 selectivity of greater than 200 at 100--150°C were observed. As a result of higher reaction rate and smaller diffusing compound, the H2S permeability and H2S/H2 selectivity were about three times higher than those properties for CO2. The novel CO2-selective membrane has been applied to capture CO 2 from flue gas and natural gas. In the CO2 capture experiments from a gas mixture with N2 and H2, a permeate CO 2 dry concentration of greater than 98% was obtained by using steam as the sweep gas. In CO2/CH4 separation, decent CO 2 transport properties were obtained with a feed pressure up to 500 psia. With the thin-film composite membrane structure, significant increase on the CO2 flux was achieved with the decrease of the selective layer thickness. With the continuous removal of CO2, CO2-selective water-gas-shift (WGS) membrane reactor is a promising approach to enhance CO conversion and increase the purity of H2 at process pressure under relatively low temperature. The simultaneous reaction and transport process in the countercurrent WGS membrane reactor was simulated by using a one-dimensional non-isothermal model. The modeling results show that a CO concentration of less than 10 ppm and a H2 recovery of greater

  3. Multilayer models of photosynthetic membranes. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Brocklehurst, J R; Flanagan, M T

    1982-01-01

    The primary aim of this project has been to build an artificial membrane in which is incorporated, in a functional state, the protein bacteriorhodopsin responsible for generating an electrical potential difference across the membrane of the photosynthetic bacterium, halobacterium halobium, and to investigate the use of this artificial system as the basis of a solar cell. the bacteriorhodopsin has been incorporated into Langmuir-Blodgett multilayers. If ths supporting filter is then illuminated, a potential difference is generated between the two compartments. The lipid in the filter appears to act as a charge carrier for protons, the charge species that forms the electrochemical gradient generated by the bacteriorhodopsin when this molecule absorbs light. The internal resistances of such solar cells were determined and found to be so high that the cells could not be seriously considered as competitors with classical semiconductor cells. Multilayerswere deposited onto filters in which ion carriers that make the filters permeable to sodium ions had been dissolved in the paraffin. The photovoltage obtained indicated that protons transferred from one side of the filter to the other by the action of the bacteriorhodopsin were bing exchanged for sodium ions. A secondary aim of the project has been to examine the possibility of depositing mixed multilayers of a dye and a long chain quinone onto a semiconductor surface. A sensitizing multilayer has been prepared and the mobility of long chain quinones within the layers is high enough to warrant further research. However, it was found that, with the dyes and quinones used, quenched complexes were formed which would not act as sensitizers.

  4. Comment on Hoffman and Rovine (2007): SPSS MIXED can estimate models with heterogeneous variances.

    Science.gov (United States)

    Weaver, Bruce; Black, Ryan A

    2015-06-01

    Hoffman and Rovine (Behavior Research Methods, 39:101-117, 2007) have provided a very nice overview of how multilevel models can be useful to experimental psychologists. They included two illustrative examples and provided both SAS and SPSS commands for estimating the models they reported. However, upon examining the SPSS syntax for the models reported in their Table 3, we found no syntax for models 2B and 3B, both of which have heterogeneous error variances. Instead, there is syntax that estimates similar models with homogeneous error variances and a comment stating that SPSS does not allow heterogeneous errors. But that is not correct. We provide SPSS MIXED commands to estimate models 2B and 3B with heterogeneous error variances and obtain results nearly identical to those reported by Hoffman and Rovine in their Table 3. Therefore, contrary to the comment in Hoffman and Rovine's syntax file, SPSS MIXED can estimate models with heterogeneous error variances.

  5. Modelling of heterogenous neutron leakages in a nuclear reactor; Modelisation des fuites heterogenes de neutrons dans un reacteur nucleaire

    Energy Technology Data Exchange (ETDEWEB)

    Wohleber, X

    1997-11-17

    The TIBERE Model is a neutron leakage method based on B{sub 1} heterogeneous transport equation resolution. In this work, we have studied the influence of the reflection mode at the boundary of the assembly. In particular the White boundary condition has been implemented in the APOLLO2 neutron transport code. We have compared the two TIBERE kinds of boundary conditions (specular and white) with the classical B{sub 1} homogeneous leakage method in the modelling of some reactors. We have remarked the better capability of the TIBERE Model to compute voided assemblies. The white boundary condition is also able to compute a completely voided assembly and, besides, wins a factor 10 in CPU time in comparison with the specular boundary condition. These two heterogenous leakage formalisms have been tested on a partially voided experiment and have shown that the TIBERE Model can compute this kind of situation with a greater precision than the classical B{sub 1} homogeneous leakage method, and with a shorter computational time. (author)

  6. Detection of Diffusion Heterogeneity in Single Particle Tracking Trajectories Using a Hidden Markov Model with Measurement Noise Propagation

    Science.gov (United States)

    Slator, Paddy J.; Cairo, Christopher W.; Burroughs, Nigel J.

    2015-01-01

    We develop a Bayesian analysis framework to detect heterogeneity in the diffusive behaviour of single particle trajectories on cells, implementing model selection to classify trajectories as either consistent with Brownian motion or with a two-state (diffusion coefficient) switching model. The incorporation of localisation accuracy is essential, as otherwise false detection of switching within a trajectory was observed and diffusion coefficient estimates were inflated. Since our analysis is on a single trajectory basis, we are able to examine heterogeneity between trajectories in a quantitative manner. Applying our method to the lymphocyte function-associated antigen 1 (LFA-1) receptor tagged with latex beads (4 s trajectories at 1000 frames s−1), both intra- and inter-trajectory heterogeneity were detected; 12–26% of trajectories display clear switching between diffusive states dependent on condition, whilst the inter-trajectory variability is highly structured with the diffusion coefficients being related by D 1 = 0.68D 0 − 1.5 × 104 nm2 s−1, suggestive that on these time scales we are detecting switching due to a single process. Further, the inter-trajectory variability of the diffusion coefficient estimates (1.6 × 102 − 2.6 × 105 nm2 s−1) is very much larger than the measurement uncertainty within trajectories, suggesting that LFA-1 aggregation and cytoskeletal interactions are significantly affecting mobility, whilst the timescales of these processes are distinctly different giving rise to inter- and intra-trajectory variability. There is also an ‘immobile’ state (defined as D models within membranes incorporating aggregation, binding to the cytoskeleton, or traversing membrane microdomains. PMID:26473352

  7. 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

  8. 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.

  9. 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

  10. [Effects of silver nitrate on the phase state of model multibilayer membranes].

    Science.gov (United States)

    Vashchenko, O V; Iermak, Yu L; Krasnikova, A O; Lisetski, L N

    2015-01-01

    In order to study the effects caused by silver nitrate (AgNO3) on model lipid membranes, we studied multibilayer membranes based on L-α-dipalmitoylphosphatidylcholine (DPPC) and AgNO3 aqueous soluitions in a wide concentration range (up to 30 wt%) by means of differential scanning calorimetry. It has been shown that the presence of AgNO3 leads both to an increase in the main phase transition temperature (T(m)) and appearance of an additional phase transition peak (T(m)), suggesting increasing of both density and heterogeneity of the lipid membrane. The effect of nitrate ions (NO ) was shown to be of the opposite nature (bilayer fluidizing), so the integral densifying effect of AgNO3 can be referred solely to the action of silver ions (Ag(+)). With increasing AgNO3 concentration, the tendency was observed to opposite changes in T(m) and T'(m) peaks intensity, thereby at about 26. wt% of AgNO3 the initial peak (T(m)) disappeared. In the range of Ag+ therapeutic concentrations (up to 2 wt%) no significant changes in the DPPC membrane were revealed. This can be one of the reasons of the absence of a damaging effect of silver drugs on a host organism with simultaneous pronounced bactericidal effect.

  11. Effect of material property heterogeneity on biomechanical modeling of prostate under deformation

    International Nuclear Information System (INIS)

    Samavati, Navid; McGrath, Deirdre M; Ménard, Cynthia; Jewett, Michael A S; Van der Kwast, Theo; Brock, Kristy K

    2015-01-01

    Biomechanical model based deformable image registration has been widely used to account for prostate deformation in various medical imaging procedures. Biomechanical material properties are important components of a biomechanical model. In this study, the effect of incorporating tumor-specific material properties in the prostate biomechanical model was investigated to provide insight into the potential impact of material heterogeneity on the prostate deformation calculations. First, a simple spherical prostate and tumor model was used to analytically describe the deformations and demonstrate the fundamental effect of changes in the tumor volume and stiffness in the modeled deformation. Next, using a clinical prostate model, a parametric approach was used to describe the variations in the heterogeneous prostate model by changing tumor volume, stiffness, and location, to show the differences in the modeled deformation between heterogeneous and homogeneous prostate models. Finally, five clinical prostatectomy examples were used in separately performed homogeneous and heterogeneous biomechanical model based registrations to describe the deformations between 3D reconstructed histopathology images and ex vivo magnetic resonance imaging, and examine the potential clinical impact of modeling biomechanical heterogeneity of the prostate. The analytical formulation showed that increasing the tumor volume and stiffness could significantly increase the impact of the heterogeneous prostate model in the calculated displacement differences compared to the homogeneous model. The parametric approach using a single prostate model indicated up to 4.8 mm of displacement difference at the tumor boundary compared to a homogeneous model. Such differences in the deformation of the prostate could be potentially clinically significant given the voxel size of the ex vivo MR images (0.3  ×  0.3  ×  0.3 mm). However, no significant changes in the registration accuracy were

  12. Model of SNARE-mediated membrane adhesion kinetics.

    Directory of Open Access Journals (Sweden)

    Jason M Warner

    Full Text Available SNARE proteins are conserved components of the core fusion machinery driving diverse membrane adhesion and fusion processes in the cell. In many cases micron-sized membranes adhere over large areas before fusion. Reconstituted in vitro assays have helped isolate SNARE mechanisms in small membrane adhesion-fusion and are emerging as powerful tools to study large membrane systems by use of giant unilamellar vesicles (GUVs. Here we model SNARE-mediated adhesion kinetics in SNARE-reconstituted GUV-GUV or GUV-supported bilayer experiments. Adhesion involves many SNAREs whose complexation pulls apposing membranes into contact. The contact region is a tightly bound rapidly expanding patch whose growth velocity v(patch increases with SNARE density Gamma(snare. We find three patch expansion regimes: slow, intermediate, fast. Typical experiments belong to the fast regime where v(patch ~ (Gamma(snare(2/3 depends on SNARE diffusivities and complexation binding constant. The model predicts growth velocities ~10 - 300 microm/s. The patch may provide a close contact region where SNAREs can trigger fusion. Extending the model to a simple description of fusion, a broad distribution of fusion times is predicted. Increasing SNARE density accelerates fusion by boosting the patch growth velocity, thereby providing more complexes to participate in fusion. This quantifies the notion of SNAREs as dual adhesion-fusion agents.

  13. 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.

  14. Fish skin as a model membrane: structure and characteristics.

    Science.gov (United States)

    Konrádsdóttir, Fífa; Loftsson, Thorsteinn; Sigfússon, Sigurdur Dadi

    2009-01-01

    Synthetic and cell-based membranes are frequently used during drug formulation development for the assessment of drug availability. However, most of the currently used membranes do not mimic mucosal membranes well, especially the aqueous mucous layer of the membranes. In this study we evaluated catfish (Anarichas lupus L) skin as a model membrane. Permeation of hydrocortisone, lidocaine hydrochloride, benzocaine, diethylstilbestrol, naproxen, picric acid and sodium nitrate through skin from a freshly caught catfish was determined in Franz diffusion cells. Both lipophilic and hydrophilic molecules permeate through catfish skin via hydrated channels or aqueous pores. No correlation was observed between the octanol/water partition coefficient of the permeating molecules and their permeability coefficient through the skin. Permeation through catfish skin was found to be diffusion controlled. The results suggest that permeation through the fish skin proceeds via a diffusion-controlled process, a process that is similar to drug permeation through the aqueous mucous layer of a mucosal membrane. In addition, the fish skin, with its collagen matrix structure, appears to possess similar properties to the eye sclera.

  15. Evaluation of neutron streaming in fast breeder reactor fuel assembly by double heterogeneous modelling

    International Nuclear Information System (INIS)

    Unesaki, Hironobu; Takeda, Toshikazu

    1988-01-01

    Neutron streaming in a fast breeder reactor fuel assembly caused by the double heterogeneity structure is estimated by double heterogeneous modelling. The conventional pin cell model, a two-region subassembly model and the exact pin cluster model are used to take into account the streaming effect caused by the pin cell structure and the surrounding wrapper tube structure. The heterogeneity of wrapper tube and its surrounding sodium is explicitly considered. The streaming effect is evaluated based on Benoist's diffusion coefficient. The total streaming effect caused by the double heterogeneity structure of a fuel subassembly is found to be -0.2 % dk/kk' for k eff , which is almost twice that obtained from the conventional pin cell model of -0.1 % dk/kk'. (author)

  16. Programming strategy for efficient modeling of dynamics in a population of heterogeneous cells.

    Science.gov (United States)

    Hald, Bjørn Olav; Garkier Hendriksen, Morten; Sørensen, Preben Graae

    2013-05-15

    Heterogeneity is a ubiquitous property of biological systems. Even in a genetically identical population of a single cell type, cell-to-cell differences are observed. Although the functional behavior of a given population is generally robust, the consequences of heterogeneity are fairly unpredictable. In heterogeneous populations, synchronization of events becomes a cardinal problem-particularly for phase coherence in oscillating systems. The present article presents a novel strategy for construction of large-scale simulation programs of heterogeneous biological entities. The strategy is designed to be tractable, to handle heterogeneity and to handle computational cost issues simultaneously, primarily by writing a generator of the 'model to be simulated'. We apply the strategy to model glycolytic oscillations among thousands of yeast cells coupled through the extracellular medium. The usefulness is illustrated through (i) benchmarking, showing an almost linear relationship between model size and run time, and (ii) analysis of the resulting simulations, showing that contrary to the experimental situation, synchronous oscillations are surprisingly hard to achieve, underpinning the need for tools to study heterogeneity. Thus, we present an efficient strategy to model the biological heterogeneity, neglected by ordinary mean-field models. This tool is well posed to facilitate the elucidation of the physiologically vital problem of synchronization. The complete python code is available as Supplementary Information. bjornhald@gmail.com or pgs@kiku.dk Supplementary data are available at Bioinformatics online.

  17. Distribution of model-based multipoint heterogeneity lod scores.

    Science.gov (United States)

    Xing, Chao; Morris, Nathan; Xing, Guan

    2010-12-01

    The distribution of two-point heterogeneity lod scores (HLOD) has been intensively investigated because the conventional χ(2) approximation to the likelihood ratio test is not directly applicable. However, there was no study investigating th e distribution of the multipoint HLOD despite its wide application. Here we want to point out that, compared with the two-point HLOD, the multipoint HLOD essentially tests for homogeneity given linkage and follows a relatively simple limiting distribution ½χ²₀+ ½χ²₁, which can be obtained by established statistical theory. We further examine the theoretical result by simulation studies. © 2010 Wiley-Liss, Inc.

  18. Polycyclic aromatic hydrocarbons in model bacterial membranes - Langmuir monolayer studies.

    Science.gov (United States)

    Broniatowski, Marcin; Binczycka, Martyna; Wójcik, Aneta; Flasiński, Michał; Wydro, Paweł

    2017-12-01

    High molecular weight polycyclic aromatic hydrocarbons (HMW-PAHs) are persistent organic pollutants which due to their limited biodegradability accumulate in soils where their increased presence can lead to the impoverishment of the decomposer organisms. As very hydrophobic PAHs easily penetrate cellular membranes of soil bacteria and can be incorporated therein, changing the membrane fluidity and other functions which in consequence can lead to the death of the organism. The structure and size of PAH molecule can be crucial for its membrane activity; however the correlation between PAH structure and its interaction with phospholipids have not been investigated so far. In our studies we applied phospholipid Langmuir monolayers as model bacterial membranes and investigated how the incorporation of six structurally different PAH molecules change the membrane texture and physical properties. In our studies we registered surface pressure and surface potential isotherms upon the monolayer compression, visualized the monolayer texture with the application of Brewster angle microscopy and searched the ordering of the film-forming molecules with molecular resolution with the application of grazing incidence X-ray diffraction (GIXD) method. It turned out that the phospholipid-PAH interactions are strictly structure dependent. Four and five-ring PAHs of the angular or cluster geometry can be incorporated into the model membranes changing profoundly their textures and fluidity; whereas linear or large cluster PAHs cannot be incorporated and separate from the lipid matrix. The observed phenomena were explained based on structural similarities of the applied PAHs with membrane steroids and hopanoids. Copyright © 2017. Published by Elsevier B.V.

  19. 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.

  20. Stochastic modeling for reliability shocks, burn-in and heterogeneous populations

    CERN Document Server

    Finkelstein, Maxim

    2013-01-01

    Focusing on shocks modeling, burn-in and heterogeneous populations, Stochastic Modeling for Reliability naturally combines these three topics in the unified stochastic framework and presents numerous practical examples that illustrate recent theoretical findings of the authors.  The populations of manufactured items in industry are usually heterogeneous. However, the conventional reliability analysis is performed under the implicit assumption of homogeneity, which can result in distortion of the corresponding reliability indices and various misconceptions. Stochastic Modeling for Reliability fills this gap and presents the basics and further developments of reliability theory for heterogeneous populations. Specifically, the authors consider burn-in as a method of elimination of ‘weak’ items from heterogeneous populations. The real life objects are operating in a changing environment. One of the ways to model an impact of this environment is via the external shocks occurring in accordance with some stocha...

  1. A Multianalyzer Machine Learning Model for Marine Heterogeneous Data Schema Mapping

    Directory of Open Access Journals (Sweden)

    Wang Yan

    2014-01-01

    Full Text Available The main challenges that marine heterogeneous data integration faces are the problem of accurate schema mapping between heterogeneous data sources. In order to improve the schema mapping efficiency and get more accurate learning results, this paper proposes a heterogeneous data schema mapping method basing on multianalyzer machine learning model. The multianalyzer analysis the learning results comprehensively, and a fuzzy comprehensive evaluation system is introduced for output results’ evaluation and multi factor quantitative judging. Finally, the data mapping comparison experiment on the East China Sea observing data confirms the effectiveness of the model and shows multianalyzer’s obvious improvement of mapping error rate.

  2. A Multianalyzer Machine Learning Model for Marine Heterogeneous Data Schema Mapping

    Science.gov (United States)

    Yan, Wang; Jiajin, Le; Yun, Zhang

    2014-01-01

    The main challenges that marine heterogeneous data integration faces are the problem of accurate schema mapping between heterogeneous data sources. In order to improve the schema mapping efficiency and get more accurate learning results, this paper proposes a heterogeneous data schema mapping method basing on multianalyzer machine learning model. The multianalyzer analysis the learning results comprehensively, and a fuzzy comprehensive evaluation system is introduced for output results' evaluation and multi factor quantitative judging. Finally, the data mapping comparison experiment on the East China Sea observing data confirms the effectiveness of the model and shows multianalyzer's obvious improvement of mapping error rate. PMID:25250372

  3. Modelling and analysis of CVD processes for ceramic membrane preparation

    NARCIS (Netherlands)

    Brinkman, H.W.; Cao, G.Z.; Meijerink, J.; de Vries, Karel Jan; Burggraaf, Anthonie

    1993-01-01

    A mathematical model is presented that describes the modified chemical vapour deposition (CVD) process (which takes place in advance of the electrochemical vapour deposition (EVD) process) to deposit ZrO2 inside porous media for the preparation and modification of ceramic membranes. The isobaric

  4. Ultrafast spectroscopy of model biological membranes

    NARCIS (Netherlands)

    Ghosh, Avishek

    2009-01-01

    In this PhD thesis, I have described the novel time-resolved sum-frequency generation (TR-SFG) spectroscopic technique that I developed during the course of my PhD research and used it study the ultrafast vibrational, structural and orientational dynamics of water molecules at model biological

  5. Nambu sigma model and effective membrane actions

    Energy Technology Data Exchange (ETDEWEB)

    Jurco, Branislav, E-mail: jurco@karlin.mff.cuni.cz [Mathematical Institute, Charles University, Prague 186 75 (Czech Republic); Schupp, Peter, E-mail: p.schupp@jacobs-university.de [Jacobs University Bremen, 28759 Bremen (Germany); Maxwell Institute for Mathematical Sciences, Heriot-Watt University, Edinburgh, EH14 4AS, Scotland (United Kingdom)

    2012-07-09

    We propose an effective action for a p{sup Prime }-brane with open p-branes ending on it. The action has dual descriptions similar to the commutative and non-commutative ones of the DBI action for D-branes and open strings. The Poisson structure governing the non-commutativity of the D-brane is replaced by a Nambu structure and the open-closed string relations are generalized to the case of p-branes utilizing a novel Nambu sigma model description of p-branes. In the case of an M5-brane our action interpolates between M5-actions already proposed in the literature and matrix-model like actions involving Nambu structures.

  6. Nambu sigma model and effective membrane actions

    International Nuclear Information System (INIS)

    Jurčo, Branislav; Schupp, Peter

    2012-01-01

    We propose an effective action for a p ′ -brane with open p-branes ending on it. The action has dual descriptions similar to the commutative and non-commutative ones of the DBI action for D-branes and open strings. The Poisson structure governing the non-commutativity of the D-brane is replaced by a Nambu structure and the open-closed string relations are generalized to the case of p-branes utilizing a novel Nambu sigma model description of p-branes. In the case of an M5-brane our action interpolates between M5-actions already proposed in the literature and matrix-model like actions involving Nambu structures.

  7. Initial assessment of a model relating intratumoral genetic heterogeneity to radiological morphology

    Science.gov (United States)

    Noterdaeme, O; Kelly, M; Friend, P; Soonowalla, Z; Steers, G; Brady, M

    2010-01-01

    Tumour heterogeneity has major implications for tumour development and response to therapy. Tumour heterogeneity results from mutations in the genes responsible for mismatch repair or maintenance of chromosomal stability. Cells with different genetic properties may grow at different rates and exhibit different resistance to therapeutic interventions. To date, there exists no approach to non-invasively assess tumour heterogeneity. Here we present a biologically inspired model of tumour growth, which relates intratumoral genetic heterogeneity to gross morphology visible on radiological images. The model represents the development of a tumour as a set of expanding spheres, each sphere representing a distinct clonal centre, with the sprouting of new spheres corresponding to new clonal centres. Each clonal centre may possess different characteristics relating to genetic composition, growth rate and response to treatment. We present a clinical example for which the model accurately tracks tumour growth and shows the correspondence to genetic variation (as determined by array comparative genomic hybridisation). One clinical implication of our work is that the assessment of heterogeneous tumours using Response Evaluation Criteria In Solid Tumours (RECIST) or volume measurements may not accurately reflect tumour growth, stability or the response to treatment. We believe that this is the first model linking the macro-scale appearance of tumours to their genetic composition. We anticipate that our model will provide a more informative way to assess the response of heterogeneous tumours to treatment, which is of increasing importance with the development of novel targeted anti-cancer treatments. PMID:19690073

  8. Modeling and forecasting energy consumption for heterogeneous buildings using a physical–statistical approach

    International Nuclear Information System (INIS)

    Lü, Xiaoshu; Lu, Tao; Kibert, Charles J.; Viljanen, Martti

    2015-01-01

    Highlights: • This paper presents a new modeling method to forecast energy demands. • The model is based on physical–statistical approach to improving forecast accuracy. • A new method is proposed to address the heterogeneity challenge. • Comparison with measurements shows accurate forecasts of the model. • The first physical–statistical/heterogeneous building energy modeling approach is proposed and validated. - Abstract: Energy consumption forecasting is a critical and necessary input to planning and controlling energy usage in the building sector which accounts for 40% of the world’s energy use and the world’s greatest fraction of greenhouse gas emissions. However, due to the diversity and complexity of buildings as well as the random nature of weather conditions, energy consumption and loads are stochastic and difficult to predict. This paper presents a new methodology for energy demand forecasting that addresses the heterogeneity challenges in energy modeling of buildings. The new method is based on a physical–statistical approach designed to account for building heterogeneity to improve forecast accuracy. The physical model provides a theoretical input to characterize the underlying physical mechanism of energy flows. Then stochastic parameters are introduced into the physical model and the statistical time series model is formulated to reflect model uncertainties and individual heterogeneity in buildings. A new method of model generalization based on a convex hull technique is further derived to parameterize the individual-level model parameters for consistent model coefficients while maintaining satisfactory modeling accuracy for heterogeneous buildings. The proposed method and its validation are presented in detail for four different sports buildings with field measurements. The results show that the proposed methodology and model can provide a considerable improvement in forecasting accuracy

  9. Unobserved Heterogeneity in the Binary Logit Model with Cross-Sectional Data and Short Panels

    DEFF Research Database (Denmark)

    Holm, Anders; Jæger, Mads Meier; Pedersen, Morten

    This paper proposes a new approach to dealing with unobserved heterogeneity in applied research using the binary logit model with cross-sectional data and short panels. Unobserved heterogeneity is particularly important in non-linear regression models such as the binary logit model because, unlike...... in linear regression models, estimates of the effects of observed independent variables are biased even when omitted independent variables are uncorrelated with the observed independent variables. We propose an extension of the binary logit model based on a finite mixture approach in which we conceptualize...

  10. 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

    and users to generate and test models systematically, efficiently and reliably. In this way, development of products and processes can be faster, cheaper and very efficient. In this contribution, as part of the framework a generic modeling template for the systematic derivation of problem specific catalytic...... 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....

  11. Role of spatial heterogeneity in the collective dynamics of cilia beating in a minimal one-dimensional model

    Science.gov (United States)

    Dey, Supravat; Massiera, Gladys; Pitard, Estelle

    2018-01-01

    Cilia are elastic hairlike protuberances of the cell membrane found in various unicellular organisms and in several tissues of most living organisms. In some tissues such as the airway tissues of the lung, the coordinated beating of cilia induces a fluid flow of crucial importance as it allows the continuous cleaning of our bronchia, known as mucociliary clearance. While most of the models addressing the question of collective dynamics and metachronal wave consider homogeneous carpets of cilia, experimental observations rather show that cilia clusters are heterogeneously distributed over the tissue surface. The purpose of this paper is to investigate the role of spatial heterogeneity on the coherent beating of cilia using a very simple one-dimensional model for cilia known as the rower model. We systematically study systems consisting of a few rowers to hundreds of rowers and we investigate the conditions for the emergence of collective beating. When considering a small number of rowers, a phase drift occurs, hence, a bifurcation in beating frequency is observed as the distance between rower clusters is changed. In the case of many rowers, a distribution of frequencies is observed. We found in particular the pattern of the patchy structure that shows the best robustness in collective beating behavior, as the density of cilia is varied over a wide range.

  12. A Generalized Estimating Equations Approach to Model Heterogeneity and Time Dependence in Capture-Recapture Studies

    Directory of Open Access Journals (Sweden)

    Akanda Md. Abdus Salam

    2017-03-01

    Full Text Available Individual heterogeneity in capture probabilities and time dependence are fundamentally important for estimating the closed animal population parameters in capture-recapture studies. A generalized estimating equations (GEE approach accounts for linear correlation among capture-recapture occasions, and individual heterogeneity in capture probabilities in a closed population capture-recapture individual heterogeneity and time variation model. The estimated capture probabilities are used to estimate animal population parameters. Two real data sets are used for illustrative purposes. A simulation study is carried out to assess the performance of the GEE estimator. A Quasi-Likelihood Information Criterion (QIC is applied for the selection of the best fitting model. This approach performs well when the estimated population parameters depend on the individual heterogeneity and the nature of linear correlation among capture-recapture occasions.

  13. Ciliary heterogeneity within a single cell: the Paramecium model.

    Science.gov (United States)

    Aubusson-Fleury, Anne; Cohen, Jean; Lemullois, Michel

    2015-01-01

    Paramecium is a single cell able to divide in its morphologically differentiated stage that has many cilia anchored at its cell surface. Many thousands of cilia are thus assembled in a short period of time during division to duplicate the cell pattern while the cell continues swimming. Most, but not all, of these sensory cilia are motile and involved in two main functions: prey capture and cell locomotion. These cilia display heterogeneity, both in their length and their biochemical properties. Thanks to these properties, as well as to the availability of many postgenomic tools and the possibility to follow the regrowth of cilia after deciliation, Paramecium offers a nice opportunity to study the assembly of the cilia, as well as the genesis of their diversity within a single cell. In this paper, after a brief survey of Paramecium morphology and cilia properties, we describe the tools and the protocols currently used for immunofluorescence, transmission electron microscopy, and ultrastructural immunocytochemistry to analyze cilia, with special recommendations to overcome the problem raised by cilium diversity. Copyright © 2015. Published by Elsevier Inc.

  14. Revealing spatially heterogeneous relaxation in a model nanocomposite

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Shiwang; Bocharova, Vera [Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Mirigian, Stephen; Schweizer, Kenneth S. [Department of Materials Science and Chemistry, Frederick Seitz Materials Research Laboratory, University of Illinois, Urbana, Illinois 61801 (United States); Carrillo, Jan-Michael Y.; Sumpter, Bobby G. [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Sokolov, Alexei P., E-mail: sokolov@utk.edu [Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Department of Chemistry, Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996 (United States)

    2015-11-21

    The detailed nature of spatially heterogeneous dynamics of glycerol-silica nanocomposites is unraveled by combining dielectric spectroscopy with atomistic simulation and statistical mechanical theory. Analysis of the spatial mobility gradient shows no “glassy” layer, but the α-relaxation time near the nanoparticle grows with cooling faster than the α-relaxation time in the bulk and is ∼20 times longer at low temperatures. The interfacial layer thickness increases from ∼1.8 nm at higher temperatures to ∼3.5 nm upon cooling to near bulk T{sub g}. A real space microscopic description of the mobility gradient is constructed by synergistically combining high temperature atomistic simulation with theory. Our analysis suggests that the interfacial slowing down arises mainly due to an increase of the local cage scale barrier for activated hopping induced by enhanced packing and densification near the nanoparticle surface. The theory is employed to predict how local surface densification can be manipulated to control layer dynamics and shear rigidity over a wide temperature range.

  15. Loss Performance Modeling for Hierarchical Heterogeneous Wireless Networks With Speed-Sensitive Call Admission Control

    DEFF Research Database (Denmark)

    Huang, Qian; Huang, Yue-Cai; Ko, King-Tim

    2011-01-01

    . This approach avoids unnecessary and frequent handoff between cells and reduces signaling overheads. An approximation model with guaranteed accuracy and low computational complexity is presented for the loss performance of multiservice traffic. The accuracy of numerical results is validated by comparing......A hierarchical overlay structure is an alternative solution that integrates existing and future heterogeneous wireless networks to provide subscribers with better mobile broadband services. Traffic loss performance in such integrated heterogeneous networks is necessary for an operator's network...

  16. Modeling heterogeneous populations of thermostatically controlled loads using diffusion-advection PDEs

    DEFF Research Database (Denmark)

    Moura, Scott; Ruiz, Victor; Bendtsen, Jan Dimon

    2013-01-01

    This paper focuses on developing a partial differential equation (PDE)-based model and parameter identification scheme for heterogeneous populations of thermostatically controlled loads (TCLs). First, a coupled two-state hyperbolic PDE model for homogenous TCL populations is derived. This model i...

  17. Discrete time duration models with group-level heterogeneity

    DEFF Research Database (Denmark)

    Frederiksen, Anders; Honoré, Bo; Hu, Loujia

    2007-01-01

    Dynamic discrete choice panel data models have received a great deal of attention. In those models, the dynamics is usually handled by including the lagged outcome as an explanatory variable. In this paper we consider an alternative model in which the dynamics is handled by using the duration...

  18. Surface-complexation models for sorption onto heterogeneous surfaces

    International Nuclear Information System (INIS)

    Harvey, K.B.

    1997-10-01

    This report provides a description of the discrete-logK spectrum model, together with a description of its derivation, and of its place in the larger context of surface-complexation modelling. The tools necessary to apply the discrete-logK spectrum model are discussed, and background information appropriate to this discussion is supplied as appendices. (author)

  19. 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...... 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...

  20. Rethinking the evolution of specialization: A model for the evolution of phenotypic heterogeneity.

    Science.gov (United States)

    Rubin, Ilan N; Doebeli, Michael

    2017-12-21

    Phenotypic heterogeneity refers to genetically identical individuals that express different phenotypes, even when in the same environment. Traditionally, "bet-hedging" in fluctuating environments is offered as the explanation for the evolution of phenotypic heterogeneity. However, there are an increasing number of examples of microbial populations that display phenotypic heterogeneity in stable environments. Here we present an evolutionary model of phenotypic heterogeneity of microbial metabolism and a resultant theory for the evolution of phenotypic versus genetic specialization. We use two-dimensional adaptive dynamics to track the evolution of the population phenotype distribution of the expression of two metabolic processes with a concave trade-off. Rather than assume a Gaussian phenotype distribution, we use a Beta distribution that is capable of describing genotypes that manifest as individuals with two distinct phenotypes. Doing so, we find that environmental variation is not a necessary condition for the evolution of phenotypic heterogeneity, which can evolve as a form of specialization in a stable environment. There are two competing pressures driving the evolution of specialization: directional selection toward the evolution of phenotypic heterogeneity and disruptive selection toward genetically determined specialists. Because of the lack of a singular point in the two-dimensional adaptive dynamics and the fact that directional selection is a first order process, while disruptive selection is of second order, the evolution of phenotypic heterogeneity dominates and often precludes speciation. We find that branching, and therefore genetic specialization, occurs mainly under two conditions: the presence of a cost to maintaining a high phenotypic variance or when the effect of mutations is large. A cost to high phenotypic variance dampens the strength of selection toward phenotypic heterogeneity and, when sufficiently large, introduces a singular point into

  1. A distributed dynamic model of a monolith hydrogen membrane reactor

    International Nuclear Information System (INIS)

    Michelsen, Finn Are; Wilhelmsen, Øivind; Zhao, Lei; Aasen, Knut Ingvar

    2013-01-01

    Highlights: ► We model a rigorous distributed dynamic model for a HMR unit. ► The model includes enough complexity for steady-state and dynamic analysis. ► Simulations show that the model is non-linear within the normal operating range. ► The model is useful for studying and handling disturbances such as inlet changes and membrane leakage. - Abstract: This paper describes a distributed mechanistic dynamic model of a hydrogen membrane reformer unit (HMR) used for methane steam reforming. The model is based on a square channel monolith structure concept, where air flows adjacent to a mix of natural gas and water distributed in a chess pattern of channels. Combustion of hydrogen gives energy to the endothermic steam reforming reactions. The model is used for both steady state and dynamic analyses. It therefore needs to be computationally attractive, but still include enough complexity to study the important steady state and dynamic features of the process. Steady-state analysis of the model gives optimum for the steam to carbon and steam to oxygen ratios, where the conversion of methane is 92% and the hydrogen used as energy for the endothermic reactions is 28% at the nominal optimum. The dynamic analysis shows that non-linear control schemes may be necessary for satisfactory control performance

  2. Using Dirichlet Processes for Modeling Heterogeneous Treatment Effects across Sites

    Science.gov (United States)

    Miratrix, Luke; Feller, Avi; Pillai, Natesh; Pati, Debdeep

    2016-01-01

    Modeling the distribution of site level effects is an important problem, but it is also an incredibly difficult one. Current methods rely on distributional assumptions in multilevel models for estimation. There it is hoped that the partial pooling of site level estimates with overall estimates, designed to take into account individual variation as…

  3. Dose loading mathematical modelling of moving through heterogeneous radiation fields

    International Nuclear Information System (INIS)

    Batyij, Je.V.; Kotlyarov, V.T.

    2006-01-01

    Software component for management of data on gamma exposition dose spatial distribution was created in the frameworks of the Ukryttya information model creation. Availability of state-of-the-art programming technologies (NET., ObjectARX) for integration of different models of radiation-hazardous condition to digital engineer documentation system (AutoCAD) was shown on the basis of the component example

  4. Seismic modeling of multidimensional heterogeneity scales of Mallik gas hydrate reservoirs, Northwest Territories of Canada

    Science.gov (United States)

    Huang, Jun-Wei; Bellefleur, Gilles; Milkereit, Bernd

    2009-07-01

    In hydrate-bearing sediments, the velocity and attenuation of compressional and shear waves depend primarily on the spatial distribution of hydrates in the pore space of the subsurface lithologies. Recent characterizations of gas hydrate accumulations based on seismic velocity and attenuation generally assume homogeneous sedimentary layers and neglect effects from large- and small-scale heterogeneities of hydrate-bearing sediments. We present an algorithm, based on stochastic medium theory, to construct heterogeneous multivariable models that mimic heterogeneities of hydrate-bearing sediments at the level of detail provided by borehole logging data. Using this algorithm, we model some key petrophysical properties of gas hydrates within heterogeneous sediments near the Mallik well site, Northwest Territories, Canada. The modeled density, and P and S wave velocities used in combination with a modified Biot-Gassmann theory provide a first-order estimate of the in situ volume of gas hydrate near the Mallik 5L-38 borehole. Our results suggest a range of 528 to 768 × 106 m3/km2 of natural gas trapped within hydrates, nearly an order of magnitude lower than earlier estimates which did not include effects of small-scale heterogeneities. Further, the petrophysical models are combined with a 3-D finite difference modeling algorithm to study seismic attenuation due to scattering and leaky mode propagation. Simulations of a near-offset vertical seismic profile and cross-borehole numerical surveys demonstrate that attenuation of seismic energy may not be directly related to the intrinsic attenuation of hydrate-bearing sediments but, instead, may be largely attributed to scattering from small-scale heterogeneities and highly attenuate leaky mode propagation of seismic waves through larger-scale heterogeneities in sediments.

  5. A space-fractional Monodomain model for cardiac electrophysiology combining anisotropy and heterogeneity on realistic geometries

    Science.gov (United States)

    Cusimano, N.; Gerardo-Giorda, L.

    2018-06-01

    Classical models of electrophysiology do not typically account for the effects of high structural heterogeneity in the spatio-temporal description of excitation waves propagation. We consider a modification of the Monodomain model obtained by replacing the diffusive term of the classical formulation with a fractional power of the operator, defined in the spectral sense. The resulting nonlocal model describes different levels of tissue heterogeneity as the fractional exponent is varied. The numerical method for the solution of the fractional Monodomain relies on an integral representation of the nonlocal operator combined with a finite element discretisation in space, allowing to handle in a natural way bounded domains in more than one spatial dimension. Numerical tests in two spatial dimensions illustrate the features of the model. Activation times, action potential duration and its dispersion throughout the domain are studied as a function of the fractional parameter: the expected peculiar behaviour driven by tissue heterogeneities is recovered.

  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. Multi-layer membrane model for mass transport in a direct ethanol fuel cell using an alkaline anion exchange membrane

    Science.gov (United States)

    Bahrami, Hafez; Faghri, Amir

    2012-11-01

    A one-dimensional, isothermal, single-phase model is presented to investigate the mass transport in a direct ethanol fuel cell incorporating an alkaline anion exchange membrane. The electrochemistry is analytically solved and the closed-form solution is provided for two limiting cases assuming Tafel expressions for both oxygen reduction and ethanol oxidation. A multi-layer membrane model is proposed to properly account for the diffusive and electroosmotic transport of ethanol through the membrane. The fundamental differences in fuel crossover for positive and negative electroosmotic drag coefficients are discussed. It is found that ethanol crossover is significantly reduced upon using an alkaline anion exchange membrane instead of a proton exchange membrane, especially at current densities higher than 500 A m

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

    NARCIS (Netherlands)

    Zondervan, E.; Roffel, B.

    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

  9. Assessing and accounting for time heterogeneity in stochastic actor oriented models

    NARCIS (Netherlands)

    Lospinoso, Joshua A.; Schweinberger, Michael; Snijders, Tom A. B.; Ripley, Ruth M.

    This paper explores time heterogeneity in stochastic actor oriented models (SAOM) proposed by Snijders (Sociological methodology. Blackwell, Boston, pp 361-395, 2001) which are meant to study the evolution of networks. SAOMs model social networks as directed graphs with nodes representing people,

  10. Stochastic equilibria of an asset pricing model with heterogeneous beliefs and random dividends

    NARCIS (Netherlands)

    Zhu, M.; Wang, D.; Guo, M.

    2011-01-01

    We investigate dynamical properties of a heterogeneous agent model with random dividends and further study the relationship between dynamical properties of the random model and those of the corresponding deterministic skeleton, which is obtained by setting the random dividends as their constant mean

  11. Bridging Models and Business: Understanding heterogeneity in hidden drivers of customer purchase behavior

    NARCIS (Netherlands)

    E. Korkmaz (Evsen)

    2014-01-01

    markdownabstract__Abstract__ Recent years have seen many advances in quantitative models in the marketing literature. Even though these advances enable model building for a better understanding of customer purchase behavior and customer heterogeneity such that firms develop optimal targeting and

  12. Heterogeneity in Wage Setting Behavior in a New-Keynesian Model

    NARCIS (Netherlands)

    Eijffinger, S.C.W.; Grajales Olarte, A.; Uras, R.B.

    2015-01-01

    In this paper we estimate a New-Keynesian DSGE model with heterogeneity in price and wage setting behavior. In a recent study, Coibion and Gorodnichenko (2011) develop a DSGE model, in which firms follow four different types of price setting schemes: sticky prices, sticky information, rule of thumb,

  13. A realistic closed-form radiobiological model of clinical tumor-control data incorporating intertumor heterogeneity

    International Nuclear Information System (INIS)

    Roberts, Stephen A.; Hendry, Jolyon H.

    1998-01-01

    Purpose: To investigate the role of intertumor heterogeneity in clinical tumor control datasets and the relationship to in vitro measurements of tumor biopsy samples. Specifically, to develop a modified linear-quadratic (LQ) model incorporating such heterogeneity that it is practical to fit to clinical tumor-control datasets. Methods and Materials: We developed a modified version of the linear-quadratic (LQ) model for tumor control, incorporating a (lagged) time factor to allow for tumor cell repopulation. We explicitly took into account the interpatient heterogeneity in clonogen number, radiosensitivity, and repopulation rate. Using this model, we could generate realistic TCP curves using parameter estimates consistent with those reported from in vitro studies, subject to the inclusion of a radiosensitivity (or dose)-modifying factor. We then demonstrated that the model was dominated by the heterogeneity in α (tumor radiosensitivity) and derived an approximate simplified model incorporating this heterogeneity. This simplified model is expressible in a compact closed form, which it is practical to fit to clinical datasets. Using two previously analysed datasets, we fit the model using direct maximum-likelihood techniques and obtained parameter estimates that were, again, consistent with the experimental data on the radiosensitivity of primary human tumor cells. This heterogeneity model includes the same number of adjustable parameters as the standard LQ model. Results: The modified model provides parameter estimates that can easily be reconciled with the in vitro measurements. The simplified (approximate) form of the heterogeneity model is a compact, closed-form probit function that can readily be fitted to clinical series by conventional maximum-likelihood methodology. This heterogeneity model provides a slightly better fit to the datasets than the conventional LQ model, with the same numbers of fitted parameters. The parameter estimates of the clinically

  14. 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...... for the lateral organization of membranes as wells as for physical properties like bending, permeability and elasticity...

  15. Modelling heterogeneity of concrete using 2D lattice network for ...

    Indian Academy of Sciences (India)

    present work brings out certain finer details which are not available explicitly in the earlier works. Keywords. Concrete fracture; lattice model; Fuller distribution; ... examples are cement mortar and concrete in civil engineering. ..... Although acoustic emission technique is a well established non destructive testing (NDT).

  16. Network formation under heterogeneous costs: The multiple group model

    NARCIS (Netherlands)

    Kamphorst, J.J.A.; van der Laan, G.

    2007-01-01

    It is widely recognized that the shape of networks influences both individual and aggregate behavior. This raises the question which types of networks are likely to arise. In this paper we investigate a model of network formation, where players are divided into groups and the costs of a link between

  17. The heterogeneous heuristic modeling framework for inferring decision processes

    NARCIS (Netherlands)

    Zhu, W.; Timmermans, H.J.P.; Rasouli, S.; Timmermans, H.J.P.

    2015-01-01

    Purpose – Increasing evidence suggests that choice behaviour in real world may be guided by principles of bounded rationality as opposed to typically assumed fully rational behaviour, based on the principle of utility- maximization. Under such circumstances, conventional rational choice models

  18. Confidence Intervals for Assessing Heterogeneity in Generalized Linear Mixed Models

    Science.gov (United States)

    Wagler, Amy E.

    2014-01-01

    Generalized linear mixed models are frequently applied to data with clustered categorical outcomes. The effect of clustering on the response is often difficult to practically assess partly because it is reported on a scale on which comparisons with regression parameters are difficult to make. This article proposes confidence intervals for…

  19. A duopoly model with heterogeneous congestion-sensitive customers.

    NARCIS (Netherlands)

    Mandjes, M.R.H.; Timmer, J.

    2007-01-01

    Abstract This paper analyzes a model with two firms (providers), and two classes of customers. These customers classes are characterized by their attitude towards ‘congestion’ (caused by other customers using the same resources); a firm is selected on the basis of both the prices charged by the

  20. A duopoly model with heterogeneous congestion-sensitive customers

    NARCIS (Netherlands)

    Mandjes, M.R.H.; Timmer, Judith B.

    This paper analyzes a model with two firms (providers), and two classes of customers. These customers classes are characterized by their attitude towards ‘congestion’ (caused by other customers using the same resources); a firm is selected on the basis of both the prices charged by the firms, and

  1. A duopoly model with heterogeneous congestion-sensitive customers

    NARCIS (Netherlands)

    Mandjes, M.R.H.; Timmer, Judith B.

    2003-01-01

    This paper analyzes a model with multiple firms (providers), and two classes of customers. These customers classes are characterized by their attitude towards `congestion' (caused by other customers using the same resources); a firm is selected on the basis of both the prices charged by the firms,

  2. Stochastic models of solute transport in highly heterogeneous geologic media

    Energy Technology Data Exchange (ETDEWEB)

    Semenov, V.N.; Korotkin, I.A.; Pruess, K.; Goloviznin, V.M.; Sorokovikova, O.S.

    2009-09-15

    A stochastic model of anomalous diffusion was developed in which transport occurs by random motion of Brownian particles, described by distribution functions of random displacements with heavy (power-law) tails. One variant of an effective algorithm for random function generation with a power-law asymptotic and arbitrary factor of asymmetry is proposed that is based on the Gnedenko-Levy limit theorem and makes it possible to reproduce all known Levy {alpha}-stable fractal processes. A two-dimensional stochastic random walk algorithm has been developed that approximates anomalous diffusion with streamline-dependent and space-dependent parameters. The motivation for introducing such a type of dispersion model is the observed fact that tracers in natural aquifers spread at different super-Fickian rates in different directions. For this and other important cases, stochastic random walk models are the only known way to solve the so-called multiscaling fractional order diffusion equation with space-dependent parameters. Some comparisons of model results and field experiments are presented.

  3. Modelling the meteorological forest fire niche in heterogeneous pyrologic conditions.

    Science.gov (United States)

    De Angelis, Antonella; Ricotta, Carlo; Conedera, Marco; Pezzatti, Gianni Boris

    2015-01-01

    Fire regimes are strongly related to weather conditions that directly and indirectly influence fire ignition and propagation. Identifying the most important meteorological fire drivers is thus fundamental for daily fire risk forecasting. In this context, several fire weather indices have been developed focussing mainly on fire-related local weather conditions and fuel characteristics. The specificity of the conditions for which fire danger indices are developed makes its direct transfer and applicability problematic in different areas or with other fuel types. In this paper we used the low-to-intermediate fire-prone region of Canton Ticino as a case study to develop a new daily fire danger index by implementing a niche modelling approach (Maxent). In order to identify the most suitable weather conditions for fires, different combinations of input variables were tested (meteorological variables, existing fire danger indices or a combination of both). Our findings demonstrate that such combinations of input variables increase the predictive power of the resulting index and surprisingly even using meteorological variables only allows similar or better performances than using the complex Canadian Fire Weather Index (FWI). Furthermore, the niche modelling approach based on Maxent resulted in slightly improved model performance and in a reduced number of selected variables with respect to the classical logistic approach. Factors influencing final model robustness were the number of fire events considered and the specificity of the meteorological conditions leading to fire ignition.

  4. A Mixture Innovation Heterogeneous Autoregressive Model for Structural Breaks and Long Memory

    DEFF Research Database (Denmark)

    Nonejad, Nima

    We propose a flexible model to describe nonlinearities and long-range dependence in time series dynamics. Our model is an extension of the heterogeneous autoregressive model. Structural breaks occur through mixture distributions in state innovations of linear Gaussian state space models. Monte...... Carlo simulations evaluate the properties of the estimation procedures. Results show that the proposed model is viable and flexible for purposes of forecasting volatility. Model uncertainty is accounted for by employing Bayesian model averaging. Bayesian model averaging provides very competitive...... forecasts compared to any single model specification. It provides further improvements when we average over nonlinear specifications....

  5. Influence of heterogeneity on rock strength and stiffness using discrete element method and parallel bond model

    Directory of Open Access Journals (Sweden)

    Spyridon Liakas

    2017-08-01

    Full Text Available The particulate discrete element method (DEM can be employed to capture the response of rock, provided that appropriate bonding models are used to cement the particles to each other. Simulations of laboratory tests are important to establish the extent to which those models can capture realistic rock behaviors. Hitherto the focus in such comparison studies has either been on homogeneous specimens or use of two-dimensional (2D models. In situ rock formations are often heterogeneous, thus exploring the ability of this type of models to capture heterogeneous material behavior is important to facilitate their use in design analysis. In situ stress states are basically three-dimensional (3D, and therefore it is important to develop 3D models for this purpose. This paper revisits an earlier experimental study on heterogeneous specimens, of which the relative proportions of weaker material (siltstone and stronger, harder material (sandstone were varied in a controlled manner. Using a 3D DEM model with the parallel bond model, virtual heterogeneous specimens were created. The overall responses in terms of variations in strength and stiffness with different percentages of weaker material (siltstone were shown to agree with the experimental observations. There was also a good qualitative agreement in the failure patterns observed in the experiments and the simulations, suggesting that the DEM data enabled analysis of the initiation of localizations and micro fractures in the specimens.

  6. 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.

  7. Interaction of arsenic compounds with model phospholipid membranes

    International Nuclear Information System (INIS)

    Jemiola-Rzeminska, Malgorzata; Rivera, Cecilia; Suwalsky, Mario; Strzalka, Kazimierz

    2007-01-01

    This study is part of a project aimed at examining the influence of arsenic on biological membranes. By the use of differential scanning calorimetry (DSC) we have followed the thermotropic behavior of multilamellar vesicles prepared from dimyristoylphosphatidylcholine (DMPC) and dimyristoylphosphatidylethanolamine (DMPE) upon incorporation of sodium arsenite (AsI), disodium arsenate (AsII), cacodylic acid (AsIII) and disodium methyl arsenate (AsIV). The effectiveness of perturbations exerted by various arsenic compounds on thermotropic phase transition was further analysed in terms of thermodynamic parameters: transition temperature, enthalpy and molar heat capacity, determined for lipid/As systems on the basis of heating and cooling scans. It is found that while it only has a slight influence on the thermotropic properties of DMPC, arsenic is able to significantly modify DMPE model membranes

  8. A Unified Model Explaining Heterogeneous Ziegler-Natta Catalysis

    KAUST Repository

    Credendino, Raffaele

    2015-08-12

    We propose a model for MgCl2 supported Ziegler-Natta catalysts capable to reconcile the discrepancies emerged in the last 20 years, when experimental data were tried to be rationalized by molecular models. We show that step defects on the neglected but thermodynamically more stable (104) facet of MgCl2 can lead to sites for strong TiCl4 adsorption. The corresponding Ti-active site is stereoeselective, and its stereoselectivity can be enhanced by coordination of Al-alkyls or Lewis bases in the close proximity. The surface energy of the step defected (104) MgCl2 facet is clearly lower than that of the well accepted (110) facet.

  9. A Unified Model Explaining Heterogeneous Ziegler-Natta Catalysis

    KAUST Repository

    Credendino, Raffaele; Liguori, Dario; Fan, Zhiqiang; Morini, Giampiero; Cavallo, Luigi

    2015-01-01

    We propose a model for MgCl2 supported Ziegler-Natta catalysts capable to reconcile the discrepancies emerged in the last 20 years, when experimental data were tried to be rationalized by molecular models. We show that step defects on the neglected but thermodynamically more stable (104) facet of MgCl2 can lead to sites for strong TiCl4 adsorption. The corresponding Ti-active site is stereoeselective, and its stereoselectivity can be enhanced by coordination of Al-alkyls or Lewis bases in the close proximity. The surface energy of the step defected (104) MgCl2 facet is clearly lower than that of the well accepted (110) facet.

  10. 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.

  11. Effect of porosity heterogeneity on the permeability and tortuosity of gas diffusion layers in polymer electrolyte membrane fuel cells

    Science.gov (United States)

    Nabovati, Aydin; Hinebaugh, James; Bazylak, Aimy; Amon, Cristina H.

    2014-02-01

    In this paper, we study the effect of porosity heterogeneity on the bulk hydrodynamic properties (permeability and tortuosity) of simulated gas diffusion layers (GDLs). The porosity distributions of the heterogeneous reconstructed samples are similar to those previously reported in the literature for Toray TGP-H 120™ GDLs. We use the lattice Boltzmann method to perform pore-level flow simulations in the reconstructed GDL samples. Using the results of pore-level simulations, the effect of porosity distribution is characterized on the predicted in- and cross-plane permeability and tortuosity. It was found that porosity heterogeneity causes a higher in-plane permeability and lower in-plane tortuosity, while the effect is opposite in the cross-plane direction, that is a lower cross-plane permeability and a higher cross-plane tortuosity. We further investigate the effect of adding poly-tetra-fluoro-ethylene (PTFE) & binder material to the reconstructed GDL samples. Three fiber volume percentages of 50, 75, and 100% are considered. Overall, increasing the fiber volume percentage reduces the predicted in- and cross-plane permeability and tortuosity values. A previously reported relationship for permeability of fibrous materials is fitted to the predicted permeability values, and the magnitude of the fitting parameter is reported as a function of fiber volume percentage.

  12. Evaluating 3-D and 1-D mathematical models for mass transport in heterogeneous biofilms

    DEFF Research Database (Denmark)

    Morgenroth, Eberhard Friedrich; Eberl, H.; van Loosdrecht, M. C. M.

    2000-01-01

    Results from a three dimensional model for heterogeneous biofilms including the numerical solution of hydrodynamics were compared to simplified one dimensional models. A one dimensional model with a variable diffusion coefficient over the thickness of the biofilm was well suited to approximate...... average concentration profiles of three dimensional simulations of rough biofilms. A new compartmentalized one dimensional model is presented that is then used to evaluate effects of pores and channels on microbial competition in heterogeneous biofilms. Surface and pore regions of the biofilm are modeled...... using separate compartments coupled by a convective link. Local concentration profiles from the three dimensional simulations could be adequately reproduced using the compartmentalized one dimensional model. The compartmentalized one dimensional model was then used to evaluate bacterial competition...

  13. To Model Chemical Reactivity in Heterogeneous Emulsions, Think Homogeneous Microemulsions.

    Science.gov (United States)

    Bravo-Díaz, Carlos; Romsted, Laurence Stuart; Liu, Changyao; Losada-Barreiro, Sonia; Pastoriza-Gallego, Maria José; Gao, Xiang; Gu, Qing; Krishnan, Gunaseelan; Sánchez-Paz, Verónica; Zhang, Yongliang; Dar, Aijaz Ahmad

    2015-08-25

    Two important and unsolved problems in the food industry and also fundamental questions in colloid chemistry are how to measure molecular distributions, especially antioxidants (AOs), and how to model chemical reactivity, including AO efficiency in opaque emulsions. The key to understanding reactivity in organized surfactant media is that reaction mechanisms are consistent with a discrete structures-separate continuous regions duality. Aggregate structures in emulsions are determined by highly cooperative but weak organizing forces that allow reactants to diffuse at rates approaching their diffusion-controlled limit. Reactant distributions for slow thermal bimolecular reactions are in dynamic equilibrium, and their distributions are proportional to their relative solubilities in the oil, interfacial, and aqueous regions. Our chemical kinetic method is grounded in thermodynamics and combines a pseudophase model with methods for monitoring the reactions of AOs with a hydrophobic arenediazonium ion probe in opaque emulsions. We introduce (a) the logic and basic assumptions of the pseudophase model used to define the distributions of AOs among the oil, interfacial, and aqueous regions in microemulsions and emulsions and (b) the dye derivatization and linear sweep voltammetry methods for monitoring the rates of reaction in opaque emulsions. Our results show that this approach provides a unique, versatile, and robust method for obtaining quantitative estimates of AO partition coefficients or partition constants and distributions and interfacial rate constants in emulsions. The examples provided illustrate the effects of various emulsion properties on AO distributions such as oil hydrophobicity, emulsifier structure and HLB, temperature, droplet size, surfactant charge, and acidity on reactant distributions. Finally, we show that the chemical kinetic method provides a natural explanation for the cut-off effect, a maximum followed by a sharp reduction in AO efficiency with

  14. Modelling Geomechanical Heterogeneity of Rock Masses Using Direct and Indirect Geostatistical Conditional Simulation Methods

    Science.gov (United States)

    Eivazy, Hesameddin; Esmaieli, Kamran; Jean, Raynald

    2017-12-01

    An accurate characterization and modelling of rock mass geomechanical heterogeneity can lead to more efficient mine planning and design. Using deterministic approaches and random field methods for modelling rock mass heterogeneity is known to be limited in simulating the spatial variation and spatial pattern of the geomechanical properties. Although the applications of geostatistical techniques have demonstrated improvements in modelling the heterogeneity of geomechanical properties, geostatistical estimation methods such as Kriging result in estimates of geomechanical variables that are not fully representative of field observations. This paper reports on the development of 3D models for spatial variability of rock mass geomechanical properties using geostatistical conditional simulation method based on sequential Gaussian simulation. A methodology to simulate the heterogeneity of rock mass quality based on the rock mass rating is proposed and applied to a large open-pit mine in Canada. Using geomechanical core logging data collected from the mine site, a direct and an indirect approach were used to model the spatial variability of rock mass quality. The results of the two modelling approaches were validated against collected field data. The study aims to quantify the risks of pit slope failure and provides a measure of uncertainties in spatial variability of rock mass properties in different areas of the pit.

  15. Response Mixture Modeling: Accounting for Heterogeneity in Item Characteristics across Response Times.

    Science.gov (United States)

    Molenaar, Dylan; de Boeck, Paul

    2018-06-01

    In item response theory modeling of responses and response times, it is commonly assumed that the item responses have the same characteristics across the response times. However, heterogeneity might arise in the data if subjects resort to different response processes when solving the test items. These differences may be within-subject effects, that is, a subject might use a certain process on some of the items and a different process with different item characteristics on the other items. If the probability of using one process over the other process depends on the subject's response time, within-subject heterogeneity of the item characteristics across the response times arises. In this paper, the method of response mixture modeling is presented to account for such heterogeneity. Contrary to traditional mixture modeling where the full response vectors are classified, response mixture modeling involves classification of the individual elements in the response vector. In a simulation study, the response mixture model is shown to be viable in terms of parameter recovery. In addition, the response mixture model is applied to a real dataset to illustrate its use in investigating within-subject heterogeneity in the item characteristics across response times.

  16. Mesoscopic model of temporal and spatial heterogeneity in aging colloids

    DEFF Research Database (Denmark)

    Becker, Nikolaj; Sibani, Paolo; Boettcher, Stefan

    2014-01-01

    We develop a simple and effective description of the dynamics of dense hard sphere colloids in the aging regime deep in the glassy phase. Our description complements the many efforts to understand the onset of jamming in low density colloids, whose dynamics is still time-homogeneous. Based...... scattering function and particle mean-square displacements for jammed colloidal systems, and we predict a growth for the peak of the χ4 mobility correlation function that is logarithmic in waiting-time. At the same time, our model suggests a novel unified description for the irreversible aging dynamics...

  17. Mouse genetic model for clinical and immunological heterogeneity of leishmaniasis

    Czech Academy of Sciences Publication Activity Database

    Lipoldová, Marie; Svobodová, M.; Havelková, Helena; Krulová, Magdalena; Badalová, Jana; Nohýnková, E.; Hart, A. A. M.; Schlegel, David; Volf, P.; Demant, P.

    2002-01-01

    Roč. 54, č. 3 (2002), s. 174-183 ISSN 0093-7711 R&D Projects: GA MZd NM28; GA ČR GA310/00/0760; GA MŠk OK 394 Grant - others:Howard Hughes Medical Institute(US) HHMI55000323; WHO(XX) TDR I.D. 970772; EC(XE) ERBI-C15-CT98-0317; EC(XE) BIO-4-CT98-0445 Institutional research plan: CEZ:AV0Z5052915 Keywords : Leishmaniasis * mouse model * complex disease Subject RIV: EC - Immunology Impact factor: 2.475, year: 2002

  18. Can animal models contribute to understanding tinnitus heterogeneity in humans?

    Directory of Open Access Journals (Sweden)

    Jos J Eggermont

    2016-11-01

    Full Text Available The brain activity of humans with tinnitus of various etiologies is typically studied with EEG/MEG and fMRI-based imaging techniques. Consequently, they measure population responses and mostly from the neocortex. The latter also underlies changes in neural networks that may be attributed to tinnitus. However, factors not strictly related to tinnitus such as hearing loss and hyperacusis, as well as other co-occurring disorders play a prominent role in these changes. Different types of tinnitus can often not be resolved with these brain-imaging techniques. In animal models of putative behavioral signs of tinnitus, neural activity ranging from auditory nerve to auditory cortex, is studied largely by single unit recordings, augmented by local field potentials (LFPs, and the neural correlates of tinnitus are mainly based on spontaneous neural activity, such as spontaneous firing rates (SFR and pair-wise spontaneous spike-firing correlations. Neural correlates of hyperacusis rely on measurement of stimulus-evoked activity and are measured as increased driven firing rates and LFP amplitudes. Connectivity studies would rely on correlated neural activity between pairs of neurons or LFP amplitudes, but are only recently explored. In animal models of tinnitus only two etiologies are extensively studied; tinnitus evoked by salicylate application and by noise exposure. It appears that they have quite different neural biomarkers. The unanswered question then is: does this different etiology also result in different tinnitus?

  19. Modeling Transport of Cesium in Grimsel Granodiorite With Micrometer Scale Heterogeneities and Dynamic Update of Kd

    Science.gov (United States)

    Voutilainen, Mikko; Kekäläinen, Pekka; Siitari-Kauppi, Marja; Sardini, Paul; Muuri, Eveliina; Timonen, Jussi; Martin, Andrew

    2017-11-01

    Transport and retardation of cesium in Grimsel granodiorite taking into account heterogeneity of mineral and pore structure was studied using rock samples overcored from an in situ diffusion test at the Grimsel Test Site. The field test was part of the Long-Term Diffusion (LTD) project designed to characterize retardation properties (diffusion and distribution coefficients) under in situ conditions. Results of the LTD experiment for cesium showed that in-diffusion profiles and spatial concentration distributions were strongly influenced by the heterogeneous pore structure and mineral distribution. In order to study the effect of heterogeneity on the in-diffusion profile and spatial concentration distribution, a Time Domain Random Walk (TDRW) method was applied along with a feature for modeling chemical sorption in geological materials. A heterogeneous mineral structure of Grimsel granodiorite was constructed using X-ray microcomputed tomography (X-μCT) and the map was linked to previous results for mineral specific porosities and distribution coefficients (Kd) that were determined using C-14-PMMA autoradiography and batch sorption experiments, respectively. After this the heterogeneous structure contains information on local porosity and Kd in 3-D. It was found that the heterogeneity of the mineral structure on the micrometer scale affects significantly the diffusion and sorption of cesium in Grimsel granodiorite at the centimeter scale. Furthermore, the modeled in-diffusion profiles and spatial concentration distributions show similar shape and pattern to those from the LTD experiment. It was concluded that the use of detailed structure characterization and quantitative data on heterogeneity can significantly improve the interpretation and evaluation of transport experiments.

  20. Heterogeneous ion-exchange polyethylene-based membranes with sulfonated poly(1,4-phenylene sulfide) particles

    Czech Academy of Sciences Publication Activity Database

    Schauer, Jan; Brožová, Libuše; Pientka, Zbyněk; Bouzek, K.

    2006-01-01

    Roč. 200, 1-3 (2006), s. 632-633 ISSN 0011-9164. [Conference Euromembrane. Giardini Naxos - Taormina, 24.09.2006-28.09.2006] R&D Projects: GA ČR GA203/05/0080 Institutional research plan: CEZ:AV0Z40500505 Keywords : ion-exchange membrane * poly(phenylene sulfide) * fuel cell Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.917, year: 2006

  1. Analysis of heterogeneity and epistasis in physiological mixed populations by combined structural equation modelling and latent class analysis

    DEFF Research Database (Denmark)

    Fenger, Mogens; Linneberg, A.; Werge, Thomas Mears

    2008-01-01

    and genetic variations of such networks. METHODS: In this study on type 2 diabetes mellitus, heterogeneity was resolved in a latent class framework combined with structural equation modelling using phenotypic indicators of distinct physiological processes. We modelled the clinical condition "the metabolic......BACKGROUND: Biological systems are interacting, molecular networks in which genetic variation contributes to phenotypic heterogeneity. This heterogeneity is traditionally modelled as a dichotomous trait (e.g. affected vs. non-affected). This is far too simplistic considering the complexity...

  2. [Computer modeling the hydrostatic pressure characteristics of the membrane potential for polymeric membrane, separated non-homogeneous electrolyte solutions].

    Science.gov (United States)

    Slezak, Izabella H; Jasik-Slezak, Jolanta; Rogal, Mirosława; Slezak, Andrzej

    2006-01-01

    On the basis of model equation depending the membrane potential deltapsis, on mechanical pressure difference (deltaP), concentration polarization coefficient (zetas), concentration Rayleigh number (RC) and ratio concentration of solutions separated by membrane (Ch/Cl), the characteristics deltapsis = f(deltaP)zetas,RC,Ch/Cl for steady values of zetas, RC and Ch/Cl in single-membrane system were calculated. In this system neutral and isotropic polymeric membrane oriented in horizontal plane, the non-homogeneous binary electrolytic solutions of various concentrations were separated. Nonhomogeneity of solutions is results from creations of the concentration boundary layers on both sides of the membrane. Calculations were made for the case where on a one side of the membrane aqueous solution of NaCl at steady concentration 10(-3) mol x l(-1) (Cl) was placed and on the other aqueous solutions of NaCl at concentrations from 10(-3) mol x l(-1) to 2 x 10(-2) mol x l(-1) (Ch). Their densities were greater than NaCl solution's at 10(-3) mol x l(-1). It was shown that membrane potential depends on hydrodynamic state of a complex concentration boundary layer-membrane-concentration boundary layer, what is controlled by deltaP, Ch/Cl, RC and zetas.

  3. Bias and Uncertainty in Regression-Calibrated Models of Groundwater Flow in Heterogeneous Media

    DEFF Research Database (Denmark)

    Cooley, R.L.; Christensen, Steen

    2006-01-01

    by a lumped or smoothed m-dimensional approximation γθ*, where γ is an interpolation matrix and θ* is a stochastic vector of parameters. Vector θ* has small enough dimension to allow its estimation with the available data. The consequence of the replacement is that model function f(γθ*) written in terms......Groundwater models need to account for detailed but generally unknown spatial variability (heterogeneity) of the hydrogeologic model inputs. To address this problem we replace the large, m-dimensional stochastic vector β that reflects both small and large scales of heterogeneity in the inputs...... small. Model error is accounted for in the weighted nonlinear regression methodology developed to estimate θ* and assess model uncertainties by incorporating the second-moment matrix of the model errors into the weight matrix. Techniques developed by statisticians to analyze classical nonlinear...

  4. A computationally efficient description of heterogeneous freezing: A simplified version of the Soccer ball model

    Science.gov (United States)

    Niedermeier, Dennis; Ervens, Barbara; Clauss, Tina; Voigtländer, Jens; Wex, Heike; Hartmann, Susan; Stratmann, Frank

    2014-01-01

    In a recent study, the Soccer ball model (SBM) was introduced for modeling and/or parameterizing heterogeneous ice nucleation processes. The model applies classical nucleation theory. It allows for a consistent description of both apparently singular and stochastic ice nucleation behavior, by distributing contact angles over the nucleation sites of a particle population assuming a Gaussian probability density function. The original SBM utilizes the Monte Carlo technique, which hampers its usage in atmospheric models, as fairly time-consuming calculations must be performed to obtain statistically significant results. Thus, we have developed a simplified and computationally more efficient version of the SBM. We successfully used the new SBM to parameterize experimental nucleation data of, e.g., bacterial ice nucleation. Both SBMs give identical results; however, the new model is computationally less expensive as confirmed by cloud parcel simulations. Therefore, it is a suitable tool for describing heterogeneous ice nucleation processes in atmospheric models.

  5. Dynamic modeling of porous heterogeneous micro/nanobeams

    Science.gov (United States)

    Ebrahimi, Farzad; Jafari, Ali; Reza Barati, Mohammad

    2017-12-01

    In the present paper, the thermo-mechanical vibration characteristics of a functionally graded (FG) porous microbeam subjected to various types of thermal loadings are investigated based on modified couple stress theory and exact position of neutral axis. The FG micro/nanobeam is modeled via a refined hyperbolic beam theory in which the shear deformation effect is verified without the shear correction factor. A modified power-law distribution which contains porosity volume fraction is used to describe the graded material properties of the FG micro/nanobeam. The temperature field has uniform, linear and nonlinear distributions across the thickness. The governing equations and the related boundary conditions are derived by Hamilton's principle and they are solved applying an analytical solution which satisfies various boundary conditions. A comparison study is performed to verify the present formulation with the known data in the literature and a good agreement is observed. The parametric study covered in this paper includes several parameters, such as thermal loadings, porosity volume fraction, power-law exponents, slenderness ratio, scale parameter and various boundary conditions on natural frequencies of porous FG micro/nanobeams in detail.

  6. Estimation of heterogeneity in malaria transmission by stochastic modelling of apparent deviations from mass action kinetics

    Directory of Open Access Journals (Sweden)

    Smith Thomas A

    2008-01-01

    Full Text Available Abstract Background Quantifying heterogeneity in malaria transmission is a prerequisite for accurate predictive mathematical models, but the variance in field measurements of exposure overestimates true micro-heterogeneity because it is inflated to an uncertain extent by sampling variation. Descriptions of field data also suggest that the rate of Plasmodium falciparum infection is not proportional to the intensity of challenge by infectious vectors. This appears to violate the principle of mass action that is implied by malaria biology. Micro-heterogeneity may be the reason for this anomaly. It is proposed that the level of micro-heterogeneity can be estimated from statistical models that estimate the amount of variation in transmission most compatible with a mass-action model for the relationship of infection to exposure. Methods The relationship between the entomological inoculation rate (EIR for falciparum malaria and infection risk was reanalysed using published data for cohorts of children in Saradidi (western Kenya. Infection risk was treated as binomially distributed, and measurement-error (Poisson and negative binomial models were considered for the EIR. Models were fitted using Bayesian Markov chain Monte Carlo algorithms and model fit compared for models that assume either mass-action kinetics, facilitation, competition or saturation of the infection process with increasing EIR. Results The proportion of inocula that resulted in infection in Saradidi was inversely related to the measured intensity of challenge. Models of facilitation showed, therefore, a poor fit to the data. When sampling error in the EIR was neglected, either competition or saturation needed to be incorporated in the model in order to give a good fit. Negative binomial models for the error in exposure could achieve a comparable fit while incorporating the more parsimonious and biologically plausible mass action assumption. Models that assume negative binomial micro-heterogeneity

  7. A continuous time random walk model for Darcy-scale anomalous transport in heterogeneous porous media.

    Science.gov (United States)

    Comolli, Alessandro; Hakoun, Vivien; Dentz, Marco

    2017-04-01

    Achieving the understanding of the process of solute transport in heterogeneous porous media is of crucial importance for several environmental and social purposes, ranging from aquifers contamination and remediation, to risk assessment in nuclear waste repositories. The complexity of this aim is mainly ascribable to the heterogeneity of natural media, which can be observed at all the scales of interest, from pore scale to catchment scale. In fact, the intrinsic heterogeneity of porous media is responsible for the arising of the well-known non-Fickian footprints of transport, including heavy-tailed breakthrough curves, non-Gaussian spatial density profiles and the non-linear growth of the mean squared displacement. Several studies investigated the processes through which heterogeneity impacts the transport properties, which include local modifications to the advective-dispersive motion of solutes, mass exchanges between some mobile and immobile phases (e.g. sorption/desorption reactions or diffusion into solid matrix) and spatial correlation of the flow field. In the last decades, the continuous time random walk (CTRW) model has often been used to describe solute transport in heterogenous conditions and to quantify the impact of point heterogeneity, spatial correlation and mass transfer on the average transport properties [1]. Open issues regarding this approach are the possibility to relate measurable properties of the medium to the parameters of the model, as well as its capability to provide predictive information. In a recent work [2] the authors have shed new light on understanding the relationship between Lagrangian and Eulerian dynamics as well as on their evolution from arbitrary initial conditions. On the basis of these results, we derive a CTRW model for the description of Darcy-scale transport in d-dimensional media characterized by spatially random permeability fields. The CTRW approach models particle velocities as a spatial Markov process, which is

  8. Atomic structure of graphene supported heterogeneous model catalysts

    International Nuclear Information System (INIS)

    Franz, Dirk

    2017-04-01

    Graphene on Ir(111) forms a moire structure with well defined nucleation centres. Therefore it can be utilized to create hexagonal metal cluster lattices with outstanding structural quality. At diffraction experiments these 2D surface lattices cause a coherent superposition of the moire cell structure factor, so that the measured signal intensity scales with the square of coherently scattering unit cells. This artificial signal enhancement enables the opportunity for X-ray diffraction to determine the atomic structure of small nano-objects, which are hardly accessible with any experimental technique. The uniform environment of every metal cluster makes the described metal cluster lattices on graphene/Ir(111) an attractive model system for the investigation of catalytic, magnetic and quantum size properties of ultra-small nano-objects. In this context the use of x-rays provides a maximum of flexibility concerning the possible sample environments (vacuum, selected gases, liquids, sample temperature) and allows in-situ/operando measurements. In the framework of the present thesis the structure of different metal clusters grown by physical vapor deposition in an UHV environment and after gas exposure have been investigated. On the one hand the obtained results will explore many aspects of the atomic structure of these small metal clusters and on the other hand the presented results will proof the capabilities of the described technique (SXRD on cluster lattices). For iridium, platinum, iridium/palladium and platinum/rhodium the growth on graphene/Ir(111) of epitaxial, crystalline clusters with an ordered hexagonal lattice arrangement has been confirmed using SXRD. The clusters nucleate at the hcp sites of the moire cell and bind via rehybridization of the carbon atoms (sp"2 → sp"3) to the Ir(111) substrate. This causes small displacements of the substrate atoms, which is revealed by the diffraction experiments. All metal clusters exhibit a fcc structure, whereupon

  9. Heterogeneous beliefs and routes to complex dynamics in asset pricing models with price contingent contracts

    NARCIS (Netherlands)

    Brock, W.A.; Hommes, C.H.

    2001-01-01

    This paper discusses dynamic evolutionary multi-agent systems, as introduced by Brock and Hommes (1997). In particular the heterogeneous agent dynamic asset pricing model of Brock and Hommes (1998) is extended by introducing derivative securities by means of price contingent contracts. Numerical

  10. Federated Access Control in Heterogeneous Intercloud Environment: Basic Models and Architecture Patterns

    NARCIS (Netherlands)

    Demchenko, Y.; Ngo, C.; de Laat, C.; Lee, C.

    2014-01-01

    This paper presents on-going research to define the basic models and architecture patterns for federated access control in heterogeneous (multi-provider) multi-cloud and inter-cloud environment. The proposed research contributes to the further definition of Intercloud Federation Framework (ICFF)

  11. Preference heterogeneity in a count data model of demand for off-highway vehicle recreation

    Science.gov (United States)

    Thomas P Holmes; Jeffrey E Englin

    2010-01-01

    This paper examines heterogeneity in the preferences for OHV recreation by applying the random parameters Poisson model to a data set of off-highway vehicle (OHV) users at four National Forest sites in North Carolina. The analysis develops estimates of individual consumer surplus and finds that estimates are systematically affected by the random parameter specification...

  12. An artificial compressibility CBS method for modelling heat transfer and fluid flow in heterogeneous porous materials

    CSIR Research Space (South Africa)

    Malan, AG

    2011-08-01

    Full Text Available to modelling both forced convection as well as heat transfer and fluid flow through heterogeneous saturated porous materials via an edge-based finite volume discretization scheme. A volume-averaged set of local thermal disequilibrium governing equations...

  13. Boundedly rational learning and heterogeneous trading strategies with hybrid neuro-fuzzy models

    NARCIS (Netherlands)

    Bekiros, S.D.

    2009-01-01

    The present study deals with heterogeneous learning rules in speculative markets where heuristic strategies reflect the rules-of-thumb of boundedly rational investors. The major challenge for "chartists" is the development of new models that would enhance forecasting ability particularly for time

  14. Modelling complex systems of heterogeneous agents to better design sustainability transitions policy

    NARCIS (Netherlands)

    Mercure, J.F.A.; Pollitt, H.; Bassi, A.M.; Viñuales, J.E.; Edwards, N.R.

    2016-01-01

    This article proposes a fundamental methodological shift in the modelling of policy interventions for sustainability transitions in order to account for complexity (e.g. self-reinforcing mechanisms, such as technology lock-ins, arising from multi-agent interactions) and agent heterogeneity (e.g.

  15. Modelling and monitoring of Aquifer Thermal Energy Storage : impacts of soil heterogeneity, thermal interference and bioremediation

    NARCIS (Netherlands)

    Sommer, W.T.

    2015-01-01

    Modelling and monitoring of Aquifer Thermal Energy Storage

    Impacts of heterogeneity, thermal interference and bioremediation

    Wijbrand Sommer
    PhD thesis, Wageningen University, Wageningen, NL (2015)
    ISBN 978-94-6257-294-2

    Abstract

    Aquifer

  16. Effects of Heterogeneity in Residential Preferences on an Agent-Based Model of Urban Sprawl

    Directory of Open Access Journals (Sweden)

    Daniel G. Brown

    2006-06-01

    Full Text Available The ability of agent-based models (ABMs to represent heterogeneity in the characteristics and behaviors of actors enables analyses about the implications of this heterogeneity for system behavior. The importance of heterogeneity in the specification of ABMs, however, creates new demands for empirical support. An earlier analysis of a survey of residential preferences within southeastern Michigan revealed seven groups of residents with similar preferences on similar characteristics of location. In this paper, we present an ABM that represents the process of residential development within an urban system and run it for a hypothetical pattern of environmental variation. Residential locations are selected by residential agents, who evaluate locations on the basis of preference for nearness to urban services, including jobs, aesthetic quality of the landscape, and their similarity to their neighbors. We populate our ABM with a population of residential preferences drawn from the survey results in five different ways: (1 preferences drawn at random; (2 equal preferences based on the mean from the entire survey sample; (3 preferences drawn from a single distribution, whose mean and standard deviation are derived from the survey sample; (4 equal preferences within each of seven groups, based on the group means; and (5 preferences drawn from distributions for each of seven groups, defined by group means and standard deviations. Model sensitivity analysis, based on multiple runs of our model under each case, revealed that adding heterogeneity to agents has a significant effect on model outcomes, measured by aggregate patterns of development sprawl and clustering.

  17. Field scale heterogeneity of redox conditions in till-upscaling to a catchment nitrate model

    DEFF Research Database (Denmark)

    Hansen, J.R.; Erntsen, V.; Refsgaard, J.C.

    2008-01-01

    Point scale studies in different settings of glacial geology show a large local variation of redox conditions. There is a need to develop an upscaling methodology for catchment scale models. This paper describes a study of field-scale heterogeneity of redox-interfaces in a till aquitard within an...

  18. Atomic structure of graphene supported heterogeneous model catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Franz, Dirk

    2017-04-15

    Graphene on Ir(111) forms a moire structure with well defined nucleation centres. Therefore it can be utilized to create hexagonal metal cluster lattices with outstanding structural quality. At diffraction experiments these 2D surface lattices cause a coherent superposition of the moire cell structure factor, so that the measured signal intensity scales with the square of coherently scattering unit cells. This artificial signal enhancement enables the opportunity for X-ray diffraction to determine the atomic structure of small nano-objects, which are hardly accessible with any experimental technique. The uniform environment of every metal cluster makes the described metal cluster lattices on graphene/Ir(111) an attractive model system for the investigation of catalytic, magnetic and quantum size properties of ultra-small nano-objects. In this context the use of x-rays provides a maximum of flexibility concerning the possible sample environments (vacuum, selected gases, liquids, sample temperature) and allows in-situ/operando measurements. In the framework of the present thesis the structure of different metal clusters grown by physical vapor deposition in an UHV environment and after gas exposure have been investigated. On the one hand the obtained results will explore many aspects of the atomic structure of these small metal clusters and on the other hand the presented results will proof the capabilities of the described technique (SXRD on cluster lattices). For iridium, platinum, iridium/palladium and platinum/rhodium the growth on graphene/Ir(111) of epitaxial, crystalline clusters with an ordered hexagonal lattice arrangement has been confirmed using SXRD. The clusters nucleate at the hcp sites of the moire cell and bind via rehybridization of the carbon atoms (sp{sup 2} → sp{sup 3}) to the Ir(111) substrate. This causes small displacements of the substrate atoms, which is revealed by the diffraction experiments. All metal clusters exhibit a fcc structure

  19. Entropy of measurement and erasure: Szilard's membrane model revisited

    Science.gov (United States)

    Leff, Harvey S.; Rex, Andrew F.

    1994-11-01

    It is widely believed that measurement is accompanied by irreversible entropy increase. This conventional wisdom is based in part on Szilard's 1929 study of entropy decrease in a thermodynamic system by intelligent intervention (i.e., a Maxwell's demon) and Brillouin's association of entropy with information. Bennett subsequently argued that information acquisition is not necessarily irreversible, but information erasure must be dissipative (Landauer's principle). Inspired by the ensuing debate, we revisit the membrane model introduced by Szilard and find that it can illustrate and clarify (1) reversible measurement, (2) information storage, (3) decoupling of the memory from the system being measured, and (4) entropy increase associated with memory erasure and resetting.

  20. Zebrafish as a model to assess cancer heterogeneity, progression and relapse

    Science.gov (United States)

    Blackburn, Jessica S.; Langenau, David M.

    2014-01-01

    Clonal evolution is the process by which genetic and epigenetic diversity is created within malignant tumor cells. This process culminates in a heterogeneous tumor, consisting of multiple subpopulations of cancer cells that often do not contain the same underlying mutations. Continuous selective pressure permits outgrowth of clones that harbor lesions that are capable of enhancing disease progression, including those that contribute to therapy resistance, metastasis and relapse. Clonal evolution and the resulting intratumoral heterogeneity pose a substantial challenge to biomarker identification, personalized cancer therapies and the discovery of underlying driver mutations in cancer. The purpose of this Review is to highlight the unique strengths of zebrafish cancer models in assessing the roles that intratumoral heterogeneity and clonal evolution play in cancer, including transgenesis, imaging technologies, high-throughput cell transplantation approaches and in vivo single-cell functional assays. PMID:24973745

  1. CQPSO scheduling algorithm for heterogeneous multi-core DAG task model

    Science.gov (United States)

    Zhai, Wenzheng; Hu, Yue-Li; Ran, Feng

    2017-07-01

    Efficient task scheduling is critical to achieve high performance in a heterogeneous multi-core computing environment. The paper focuses on the heterogeneous multi-core directed acyclic graph (DAG) task model and proposes a novel task scheduling method based on an improved chaotic quantum-behaved particle swarm optimization (CQPSO) algorithm. A task priority scheduling list was built. A processor with minimum cumulative earliest finish time (EFT) was acted as the object of the first task assignment. The task precedence relationships were satisfied and the total execution time of all tasks was minimized. The experimental results show that the proposed algorithm has the advantage of optimization abilities, simple and feasible, fast convergence, and can be applied to the task scheduling optimization for other heterogeneous and distributed environment.

  2. DEVELOPING VERIFICATION SYSTEMS FOR BUILDING INFORMATION MODELS OF HERITAGE BUILDINGS WITH HETEROGENEOUS DATASETS

    Directory of Open Access Journals (Sweden)

    L. Chow

    2017-08-01

    Full Text Available The digitization and abstraction of existing buildings into building information models requires the translation of heterogeneous datasets that may include CAD, technical reports, historic texts, archival drawings, terrestrial laser scanning, and photogrammetry into model elements. In this paper, we discuss a project undertaken by the Carleton Immersive Media Studio (CIMS that explored the synthesis of heterogeneous datasets for the development of a building information model (BIM for one of Canada’s most significant heritage assets – the Centre Block of the Parliament Hill National Historic Site. The scope of the project included the development of an as-found model of the century-old, six-story building in anticipation of specific model uses for an extensive rehabilitation program. The as-found Centre Block model was developed in Revit using primarily point cloud data from terrestrial laser scanning. The data was captured by CIMS in partnership with Heritage Conservation Services (HCS, Public Services and Procurement Canada (PSPC, using a Leica C10 and P40 (exterior and large interior spaces and a Faro Focus (small to mid-sized interior spaces. Secondary sources such as archival drawings, photographs, and technical reports were referenced in cases where point cloud data was not available. As a result of working with heterogeneous data sets, a verification system was introduced in order to communicate to model users/viewers the source of information for each building element within the model.

  3. Developing Verification Systems for Building Information Models of Heritage Buildings with Heterogeneous Datasets

    Science.gov (United States)

    Chow, L.; Fai, S.

    2017-08-01

    The digitization and abstraction of existing buildings into building information models requires the translation of heterogeneous datasets that may include CAD, technical reports, historic texts, archival drawings, terrestrial laser scanning, and photogrammetry into model elements. In this paper, we discuss a project undertaken by the Carleton Immersive Media Studio (CIMS) that explored the synthesis of heterogeneous datasets for the development of a building information model (BIM) for one of Canada's most significant heritage assets - the Centre Block of the Parliament Hill National Historic Site. The scope of the project included the development of an as-found model of the century-old, six-story building in anticipation of specific model uses for an extensive rehabilitation program. The as-found Centre Block model was developed in Revit using primarily point cloud data from terrestrial laser scanning. The data was captured by CIMS in partnership with Heritage Conservation Services (HCS), Public Services and Procurement Canada (PSPC), using a Leica C10 and P40 (exterior and large interior spaces) and a Faro Focus (small to mid-sized interior spaces). Secondary sources such as archival drawings, photographs, and technical reports were referenced in cases where point cloud data was not available. As a result of working with heterogeneous data sets, a verification system was introduced in order to communicate to model users/viewers the source of information for each building element within the model.

  4. Assessment of Genetic Heterogeneity in Structured Plant Populations Using Multivariate Whole-Genome Regression Models.

    Science.gov (United States)

    Lehermeier, Christina; Schön, Chris-Carolin; de Los Campos, Gustavo

    2015-09-01

    Plant breeding populations exhibit varying levels of structure and admixture; these features are likely to induce heterogeneity of marker effects across subpopulations. Traditionally, structure has been dealt with as a potential confounder, and various methods exist to "correct" for population stratification. However, these methods induce a mean correction that does not account for heterogeneity of marker effects. The animal breeding literature offers a few recent studies that consider modeling genetic heterogeneity in multibreed data, using multivariate models. However, these methods have received little attention in plant breeding where population structure can have different forms. In this article we address the problem of analyzing data from heterogeneous plant breeding populations, using three approaches: (a) a model that ignores population structure [A-genome-based best linear unbiased prediction (A-GBLUP)], (b) a stratified (i.e., within-group) analysis (W-GBLUP), and (c) a multivariate approach that uses multigroup data and accounts for heterogeneity (MG-GBLUP). The performance of the three models was assessed on three different data sets: a diversity panel of rice (Oryza sativa), a maize (Zea mays L.) half-sib panel, and a wheat (Triticum aestivum L.) data set that originated from plant breeding programs. The estimated genomic correlations between subpopulations varied from null to moderate, depending on the genetic distance between subpopulations and traits. Our assessment of prediction accuracy features cases where ignoring population structure leads to a parsimonious more powerful model as well as others where the multivariate and stratified approaches have higher predictive power. In general, the multivariate approach appeared slightly more robust than either the A- or the W-GBLUP. Copyright © 2015 by the Genetics Society of America.

  5. Field verification of advanced transport models of radionuclides in heterogeneous soils

    International Nuclear Information System (INIS)

    Visser, W.; Meurs, G.A.M.; Weststrate, F.A.

    1991-01-01

    This report deals with a verification study of advanced transport models of radionuclides in heterogeneous soils. The study reported here is the third phase of a research program carried out by Delft Geotechnics concerning the influence of soil heterogeneities on the migration of radionuclides in the soil and soil-water system. Phases 1 and 2 have been reported earlier in the EC Nuclear Science and technology series (EUR 12111 EN, 1989). The verification study involves the predictive modelling of a field tracer experiment carried out by the British Geological Survey (BGS) at Drigg, Cumbria (UK). Conservative (I 131 , Cl-, H 3 ) as well as non-conservative (Co-EDTA) tracers were used. The inverse modelling shows that micro dispersion may be considered as a soil constant related to grainsize. Micro dispersion shows a slow increase with distance from the source. This increase is caused by mass transfer between adjacent layers of different permeability. Macro dispersion is observed when sampling over a larger interval then permitted by the detail with which the heterogeneity is described in the model. The prediction of the migration of radionuclides through heterogeneous soils is possible. The advection dispersion equation seems to be an adequate description of the migration of conservative tracers. The models based on this equation give comparable results on a small field test scale (3.5 m). The prediction of the migration of adsorbing species is more difficult. The mathematical descriptions seem appropriate, but the heterogeneity in soils seems to create a higher order of uncertainty which can not be described as yet with calculation strategies available at this moment

  6. Probing lipid membrane electrostatics

    Science.gov (United States)

    Yang, Yi

    The electrostatic properties of lipid bilayer membranes play a significant role in many biological processes. Atomic force microscopy (AFM) is highly sensitive to membrane surface potential in electrolyte solutions. With fully characterized probe tips, AFM can perform quantitative electrostatic analysis of lipid membranes. Electrostatic interactions between Silicon nitride probes and supported zwitterionic dioleoylphosphatidylcholine (DOPC) bilayer with a variable fraction of anionic dioleoylphosphatidylserine (DOPS) were measured by AFM. Classical Gouy-Chapman theory was used to model the membrane electrostatics. The nonlinear Poisson-Boltzmann equation was numerically solved with finite element method to provide the potential distribution around the AFM tips. Theoretical tip-sample electrostatic interactions were calculated with the surface integral of both Maxwell and osmotic stress tensors on tip surface. The measured forces were interpreted with theoretical forces and the resulting surface charge densities of the membrane surfaces were in quantitative agreement with the Gouy-Chapman-Stern model of membrane charge regulation. It was demonstrated that the AFM can quantitatively detect membrane surface potential at a separation of several screening lengths, and that the AFM probe only perturbs the membrane surface potential by external field created by the internai membrane dipole moment. The analysis yields a dipole moment of 1.5 Debye per lipid with a dipole potential of +275 mV for supported DOPC membranes. This new ability to quantitatively measure the membrane dipole density in a noninvasive manner will be useful in identifying the biological effects of the dipole potential. Finally, heterogeneous model membranes were studied with fluid electric force microscopy (FEFM). Electrostatic mapping was demonstrated with 50 nm resolution. The capabilities of quantitative electrostatic measurement and lateral charge density mapping make AFM a unique and powerful

  7. An extended heterogeneous car-following model accounting for anticipation driving behavior and mixed maximum speeds

    Science.gov (United States)

    Sun, Fengxin; Wang, Jufeng; Cheng, Rongjun; Ge, Hongxia

    2018-02-01

    The optimal driving speeds of the different vehicles may be different for the same headway. In the optimal velocity function of the optimal velocity (OV) model, the maximum speed vmax is an important parameter determining the optimal driving speed. A vehicle with higher maximum speed is more willing to drive faster than that with lower maximum speed in similar situation. By incorporating the anticipation driving behavior of relative velocity and mixed maximum speeds of different percentages into optimal velocity function, an extended heterogeneous car-following model is presented in this paper. The analytical linear stable condition for this extended heterogeneous traffic model is obtained by using linear stability theory. Numerical simulations are carried out to explore the complex phenomenon resulted from the cooperation between anticipation driving behavior and heterogeneous maximum speeds in the optimal velocity function. The analytical and numerical results all demonstrate that strengthening driver's anticipation effect can improve the stability of heterogeneous traffic flow, and increasing the lowest value in the mixed maximum speeds will result in more instability, but increasing the value or proportion of the part already having higher maximum speed will cause different stabilities at high or low traffic densities.

  8. Lipid packing drives the segregation of transmembrane helices into disordered lipid domains in model membranes

    NARCIS (Netherlands)

    Schaefer, Lars V.; de Jong, Djurre H.; Holt, Andrea; Rzepiela, Andrzej J.; de Vries, Alex H.; Poolman, Bert; Killian, J. Antoinette; Marrink, Siewert J.

    2011-01-01

    Cell membranes are comprised of multicomponent lipid and protein mixtures that exhibit a complex partitioning behavior. Regions of structural and compositional heterogeneity play a major role in the sorting and self-assembly of proteins, and their clustering into higher-order oligomers. Here, we use

  9. Improving sub-pixel imperviousness change prediction by ensembling heterogeneous non-linear regression models

    Science.gov (United States)

    Drzewiecki, Wojciech

    2016-12-01

    In this work nine non-linear regression models were compared for sub-pixel impervious surface area mapping from Landsat images. The comparison was done in three study areas both for accuracy of imperviousness coverage evaluation in individual points in time and accuracy of imperviousness change assessment. The performance of individual machine learning algorithms (Cubist, Random Forest, stochastic gradient boosting of regression trees, k-nearest neighbors regression, random k-nearest neighbors regression, Multivariate Adaptive Regression Splines, averaged neural networks, and support vector machines with polynomial and radial kernels) was also compared with the performance of heterogeneous model ensembles constructed from the best models trained using particular techniques. The results proved that in case of sub-pixel evaluation the most accurate prediction of change may not necessarily be based on the most accurate individual assessments. When single methods are considered, based on obtained results Cubist algorithm may be advised for Landsat based mapping of imperviousness for single dates. However, Random Forest may be endorsed when the most reliable evaluation of imperviousness change is the primary goal. It gave lower accuracies for individual assessments, but better prediction of change due to more correlated errors of individual predictions. Heterogeneous model ensembles performed for individual time points assessments at least as well as the best individual models. In case of imperviousness change assessment the ensembles always outperformed single model approaches. It means that it is possible to improve the accuracy of sub-pixel imperviousness change assessment using ensembles of heterogeneous non-linear regression models.

  10. Homogenization of a Directed Dispersal Model for Animal Movement in a Heterogeneous Environment.

    Science.gov (United States)

    Yurk, Brian P

    2016-10-01

    The dispersal patterns of animals moving through heterogeneous environments have important ecological and epidemiological consequences. In this work, we apply the method of homogenization to analyze an advection-diffusion (AD) model of directed movement in a one-dimensional environment in which the scale of the heterogeneity is small relative to the spatial scale of interest. We show that the large (slow) scale behavior is described by a constant-coefficient diffusion equation under certain assumptions about the fast-scale advection velocity, and we determine a formula for the slow-scale diffusion coefficient in terms of the fast-scale parameters. We extend the homogenization result to predict invasion speeds for an advection-diffusion-reaction (ADR) model with directed dispersal. For periodic environments, the homogenization approximation of the solution of the AD model compares favorably with numerical simulations. Invasion speed approximations for the ADR model also compare favorably with numerical simulations when the spatial period is sufficiently small.

  11. Development of permeate flux model for municipal wastewater treatment using membrane bioreactor

    International Nuclear Information System (INIS)

    Geissler, S.; Zhou, H.; Zytner, R.; Melin, T.

    2002-01-01

    In municipal wastewater treatment, membrane filtration technologies receive great attention because they usually produce the better quality effluent, generate less sludge and require a smaller aeration tank volume. However, one main challenge of using membranes is membrane fouling, which results in a permeate flux decrease or transmembrane pressure increase over the time. Many efforts have been directed to develop the mechanistic permeate flux model to correlate the permeate flux with process parameters. However, their applicability has been largely thwarted due to complicated membrane fouling mechanisms and the interactions of many factors affecting the membrane bioreactor. This paper proposes a semi-empirical permeate flux model for the membrane bioreactor (MBR) process using ZENON immersed hollow fibre membrane modules. The semi-empirical model was proposed by assuming that the permeate flux is equal to transmembrane pressure divided by total resistance. The total resistance is divided into two components: an inside membrane resistance and an outer fouling layer resistance. These membrane resistances are then related to the ageing of membrane used. Good correlation was found between the predicted and measured flux, with the mean absolute deviation being less than 4%. The observations also identified some general rules for operating membrane systems. Ideally, it is advisable that high pressure periods be avoided as this leads to a faster increase of non-reversal membrane resistance. It was also observed that membrane preservatives should be washed out carefully prior to use. (author)

  12. Heterogeneous studies in pulping of wood: Modelling mass transfer of alkali

    OpenAIRE

    Simão, João P. F.; Egas, Ana P. V.; Carvalho, M. Graça; Baptista, Cristina M. S. G.; Castro, José Almiro A. M.

    2008-01-01

    In this paper a heterogeneous lumped parameter model is proposed to describe the mass transfer of effective alkali during the kraft pulping of wood. This model, based on the spatial mean of the concentration profile of effective alkali along the chip thickness, enables the estimation of the effective diffusion coefficient that characterizes the internal resistance to mass transfer and the contribution of the external resistance to mass transfer which has often been neglected. http://www.sc...

  13. Modeling and validation of directional reflectance for heterogeneous agro-forestry scenarios

    Science.gov (United States)

    Yelu, Z.; Jing, L.; Qinhuo, L.; Huete, A. R.

    2015-12-01

    Landscape heterogeneity is a common natural phenomenon but is seldom considered in current radiative transfer models for predicting the surface reflectance. This paper developed an explicit analytical Radiative Transfer model for heterogeneous Agro-Forestry scenarios (RTAF) by dividing the scenario into non-boundary regions and boundary regions. The scattering contribution of the non-boundary regions that are treated as homogeneous canopies can be estimated from the SAILH model, whereas that of the boundary regions with lengths, widths, canopy heights, and orientations of the field patches, is calculated based on the bidirectional gap probability by considering the interactions and mutual shadowing effects among different patches. The hot spot factor is extended for heterogeneous scenarios, the Hapke model for soil anisotropy is incorporated, and the contributions of the direct and diffuse radiation are separately calculated. The multi-angular airborne observations and the Discrete Anisotropic Radiative Transfer (DART) model simulations were used for validating and evaluating the RTAF model over an agro-forestry scenario in Heihe River Basin, China. It indicates that the RTAF model can accurately simulate the hemispherical-directional reflectance factors (HDRFs) of the heterogeneous agro-forestry scenario, with an RMSE of 0.0016 and 0.0179 in the red and near-infrared (NIR) bands, respectively. The RTAF model was compared with two widely used models, the dominant cover type (DCT) model and the spectral linear mixture (SLM) model, which either neglected the interactions and mutual shadowing effects between the shelterbets and crops, or did not account for the contribution of the shelterbets. Results suggest that the boundary effect can significantly influence the angular distribution of the HDRFs, and consequently enlarged the HDRF variations between the backward and forward directions in the principle plane. The RTAF model reduced the maximum relative error from 25

  14. 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.

  15. Heat stress causes spatially-distinct membrane re-modelling in K562 leukemia cells.

    Directory of Open Access Journals (Sweden)

    Gábor Balogh

    Full Text Available Cellular membranes respond rapidly to various environmental perturbations. Previously we showed that modulations in membrane fluidity achieved by heat stress (HS resulted in pronounced membrane organization alterations which could be intimately linked to the expression and cellular distribution of heat shock proteins. Here we examine heat-induced membrane changes using several visualisation methods. With Laurdan two-photon microscopy we demonstrate that, in contrast to the enhanced formation of ordered domains in surface membranes, the molecular disorder is significantly elevated within the internal membranes of cells preexposed to mild HS. These results were compared with those obtained by anisotropy, fluorescence lifetime and electron paramagnetic resonance measurements. All probes detected membrane changes upon HS. However, the structurally different probes revealed substantially distinct alterations in membrane heterogeneity. These data call attention to the careful interpretation of results obtained with only a single label. Subtle changes in membrane microstructure in the decision-making of thermal cell killing could have potential application in cancer therapy.

  16. Force Sensor Based Tool Condition Monitoring Using a Heterogeneous Ensemble Learning Model

    Directory of Open Access Journals (Sweden)

    Guofeng Wang

    2014-11-01

    Full Text Available Tool condition monitoring (TCM plays an important role in improving machining efficiency and guaranteeing workpiece quality. In order to realize reliable recognition of the tool condition, a robust classifier needs to be constructed to depict the relationship between tool wear states and sensory information. However, because of the complexity of the machining process and the uncertainty of the tool wear evolution, it is hard for a single classifier to fit all the collected samples without sacrificing generalization ability. In this paper, heterogeneous ensemble learning is proposed to realize tool condition monitoring in which the support vector machine (SVM, hidden Markov model (HMM and radius basis function (RBF are selected as base classifiers and a stacking ensemble strategy is further used to reflect the relationship between the outputs of these base classifiers and tool wear states. Based on the heterogeneous ensemble learning classifier, an online monitoring system is constructed in which the harmonic features are extracted from force signals and a minimal redundancy and maximal relevance (mRMR algorithm is utilized to select the most prominent features. To verify the effectiveness of the proposed method, a titanium alloy milling experiment was carried out and samples with different tool wear states were collected to build the proposed heterogeneous ensemble learning classifier. Moreover, the homogeneous ensemble learning model and majority voting strategy are also adopted to make a comparison. The analysis and comparison results show that the proposed heterogeneous ensemble learning classifier performs better in both classification accuracy and stability.

  17. Bounding the heterogeneous gas uptake on aerosols and ground using resistance model

    Science.gov (United States)

    Su, H.; Li, M.; Cheng, Y.

    2017-12-01

    Heterogeneous uptake on aerosols and ground are potential important atmospheric sinks for gases. Different schemes have been used to characterize the dry deposition and heterogeneous aerosol gas uptake, although they share similar characteristics. In this work, we propose a unified resistance model to compare the uptake flux on both ground and aerosols, to identify the dominate heterogeneous process within the planetary boundary layer (PBL). The Gamma(eq) is introduced to represent the reactive uptake coefficient on aerosols when these two processes are equally important. It's shown that Gamma(eq) is proportional to the dry deposition velocity, inversely proportional to aerosol surface area concentration. Under typical regional background condition, Gamma(eq) vary from 1x10-5 to 4x10-4 with gas species, land-use type and season, which indicates that aerosol gas uptake should be included in atmospheric models when uptake coefficient higher than 10-5. We address the importance of heterogeneous gas uptake on aerosols over ground especially for ozone uptake on liquid organic aerosols and for marine PBL atmosphere.

  18. A matrix approach to the statistics of longevity in heterogeneous frailty models

    Directory of Open Access Journals (Sweden)

    Hal Caswell

    2014-09-01

    Full Text Available Background: The gamma-Gompertz model is a fixed frailty model in which baseline mortality increasesexponentially with age, frailty has a proportional effect on mortality, and frailty at birth follows a gamma distribution. Mortality selects against the more frail, so the marginal mortality rate decelerates, eventually reaching an asymptote. The gamma-Gompertz is one of a wider class of frailty models, characterized by the choice of baseline mortality, effects of frailty, distributions of frailty, and assumptions about the dynamics of frailty. Objective: To develop a matrix model to compute all the statistical properties of longevity from thegamma-Gompertz and related models. Methods: I use the vec-permutation matrix formulation to develop a model in which individuals are jointly classified by age and frailty. The matrix is used to project the age and frailty dynamicsof a cohort and the fundamental matrix is used to obtain the statistics of longevity. Results: The model permits calculation of the mean, variance, coefficient of variation, skewness and all moments of longevity, the marginal mortality and survivorship functions, the dynamics of the frailty distribution, and other quantities. The matrix formulation extends naturally to other frailty models. I apply the analysis to the gamma-Gompertz model (for humans and laboratory animals, the gamma-Makeham model, and the gamma-Siler model, and to a hypothetical dynamic frailty model characterized by diffusion of frailty with reflecting boundaries.The matrix model permits partitioning the variance in longevity into components due to heterogeneity and to individual stochasticity. In several published human data sets, heterogeneity accounts for less than 10Š of the variance in longevity. In laboratory populations of five invertebrate animal species, heterogeneity accounts for 46Š to 83Š ofthe total variance in longevity.

  19. Heterotypic mouse models of canine osteosarcoma recapitulate tumor heterogeneity and biological behavior

    Directory of Open Access Journals (Sweden)

    Milcah C. Scott

    2016-12-01

    Full Text Available Osteosarcoma (OS is a heterogeneous and rare disease with a disproportionate impact because it mainly affects children and adolescents. Lamentably, more than half of patients with OS succumb to metastatic disease. Clarification of the etiology of the disease, development of better strategies to manage progression, and methods to guide personalized treatments are among the unmet health needs for OS patients. Progress in managing the disease has been hindered by the extreme heterogeneity of OS; thus, better models that accurately recapitulate the natural heterogeneity of the disease are needed. For this study, we used cell lines derived from two spontaneous canine OS tumors with distinctly different biological behavior (OS-1 and OS-2 for heterotypic in vivo modeling that recapitulates the heterogeneous biology and behavior of this disease. Both cell lines demonstrated stability of the transcriptome when grown as orthotopic xenografts in athymic nude mice. Consistent with the behavior of the original tumors, OS-2 xenografts grew more rapidly at the primary site and had greater propensity to disseminate to lung and establish microscopic metastasis. Moreover, OS-2 promoted formation of a different tumor-associated stromal environment than OS-1 xenografts. OS-2-derived tumors comprised a larger percentage of the xenograft tumors than OS-1-derived tumors. In addition, a robust pro-inflammatory population dominated the stromal cell infiltrates in OS-2 xenografts, whereas a mesenchymal population with a gene signature reflecting myogenic signaling dominated those in the OS-1 xenografts. Our studies show that canine OS cell lines maintain intrinsic features of the tumors from which they were derived and recapitulate the heterogeneous biology and behavior of bone cancer in mouse models. This system provides a resource to understand essential interactions between tumor cells and the stromal environment that drive the progression and metastatic propensity of

  20. Heterotypic mouse models of canine osteosarcoma recapitulate tumor heterogeneity and biological behavior.

    Science.gov (United States)

    Scott, Milcah C; Tomiyasu, Hirotaka; Garbe, John R; Cornax, Ingrid; Amaya, Clarissa; O'Sullivan, M Gerard; Subramanian, Subbaya; Bryan, Brad A; Modiano, Jaime F

    2016-12-01

    Osteosarcoma (OS) is a heterogeneous and rare disease with a disproportionate impact because it mainly affects children and adolescents. Lamentably, more than half of patients with OS succumb to metastatic disease. Clarification of the etiology of the disease, development of better strategies to manage progression, and methods to guide personalized treatments are among the unmet health needs for OS patients. Progress in managing the disease has been hindered by the extreme heterogeneity of OS; thus, better models that accurately recapitulate the natural heterogeneity of the disease are needed. For this study, we used cell lines derived from two spontaneous canine OS tumors with distinctly different biological behavior (OS-1 and OS-2) for heterotypic in vivo modeling that recapitulates the heterogeneous biology and behavior of this disease. Both cell lines demonstrated stability of the transcriptome when grown as orthotopic xenografts in athymic nude mice. Consistent with the behavior of the original tumors, OS-2 xenografts grew more rapidly at the primary site and had greater propensity to disseminate to lung and establish microscopic metastasis. Moreover, OS-2 promoted formation of a different tumor-associated stromal environment than OS-1 xenografts. OS-2-derived tumors comprised a larger percentage of the xenograft tumors than OS-1-derived tumors. In addition, a robust pro-inflammatory population dominated the stromal cell infiltrates in OS-2 xenografts, whereas a mesenchymal population with a gene signature reflecting myogenic signaling dominated those in the OS-1 xenografts. Our studies show that canine OS cell lines maintain intrinsic features of the tumors from which they were derived and recapitulate the heterogeneous biology and behavior of bone cancer in mouse models. This system provides a resource to understand essential interactions between tumor cells and the stromal environment that drive the progression and metastatic propensity of OS. © 2016

  1. Bidirectional interconversion of stem and non-stem cancer cell populations: A reassessment of theoretical models for tumor heterogeneity

    NARCIS (Netherlands)

    van Neerven, Sanne M.; Tieken, Mathijs; Vermeulen, Louis; Bijlsma, Maarten F.

    2016-01-01

    Resolving the origin of intratumor heterogeneity has proven to be one of the central challenges in cancer research during recent years. Two theoretical models explaining the emergence of intratumor heterogeneity have come to dominate cancer biology literature: the clonal evolution model and the

  2. 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.

  3. A MODEL OF HETEROGENEOUS DISTRIBUTED SYSTEM FOR FOREIGN EXCHANGE PORTFOLIO ANALYSIS

    Directory of Open Access Journals (Sweden)

    Dragutin Kermek

    2006-06-01

    Full Text Available The paper investigates the design of heterogeneous distributed system for foreign exchange portfolio analysis. The proposed model includes few separated and dislocated but connected parts through distributed mechanisms. Making system distributed brings new perspectives to performance busting where software based load balancer gets very important role. Desired system should spread over multiple, heterogeneous platforms in order to fulfil open platform goal. Building such a model incorporates different patterns from GOF design patterns, business patterns, J2EE patterns, integration patterns, enterprise patterns, distributed design patterns to Web services patterns. The authors try to find as much as possible appropriate patterns for planned tasks in order to capture best modelling and programming practices.

  4. I h and HCN channels in murine spiral ganglion neurons: tonotopic variation, local heterogeneity, and kinetic model.

    Science.gov (United States)

    Liu, Qing; Manis, Paul B; Davis, Robin L

    2014-08-01

    One of the major contributors to the response profile of neurons in the auditory pathways is the I h current. Its properties such as magnitude, activation, and kinetics not only vary among different types of neurons (Banks et al., J Neurophysiol 70:1420-1432, 1993; Fu et al., J Neurophysiol 78:2235-2245, 1997; Bal and Oertel, J Neurophysiol 84:806-817, 2000; Cao and Oertel, J Neurophysiol 94:821-832, 2005; Rodrigues and Oertel, J Neurophysiol 95:76-87, 2006; Yi et al., J Neurophysiol 103:2532-2543, 2010), but they also display notable diversity in a single population of spiral ganglion neurons (Mo and Davis, J Neurophysiol 78:3019-3027, 1997), the first neural element in the auditory periphery. In this study, we found from somatic recordings that part of the heterogeneity can be attributed to variation along the tonotopic axis because I h in the apical neurons have more positive half-activation voltage levels than basal neurons. Even within a single cochlear region, however, I h current properties are not uniform. To account for this heterogeneity, we provide immunocytochemical evidence for variance in the intracellular density of the hyperpolarization-activated cyclic nucleotide-gated channel α-subunit 1 (HCN1), which mediates I h current. We also observed different combinations of HCN1 and HCN4 α-subunits from cell to cell. Lastly, based on the physiological data, we performed kinetic analysis for the I h current and generated a mathematical model to better understand varied I h on spiral ganglion function. Regardless of whether I h currents are recorded at the nerve terminals (Yi et al., J Neurophysiol 103:2532-2543, 2010) or at the somata of spiral ganglion neurons, they have comparable mean half-activation voltage and induce similar resting membrane potential changes, and thus our model may also provide insights into the impact of I h on synaptic physiology.

  5. Concurrent heterogeneous neural model simulation on real-time neuromimetic hardware.

    Science.gov (United States)

    Rast, Alexander; Galluppi, Francesco; Davies, Sergio; Plana, Luis; Patterson, Cameron; Sharp, Thomas; Lester, David; Furber, Steve

    2011-11-01

    Dedicated hardware is becoming increasingly essential to simulate emerging very-large-scale neural models. Equally, however, it needs to be able to support multiple models of the neural dynamics, possibly operating simultaneously within the same system. This may be necessary either to simulate large models with heterogeneous neural types, or to simplify simulation and analysis of detailed, complex models in a large simulation by isolating the new model to a small subpopulation of a larger overall network. The SpiNNaker neuromimetic chip is a dedicated neural processor able to support such heterogeneous simulations. Implementing these models on-chip uses an integrated library-based tool chain incorporating the emerging PyNN interface that allows a modeller to input a high-level description and use an automated process to generate an on-chip simulation. Simulations using both LIF and Izhikevich models demonstrate the ability of the SpiNNaker system to generate and simulate heterogeneous networks on-chip, while illustrating, through the network-scale effects of wavefront synchronisation and burst gating, methods that can provide effective behavioural abstractions for large-scale hardware modelling. SpiNNaker's asynchronous virtual architecture permits greater scope for model exploration, with scalable levels of functional and temporal abstraction, than conventional (or neuromorphic) computing platforms. The complete system illustrates a potential path to understanding the neural model of computation, by building (and breaking) neural models at various scales, connecting the blocks, then comparing them against the biology: computational cognitive neuroscience. Copyright © 2011 Elsevier Ltd. All rights reserved.

  6. Zero-inflated count models for longitudinal measurements with heterogeneous random effects.

    Science.gov (United States)

    Zhu, Huirong; Luo, Sheng; DeSantis, Stacia M

    2017-08-01

    Longitudinal zero-inflated count data arise frequently in substance use research when assessing the effects of behavioral and pharmacological interventions. Zero-inflated count models (e.g. zero-inflated Poisson or zero-inflated negative binomial) with random effects have been developed to analyze this type of data. In random effects zero-inflated count models, the random effects covariance matrix is typically assumed to be homogeneous (constant across subjects). However, in many situations this matrix may be heterogeneous (differ by measured covariates). In this paper, we extend zero-inflated count models to account for random effects heterogeneity by modeling their variance as a function of covariates. We show via simulation that ignoring intervention and covariate-specific heterogeneity can produce biased estimates of covariate and random effect estimates. Moreover, those biased estimates can be rectified by correctly modeling the random effects covariance structure. The methodological development is motivated by and applied to the Combined Pharmacotherapies and Behavioral Interventions for Alcohol Dependence (COMBINE) study, the largest clinical trial of alcohol dependence performed in United States with 1383 individuals.

  7. The EDEN-IW ontology model for sharing knowledge and water quality data between heterogenous databases

    DEFF Research Database (Denmark)

    Stjernholm, M.; Poslad, S.; Zuo, L.

    2004-01-01

    The Environmental Data Exchange Network for Inland Water (EDEN-IW) project's main aim is to develop a system for making disparate and heterogeneous databases of Inland Water quality more accessible to users. The core technology is based upon a combination of: ontological model to represent...... a Semantic Web based data model for IW; software agents as an infrastructure to share and reason about the IW se-mantic data model and XML to make the information accessible to Web portals and mainstream Web services. This presentation focuses on the Semantic Web or Onto-logical model. Currently, we have...

  8. A new assessment model for tumor heterogeneity analysis with [18]F-FDG PET images.

    Science.gov (United States)

    Wang, Ping; Xu, Wengui; Sun, Jian; Yang, Chengwen; Wang, Gang; Sa, Yu; Hu, Xin-Hua; Feng, Yuanming

    2016-01-01

    It has been shown that the intratumor heterogeneity can be characterized with quantitative analysis of the [18]F-FDG PET image data. The existing models employ multiple parameters for feature extraction which makes it difficult to implement in clinical settings for the quantitative characterization. This article reports an easy-to-use and differential SUV based model for quantitative assessment of the intratumor heterogeneity from 3D [18]F-FDG PET image data. An H index is defined to assess tumor heterogeneity by summing voxel-wise distribution of differential SUV from the [18]F-FDG PET image data. The summation is weighted by the distance of SUV difference among neighboring voxels from the center of the tumor and can thus yield increased values for tumors with peripheral sub-regions of high SUV that often serves as an indicator of augmented malignancy. Furthermore, the sign of H index is used to differentiate the rate of change for volume averaged SUV from its center to periphery. The new model with the H index has been compared with a widely-used model of gray level co-occurrence matrix (GLCM) for image texture characterization with phantoms of different configurations and the [18]F-FDG PET image data of 6 lung cancer patients to evaluate its effectiveness and feasibility for clinical uses. The comparison of the H index and GLCM parameters with the phantoms demonstrate that the H index can characterize the SUV heterogeneity in all of 6 2D phantoms while only 1 GLCM parameter can do for 1 and fail to differentiate for other 2D phantoms. For the 8 3D phantoms, the H index can clearly differentiate all of them while the 4 GLCM parameters provide complicated patterns in the characterization. Feasibility study with the PET image data from 6 lung cancer patients show that the H index provides an effective single-parameter metric to characterize tumor heterogeneity in terms of the local SUV variation, and it has higher correlation with tumor volume change after

  9. Temperature driven annealing of perforations in bicellar model membranes.

    Science.gov (United States)

    Nieh, Mu-Ping; Raghunathan, V A; Pabst, Georg; Harroun, Thad; Nagashima, Kazuomi; Morales, Hannah; Katsaras, John; Macdonald, Peter

    2011-04-19

    Bicellar model membranes composed of 1,2-dimyristoylphosphatidylcholine (DMPC) and 1,2-dihexanoylphosphatidylcholine (DHPC), with a DMPC/DHPC molar ratio of 5, and doped with the negatively charged lipid 1,2-dimyristoylphosphatidylglycerol (DMPG), at DMPG/DMPC molar ratios of 0.02 or 0.1, were examined using small angle neutron scattering (SANS), (31)P NMR, and (1)H pulsed field gradient (PFG) diffusion NMR with the goal of understanding temperature effects on the DHPC-dependent perforations in these self-assembled membrane mimetics. Over the temperature range studied via SANS (300-330 K), these bicellar lipid mixtures exhibited a well-ordered lamellar phase. The interlamellar spacing d increased with increasing temperature, in direct contrast to the decrease in d observed upon increasing temperature with otherwise identical lipid mixtures lacking DHPC. (31)P NMR measurements on magnetically aligned bicellar mixtures of identical composition indicated a progressive migration of DHPC from regions of high curvature into planar regions with increasing temperature, and in accord with the "mixed bicelle model" (Triba, M. N.; Warschawski, D. E.; Devaux, P. E. Biophys. J.2005, 88, 1887-1901). Parallel PFG diffusion NMR measurements of transbilayer water diffusion, where the observed diffusion is dependent on the fractional surface area of lamellar perforations, showed that transbilayer water diffusion decreased with increasing temperature. A model is proposed consistent with the SANS, (31)P NMR, and PFG diffusion NMR data, wherein increasing temperature drives the progressive migration of DHPC out of high-curvature regions, consequently decreasing the fractional volume of lamellar perforations, so that water occupying these perforations redistributes into the interlamellar volume, thereby increasing the interlamellar spacing. © 2011 American Chemical Society

  10. Heterogeneity and contaminant transport modeling for the Savannah River integrated demonstration site

    International Nuclear Information System (INIS)

    Chesnut, D.A.

    1992-11-01

    The effectiveness of remediating aquifers and vadose zone sediments is frequently controlled by spatial heterogeneities. A continuing and long-recognized problem in selecting, planning, implementing, and operating remediation projects is the development of methods for quantitatively describing heterogeneity and predicting its effects on process performance. The similarity to and differences from modeling oil recovery processes in the petroleum industry are illustrated by the extension to contaminant extraction processes of an analytic model originally developed for waterflooding petroleum reservoirs. The resulting equations incorporate the effects of heterogeneity through a single parameter, σ. Fitting this model to the Savannah River in situ Air Stripping test data suggests that the injection of air into a horizontal well below the water table may have improved performance by changing the flow pattern in the vadose zone. This change increased the capture volume, and consequently the contaminant mass inventory, of the horizontal injection well completed in the vadose zone. The apparent increases (compared to extraction only from the horizontal well) are from 10,200 to 21,000 pounds for TCE and from 3,600 pounds to 59,800 pounds for PCE. The predominance of PCE in this calculated increase suggests that redistribution of flow paths in the vadose zone, rather than in-situ stripping, may provide most of the improvement. Although this preliminary conclusion remains to be reinforced by more sophisticated modeling currently in progress, there appears to be a definite improvement, which is attributable to air injection, over conventional remediation methods

  11. Harnessing Big Data to Represent 30-meter Spatial Heterogeneity in Earth System Models

    Science.gov (United States)

    Chaney, N.; Shevliakova, E.; Malyshev, S.; Van Huijgevoort, M.; Milly, C.; Sulman, B. N.

    2016-12-01

    Terrestrial land surface processes play a critical role in the Earth system; they have a profound impact on the global climate, food and energy production, freshwater resources, and biodiversity. One of the most fascinating yet challenging aspects of characterizing terrestrial ecosystems is their field-scale (˜30 m) spatial heterogeneity. It has been observed repeatedly that the water, energy, and biogeochemical cycles at multiple temporal and spatial scales have deep ties to an ecosystem's spatial structure. Current Earth system models largely disregard this important relationship leading to an inadequate representation of ecosystem dynamics. In this presentation, we will show how existing global environmental datasets can be harnessed to explicitly represent field-scale spatial heterogeneity in Earth system models. For each macroscale grid cell, these environmental data are clustered according to their field-scale soil and topographic attributes to define unique sub-grid tiles. The state-of-the-art Geophysical Fluid Dynamics Laboratory (GFDL) land model is then used to simulate these tiles and their spatial interactions via the exchange of water, energy, and nutrients along explicit topographic gradients. Using historical simulations over the contiguous United States, we will show how a robust representation of field-scale spatial heterogeneity impacts modeled ecosystem dynamics including the water, energy, and biogeochemical cycles as well as vegetation composition and distribution.

  12. Vortex forcing model for turbulent flow over spanwise-heterogeneous topogrpahies: scaling arguments and similarity solution

    Science.gov (United States)

    Anderson, William; Yang, Jianzhi

    2017-11-01

    Spanwise surface heterogeneity beneath high-Reynolds number, fully-rough wall turbulence is known to induce mean secondary flows in the form of counter-rotating streamwise vortices. The secondary flows are a manifestation of Prandtl's secondary flow of the second kind - driven and sustained by spatial heterogeneity of components of the turbulent (Reynolds averaged) stress tensor. The spacing between adjacent surface heterogeneities serves as a control on the spatial extent of the counter-rotating cells, while their intensity is controlled by the spanwise gradient in imposed drag (where larger gradients associated with more dramatic transitions in roughness induce stronger cells). In this work, we have performed an order of magnitude analysis of the mean (Reynolds averaged) streamwise vorticity transport equation, revealing the scaling dependence of circulation upon spanwise spacing. The scaling arguments are supported by simulation data. Then, we demonstrate that mean streamwise velocity can be predicted a priori via a similarity solution to the mean streamwise vorticity transport equation. A vortex forcing term was used to represent the affects of spanwise topographic heterogeneity within the flow. Efficacy of the vortex forcing term was established with large-eddy simulation cases, wherein vortex forcing model parameters were altered to capture different values of spanwise spacing.

  13. 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.

  14. The role of mechanical heterogeneities during continental breakup: a 3D lithospheric-scale modelling approach

    Science.gov (United States)

    Duclaux, Guillaume; Huismans, Ritske S.; May, Dave

    2015-04-01

    How and why do continents break? More than two decades of analogue and 2D plane-strain numerical experiments have shown that despite the origin of the forces driving extension, the geometry of continental rifts falls into three categories - or modes: narrow rift, wide rift, or core complex. The mode of extension itself is strongly influenced by the rheology (and rheological behaviour) of the modelled layered system. In every model, an initial thermal or mechanical heterogeneity, such as a weak seed or a notch, is imposed to help localise the deformation and avoid uniform stretching of the lithosphere by pure shear. While it is widely accepted that structural inheritance is a key parameter for controlling rift localisation - as implied by the Wilson Cycle - modelling the effect of lithospheric heterogeneities on the long-term tectonic evolution of an extending plate in full 3D remains challenging. Recent progress in finite-element methods applied to computational tectonics along with the improved accessibility to high performance computers, now enable to switch from plane strain thermo-mechanical experiments to full 3D high-resolution experiments. Here we investigate the role of mechanical heterogeneities on rift opening, linkage and propagation during extension of a layered lithospheric systems with pTatin3d, a geodynamics modeling package utilising the material-point-method for tracking material composition, combined with a multigrid finite-element method to solve heterogeneous, incompressible visco-plastic Stokes problems. The initial model setup consists in a box of 1200 km horizontally by 250 km deep. It includes a 35 km layer of continental crust, underlaid by 85 km of sub-continental lithospheric mantle, and an asthenospheric mantle. Crust and mantle have visco-plastic rheologies with a pressure dependent yielding, which includes strain weakening, and a temperature, stress, strain-rate-dependent viscosity based on wet quartzite rheology for the crust, and wet

  15. Particle-based modeling of heterogeneous chemical kinetics including mass transfer

    Science.gov (United States)

    Sengar, A.; Kuipers, J. A. M.; van Santen, Rutger A.; Padding, J. T.

    2017-08-01

    Connecting the macroscopic world of continuous fields to the microscopic world of discrete molecular events is important for understanding several phenomena occurring at physical boundaries of systems. An important example is heterogeneous catalysis, where reactions take place at active surfaces, but the effective reaction rates are determined by transport limitations in the bulk fluid and reaction limitations on the catalyst surface. In this work we study the macro-micro connection in a model heterogeneous catalytic reactor by means of stochastic rotation dynamics. The model is able to resolve the convective and diffusive interplay between participating species, while including adsorption, desorption, and reaction processes on the catalytic surface. Here we apply the simulation methodology to a simple straight microchannel with a catalytic strip. Dimensionless Damkohler numbers are used to comment on the spatial concentration profiles of reactants and products near the catalyst strip and in the bulk. We end the discussion with an outlook on more complicated geometries and increasingly complex reactions.

  16. Particle-based modeling of heterogeneous chemical kinetics including mass transfer.

    Science.gov (United States)

    Sengar, A; Kuipers, J A M; van Santen, Rutger A; Padding, J T

    2017-08-01

    Connecting the macroscopic world of continuous fields to the microscopic world of discrete molecular events is important for understanding several phenomena occurring at physical boundaries of systems. An important example is heterogeneous catalysis, where reactions take place at active surfaces, but the effective reaction rates are determined by transport limitations in the bulk fluid and reaction limitations on the catalyst surface. In this work we study the macro-micro connection in a model heterogeneous catalytic reactor by means of stochastic rotation dynamics. The model is able to resolve the convective and diffusive interplay between participating species, while including adsorption, desorption, and reaction processes on the catalytic surface. Here we apply the simulation methodology to a simple straight microchannel with a catalytic strip. Dimensionless Damkohler numbers are used to comment on the spatial concentration profiles of reactants and products near the catalyst strip and in the bulk. We end the discussion with an outlook on more complicated geometries and increasingly complex reactions.

  17. LDRD final report : mesoscale modeling of dynamic loading of heterogeneous materials

    Energy Technology Data Exchange (ETDEWEB)

    Robbins, Joshua [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Dingreville, Remi Philippe Michel [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Voth, Thomas Eugene [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Furnish, Michael David [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2013-12-01

    Material response to dynamic loading is often dominated by microstructure (grain structure, porosity, inclusions, defects). An example critically important to Sandia's mission is dynamic strength of polycrystalline metals where heterogeneities lead to localization of deformation and loss of shear strength. Microstructural effects are of broad importance to the scientific community and several institutions within DoD and DOE; however, current models rely on inaccurate assumptions about mechanisms at the sub-continuum or mesoscale. Consequently, there is a critical need for accurate and robust methods for modeling heterogeneous material response at this lower length scale. This report summarizes work performed as part of an LDRD effort (FY11 to FY13; project number 151364) to meet these needs.

  18. Modeling of interactions between nanoparticles and cell membranes

    Science.gov (United States)

    Ban, Young-Min

    Rapid development of nanotechnology and ability to manufacture materials and devices with nanometer feature size leads to exciting innovations in many areas including the medical and electronic fields. However, the possible health and environmental impacts of manufactured nanomaterials are not fully known. Recent experimental reports suggest that some of the manufactured nanomaterials, such as fullerenes and carbon nanotubes, are highly toxic even in small concentrations. The goal of the current work is to understand the mechanisms responsible for the toxicity of nanomaterials. In the current study coarse-grained molecular dynamics simulations are employed to investigate the interactions between NPs and cellular membranes at a molecular level. One of the possible toxicity mechanisms of the nanomaterials is membrane disruption. Possibility of membrane disruption exposed to the manufactured nanomaterials are examined by considering chemical reactions and non-reactive physical interactions as chemical as well as physical mechanisms. Mechanisms of transport of carbon-based nanoparticles (fullerene and its derivative) across a phospholipid bilayer are investigated. The free energy profile is obtained using constrained simulations. It is shown that the considered nanoparticles are hydrophobic and therefore they tend to reside in the interior of the lipid bilayer. In addition, the dynamics of the membrane fluctuations is significantly affected by the nanoparticles at the bilayer-water interface. The hydrophobic interaction between the particles and membrane core induces the strong coupling between the nanoparticle motion and membrane deformation. It is observed that the considered nanoparticles affect several physical properties of the membrane. The nanoparticles embedded into the membrane interior lead to the membrane softening, which becomes more significant with increase in CNT length and concentration. The lateral pressure profile and membrane energy in the membrane

  19. Modeling Site Heterogeneity with Posterior Mean Site Frequency Profiles Accelerates Accurate Phylogenomic Estimation.

    Science.gov (United States)

    Wang, Huai-Chun; Minh, Bui Quang; Susko, Edward; Roger, Andrew J

    2018-03-01

    Proteins have distinct structural and functional constraints at different sites that lead to site-specific preferences for particular amino acid residues as the sequences evolve. Heterogeneity in the amino acid substitution process between sites is not modeled by commonly used empirical amino acid exchange matrices. Such model misspecification can lead to artefacts in phylogenetic estimation such as long-branch attraction. Although sophisticated site-heterogeneous mixture models have been developed to address this problem in both Bayesian and maximum likelihood (ML) frameworks, their formidable computational time and memory usage severely limits their use in large phylogenomic analyses. Here we propose a posterior mean site frequency (PMSF) method as a rapid and efficient approximation to full empirical profile mixture models for ML analysis. The PMSF approach assigns a conditional mean amino acid frequency profile to each site calculated based on a mixture model fitted to the data using a preliminary guide tree. These PMSF profiles can then be used for in-depth tree-searching in place of the full mixture model. Compared with widely used empirical mixture models with $k$ classes, our implementation of PMSF in IQ-TREE (http://www.iqtree.org) speeds up the computation by approximately $k$/1.5-fold and requires a small fraction of the RAM. Furthermore, this speedup allows, for the first time, full nonparametric bootstrap analyses to be conducted under complex site-heterogeneous models on large concatenated data matrices. Our simulations and empirical data analyses demonstrate that PMSF can effectively ameliorate long-branch attraction artefacts. In some empirical and simulation settings PMSF provided more accurate estimates of phylogenies than the mixture models from which they derive.

  20. Behavioural breaks in the heterogeneous agent model: The impact of herding, overconfidence, and market sentiment

    Czech Academy of Sciences Publication Activity Database

    Kukačka, Jiří; Baruník, Jozef

    2013-01-01

    Roč. 392, č. 23 (2013), s. 5920-5938 ISSN 0378-4371 R&D Projects: GA ČR GA402/09/0965 Institutional support: RVO:67985556 Keywords : Heterogeneous agent model * Behavioural finance * Herding * Overconfidence * Market sentiment * Stock market crash Subject RIV: AH - Economics Impact factor: 1.722, year: 2013 http://library.utia.cas.cz/separaty/2013/E/barunik-0395344.pdf

  1. Supervised learning methods in modeling of CD4+ T cell heterogeneity

    OpenAIRE

    Lu, Pinyi; Abedi, Vida; Mei, Yongguo; Hontecillas, Raquel; Hoops, Stefan; Carbo, Adria; Bassaganya-Riera, Josep

    2015-01-01

    Background Modeling of the immune system – a highly non-linear and complex system – requires practical and efficient data analytic approaches. The immune system is composed of heterogeneous cell populations and hundreds of cell types, such as neutrophils, eosinophils, macrophages, dendritic cells, T cells, and B cells. Each cell type is highly diverse and can be further differentiated into subsets with unique and overlapping functions. For example, CD4+ T cells can be differentiated into T...

  2. A Simple Model of Trade with Heterogeneous Firms and Trade Policy

    OpenAIRE

    Fukushima, Marcelo; Kikuchi, Toru

    2008-01-01

    This paper builds a Ricardian-Chamberlinian two-country model with heterogeneous firms in a monopolistically competitive sector in which every new entrant faces increasing fixed costs of production. There are efficiency gaps between countries in marginal and fixed costs and a country unilaterally imposes an import tariff. It is shown that an increase in tariff increases the number of firms of the tariff imposing country while decreases the number of firms of the tariff-imposed country, ...

  3. System model the processing of heterogeneous sensory information in robotized complex

    Science.gov (United States)

    Nikolaev, V.; Titov, V.; Syryamkin, V.

    2018-05-01

    Analyzed the scope and the types of robotic systems consisting of subsystems of the form "a heterogeneous sensors data processing subsystem". On the basis of the Queuing theory model is developed taking into account the unevenness of the intensity of information flow from the sensors to the subsystem of information processing. Analytical solution to assess the relationship of subsystem performance and uneven flows. The research of the obtained solution in the range of parameter values of practical interest.

  4. Multienzyme Immobilized Polymeric Membrane Reactor for the Transformation of a Lignin Model Compound

    Directory of Open Access Journals (Sweden)

    Rupam Sarma

    2018-04-01

    Full Text Available We have developed an integrated, multienzyme functionalized membrane reactor for bioconversion of a lignin model compound involving enzymatic catalysis. The membrane bioreactors were fabricated through the layer-by-layer assembly approach to immobilize three different enzymes (glucose oxidase, peroxidase and laccase into pH-responsive membranes. This novel membrane reactor couples the in situ generation of hydrogen peroxide (by glucose oxidase to oxidative conversion of a lignin model compound, guaiacylglycerol-β-guaiacyl ether (GGE. Preliminary investigation of the efficacy of these functional membranes towards GGE degradation is demonstrated under convective flow mode. Over 90% of the initial feed could be degraded with the multienzyme immobilized membranes at a residence time of approximately 22 s. GGE conversion product analysis revealed the formation of oligomeric oxidation products upon reaction with peroxidase, which may be a potential hazard to membrane bioreactors. These oxidation products could further be degraded by laccase enzymes in the multienzymatic membranes, explaining the potential of multi enzyme membrane reactors. The multienzyme incorporated membrane reactors were active for more than 30 days of storage time at 4 °C. During this time span, repetitive use of the membrane reactor was demonstrated involving 5–6 h of operation time for each cycle. The membrane reactor displayed encouraging performance, losing only 12% of its initial activity after multiple cycles of operation.

  5. A single molecule approach for measuring the transport properties and energetics of membrane proteins in heterogeneous planar bio-mimetic assemblies

    Science.gov (United States)

    Poudel, Kumud Raj

    The significance of transmembrane protein research is well documented. Numerous studies have clearly established the biological, biophysical and pharmaceutical importance that these membrane components serve. Communications through receptors regulate countless body functions and they also provide structural support to the cell. However, a lack of high-resolution structure data has limited our understanding of these proteins that make it necessary to study them in in-vitro platforms or 'bio-mimetic' assemblies. Albeit that an assortment of platforms have been suggested for in-vitro studies, the issues, however, remain the same. The lack of mobility of the proteins in artificial environments, the question of functionality that arises with mobility and the search in general for the best assembly, is still a work in progress. In this work, we have taken some of the most accepted platforms in the field and characterized them through the lens of single molecule spectroscopy. We have addressed the question of mobility by reducing it down to a single molecule and comparing it with the bulk. By utilizing the Serotonin Receptor 5HT3A we have shown that techniques such as passivation of the substrates in the assemblies by Bovine Serum Albumin has a significant effect at the molecular level. The larger size of the intracellular domain for the 5HT3A served as a great probe to understand and evaluate the interaction of a surface passivator with the integrated membrane protein. We have also taken this a step further by developing a novel, single cushion 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) assembly and added another degree of complexity- through a phase transition. We have utilized phase transition to get an insight into the local protein environment, activation energies, heterogeneity and diffusion characteristics by using Annexin V as our probe. The work presented here studies two completely different biological platforms using two entirely different transmembrane

  6. An heterogeneous nucleation model for the irradiation coloring of alkali halides

    International Nuclear Information System (INIS)

    Aguilar, M.; Jaque, F.; Agullo-Lopez, F.

    1980-01-01

    An heterogeneous nucleation model for the radiation-induced coloring of alkali halides is presented. The model assumes a primary mechanism producing F and H pairs, followed by secondary thermally activated reactions including F-H recombination as well interstitial capture. The existence of a very unstable interstitial aggregate is explicitely considered. The model is able to account for the three-stages structure of the F-coloring curve and the inhibition in the occurrence of the late-stage by lowering dose-rate or by impurity doping

  7. Characterization of the nonequilibrium steady state of a heterogeneous nonlinear q-voter model with zealotry

    Science.gov (United States)

    Mellor, Andrew; Mobilia, Mauro; Zia, R. K. P.

    2016-02-01

    We introduce a heterogeneous nonlinear q-voter model with zealots and two types of susceptible voters, and study its non-equilibrium properties when the population is finite and well mixed. In this two-opinion model, each individual supports one of two parties and is either a zealot or a susceptible voter of type q 1 or q 2. While here zealots never change their opinion, a q i -susceptible voter (i=1,2) consults a group of q i neighbors at each time step, and adopts their opinion if all group members agree. We show that this model violates the detailed balance whenever q1 \

  8. Improving sub-pixel imperviousness change prediction by ensembling heterogeneous non-linear regression models

    Directory of Open Access Journals (Sweden)

    Drzewiecki Wojciech

    2016-12-01

    Full Text Available In this work nine non-linear regression models were compared for sub-pixel impervious surface area mapping from Landsat images. The comparison was done in three study areas both for accuracy of imperviousness coverage evaluation in individual points in time and accuracy of imperviousness change assessment. The performance of individual machine learning algorithms (Cubist, Random Forest, stochastic gradient boosting of regression trees, k-nearest neighbors regression, random k-nearest neighbors regression, Multivariate Adaptive Regression Splines, averaged neural networks, and support vector machines with polynomial and radial kernels was also compared with the performance of heterogeneous model ensembles constructed from the best models trained using particular techniques.

  9. Large-scale model of flow in heterogeneous and hierarchical porous media

    Science.gov (United States)

    Chabanon, Morgan; Valdés-Parada, Francisco J.; Ochoa-Tapia, J. Alberto; Goyeau, Benoît

    2017-11-01

    Heterogeneous porous structures are very often encountered in natural environments, bioremediation processes among many others. Reliable models for momentum transport are crucial whenever mass transport or convective heat occurs in these systems. In this work, we derive a large-scale average model for incompressible single-phase flow in heterogeneous and hierarchical soil porous media composed of two distinct porous regions embedding a solid impermeable structure. The model, based on the local mechanical equilibrium assumption between the porous regions, results in a unique momentum transport equation where the global effective permeability naturally depends on the permeabilities at the intermediate mesoscopic scales and therefore includes the complex hierarchical structure of the soil. The associated closure problem is numerically solved for various configurations and properties of the heterogeneous medium. The results clearly show that the effective permeability increases with the volume fraction of the most permeable porous region. It is also shown that the effective permeability is sensitive to the dimensionality spatial arrangement of the porous regions and in particular depends on the contact between the impermeable solid and the two porous regions.

  10. A least-effort principle based model for heterogeneous pedestrian flow considering overtaking behavior

    Science.gov (United States)

    Liu, Chi; Ye, Rui; Lian, Liping; Song, Weiguo; Zhang, Jun; Lo, Siuming

    2018-05-01

    In the context of global aging, how to design traffic facilities for a population with a different age composition is of high importance. For this purpose, we propose a model based on the least effort principle to simulate heterogeneous pedestrian flow. In the model, the pedestrian is represented by a three-disc shaped agent. We add a new parameter to realize pedestrians' preference to avoid changing their direction of movement too quickly. The model is validated with numerous experimental data on unidirectional pedestrian flow. In addition, we investigate the influence of corridor width and velocity distribution of crowds on unidirectional heterogeneous pedestrian flow. The simulation results reflect that widening corridors could increase the specific flow for the crowd composed of two kinds of pedestrians with significantly different free velocities. Moreover, compared with a unified crowd, the crowd composed of pedestrians with great mobility differences requires a wider corridor to attain the same traffic efficiency. This study could be beneficial in providing a better understanding of heterogeneous pedestrian flow, and quantified outcomes could be applied in traffic facility design.

  11. A Universal Isotherm Model to Capture Adsorption Uptake and Energy Distribution of Porous Heterogeneous Surface

    KAUST Repository

    Ng, Kim Choon; Burhan, Muhammad; Shahzad, Muhammad Wakil; Ismail, Azahar Bin

    2017-01-01

    The adsorbate-adsorbent thermodynamics are complex as it is influenced by the pore size distributions, surface heterogeneity and site energy distribution, as well as the adsorbate properties. Together, these parameters defined the adsorbate uptake forming the state diagrams, known as the adsorption isotherms, when the sorption site energy on the pore surfaces are favorable. The available adsorption models for describing the vapor uptake or isotherms, hitherto, are individually defined to correlate to a certain type of isotherm patterns. There is yet a universal approach in developing these isotherm models. In this paper, we demonstrate that the characteristics of all sorption isotherm types can be succinctly unified by a revised Langmuir model when merged with the concepts of Homotattic Patch Approximation (HPA) and the availability of multiple sets of site energy accompanied by their respective fractional probability factors. The total uptake (q/q*) at assorted pressure ratios (P/P s ) are inextricably traced to the manner the site energies are spread, either naturally or engineered by scientists, over and across the heterogeneous surfaces. An insight to the porous heterogeneous surface characteristics, in terms of adsorption site availability has been presented, describing the unique behavior of each isotherm type.

  12. A Universal Isotherm Model to Capture Adsorption Uptake and Energy Distribution of Porous Heterogeneous Surface

    KAUST Repository

    Ng, Kim Choon

    2017-08-31

    The adsorbate-adsorbent thermodynamics are complex as it is influenced by the pore size distributions, surface heterogeneity and site energy distribution, as well as the adsorbate properties. Together, these parameters defined the adsorbate uptake forming the state diagrams, known as the adsorption isotherms, when the sorption site energy on the pore surfaces are favorable. The available adsorption models for describing the vapor uptake or isotherms, hitherto, are individually defined to correlate to a certain type of isotherm patterns. There is yet a universal approach in developing these isotherm models. In this paper, we demonstrate that the characteristics of all sorption isotherm types can be succinctly unified by a revised Langmuir model when merged with the concepts of Homotattic Patch Approximation (HPA) and the availability of multiple sets of site energy accompanied by their respective fractional probability factors. The total uptake (q/q*) at assorted pressure ratios (P/P s ) are inextricably traced to the manner the site energies are spread, either naturally or engineered by scientists, over and across the heterogeneous surfaces. An insight to the porous heterogeneous surface characteristics, in terms of adsorption site availability has been presented, describing the unique behavior of each isotherm type.

  13. Study on evaluation method for heterogeneous sedimentary rocks based on forward model

    International Nuclear Information System (INIS)

    Masui, Yasuhiro; Kawada, Koji; Katoh, Arata; Tsuji, Takashi; Suwabe, Mizue

    2004-02-01

    It is very important to estimate the facies distribution of heterogeneous sedimentary rocks for geological disposal of high level radioactive waste. The heterogeneousness of sedimentary rocks is due to variable distribution of grain size and mineral composition. The objective of this study is to establish the evaluation method for heterogeneous sedimentary rocks based on forward model. This study consisted of geological study for Horonobe area and the development of soft wear for sedimentary model. Geological study was composed of following items. 1. The sedimentary system for Koetoi and Wakkanai formations in Horonobe area was compiled based on papers. 2. The cores of HDB-1 were observed mainly from sedimentological view. 3. The facies and compaction property of argillaceous rocks were studied based on physical logs and core analysis data of wells. 4. The structure maps, isochrone maps, isopach maps and restored geological sections were made. The soft wear for sedimentary model to show sedimentary system on a basin scale was developed. This soft wear estimates the facies distribution and hydraulic conductivity of sedimentary rocks on three dimensions scale by numerical simulation. (author)

  14. Finsler Geometry Modeling of an Orientation-Asymmetric Surface Model for Membranes

    Science.gov (United States)

    Proutorov, Evgenii; Koibuchi, Hiroshi

    2017-12-01

    In this paper, a triangulated surface model is studied in the context of Finsler geometry (FG) modeling. This FG model is an extended version of a recently reported model for two-component membranes, and it is asymmetric under surface inversion. We show that the definition of the model is independent of how the Finsler length of a bond is defined. This leads us to understand that the canonical (or Euclidean) surface model is obtained from the FG model such that it is uniquely determined as a trivial model from the viewpoint of well definedness.

  15. Transport lattice models of heat transport in skin with spatially heterogeneous, temperature-dependent perfusion

    Directory of Open Access Journals (Sweden)

    Martin Gregory T

    2004-11-01

    Full Text Available Abstract Background Investigation of bioheat transfer problems requires the evaluation of temporal and spatial distributions of temperature. This class of problems has been traditionally addressed using the Pennes bioheat equation. Transport of heat by conduction, and by temperature-dependent, spatially heterogeneous blood perfusion is modeled here using a transport lattice approach. Methods We represent heat transport processes by using a lattice that represents the Pennes bioheat equation in perfused tissues, and diffusion in nonperfused regions. The three layer skin model has a nonperfused viable epidermis, and deeper regions of dermis and subcutaneous tissue with perfusion that is constant or temperature-dependent. Two cases are considered: (1 surface contact heating and (2 spatially distributed heating. The model is relevant to the prediction of the transient and steady state temperature rise for different methods of power deposition within the skin. Accumulated thermal damage is estimated by using an Arrhenius type rate equation at locations where viable tissue temperature exceeds 42°C. Prediction of spatial temperature distributions is also illustrated with a two-dimensional model of skin created from a histological image. Results The transport lattice approach was validated by comparison with an analytical solution for a slab with homogeneous thermal properties and spatially distributed uniform sink held at constant temperatures at the ends. For typical transcutaneous blood gas sensing conditions the estimated damage is small, even with prolonged skin contact to a 45°C surface. Spatial heterogeneity in skin thermal properties leads to a non-uniform temperature distribution during a 10 GHz electromagnetic field exposure. A realistic two-dimensional model of the skin shows that tissue heterogeneity does not lead to a significant local temperature increase when heated by a hot wire tip. Conclusions The heat transport system model of the

  16. Initiation and dynamics of a spiral wave around an ionic heterogeneity in a model for human cardiac tissue.

    Science.gov (United States)

    Defauw, Arne; Dawyndt, Peter; Panfilov, Alexander V

    2013-12-01

    In relation to cardiac arrhythmias, heterogeneity of cardiac tissue is one of the most important factors underlying the onset of spiral waves and determining their type. In this paper, we numerically model heterogeneity of realistic size and value and study formation and dynamics of spiral waves around such heterogeneity. We find that the only sustained pattern obtained is a single spiral wave anchored around the heterogeneity. Dynamics of an anchored spiral wave depend on the extent of heterogeneity, and for certain heterogeneity size, we find abrupt regional increase in the period of excitation occurring as a bifurcation. We study factors determining spatial distribution of excitation periods of anchored spiral waves and discuss consequences of such dynamics for cardiac arrhythmias and possibilities for experimental testings of our predictions.

  17. Effect of Amphotericin B antibiotic on the properties of model lipid membrane

    International Nuclear Information System (INIS)

    Kiryakova, S; Dencheva-Zarkova, M; Genova, J

    2014-01-01

    Model membranes formed from natural and synthetic lipids are an interesting object for scientific investigations due to their similarity to biological cell membrane and their simple structure with controlled composition and properties. Amphotericin B is an important polyene antifungal antibiotic, used for treatment of systemic fungal infections. It is known from the literature that the studied antibiotic has a substantial effect on the transmembrane ionic channel structures. When applied to the lipid membranes it has the tendency to create pores and in this way to affect the structure and the properties of the membrane lipid bilayer. In this work the thermally induced shape fluctuations of giant quasi-spherical liposomes have been used to study the influence of polyene antibiotic amphotericin B on the elastic properties of model lipid membranes. It have been shown experimentally that the presence of 3 mol % of AmB in the lipid membrane reduces the bending elasticity of the lipid membrane for both studied cases: pure SOPC membrane and mixed SOPC-Cholesterol membrane. Interaction of the amphotericin B with bilayer lipid membranes containing channels have been studied in this work. Model membranes were self-assembled using the patch-clamp and tip-dip patch clamp technique. We have found that amphotericin B is an ionophore and reduces the resistance of the lipid bilayer

  18. The malignant pleural effusion as a model to investigate intratumoral heterogeneity in lung cancer.

    Directory of Open Access Journals (Sweden)

    Saroj K Basak

    Full Text Available Malignant Pleural Effusions (MPE may be useful as a model to study hierarchical progression of cancer and/or intratumoral heterogeneity. To strengthen the rationale for developing the MPE-model for these purposes, we set out to find evidence for the presence of cancer stem cells (CSC in MPE and demonstrate an ability to sustain intratumoral heterogeneity in MPE-primary cultures. Our studies show that candidate lung CSC-expression signatures (PTEN, OCT4, hTERT, Bmi1, EZH2 and SUZ12 are evident in cell pellets isolated from MPE, and MPE-cytopathology also labels candidate-CSC (CD44, cMET, MDR-1, ALDH subpopulations. Moreover, in primary cultures that use MPE as the source of both tumor cells and the tumor microenvironment (TME, candidate CSC are maintained over time. This allows us to live-sort candidate CSC-fractions from the MPE-tumor mix on the basis of surface markers (CD44, c-MET, uPAR, MDR-1 or differences in xenobiotic metabolism (ALDH. Thus, MPE-primary cultures provide an avenue to extract candidate CSC populations from individual (isogenic MPE-tumors. This will allow us to test whether these cells can be discriminated in functional bioassays. Tumor heterogeneity in MPE-primary cultures is evidenced by variable immunolabeling, differences in colony-morphology, and differences in proliferation rates of cell subpopulations. Collectively, these data justify the ongoing development of the MPE-model for the investigation of intratumoral heterogeneity, tumor-TME interactions, and phenotypic validation of candidate lung CSC, in addition to providing direction for the pre-clinical development of rational therapeutics.

  19. Optimization of large-scale heterogeneous system-of-systems models.

    Energy Technology Data Exchange (ETDEWEB)

    Parekh, Ojas; Watson, Jean-Paul; Phillips, Cynthia Ann; Siirola, John; Swiler, Laura Painton; Hough, Patricia Diane (Sandia National Laboratories, Livermore, CA); Lee, Herbert K. H. (University of California, Santa Cruz, Santa Cruz, CA); Hart, William Eugene; Gray, Genetha Anne (Sandia National Laboratories, Livermore, CA); Woodruff, David L. (University of California, Davis, Davis, CA)

    2012-01-01

    Decision makers increasingly rely on large-scale computational models to simulate and analyze complex man-made systems. For example, computational models of national infrastructures are being used to inform government policy, assess economic and national security risks, evaluate infrastructure interdependencies, and plan for the growth and evolution of infrastructure capabilities. A major challenge for decision makers is the analysis of national-scale models that are composed of interacting systems: effective integration of system models is difficult, there are many parameters to analyze in these systems, and fundamental modeling uncertainties complicate analysis. This project is developing optimization methods to effectively represent and analyze large-scale heterogeneous system of systems (HSoS) models, which have emerged as a promising approach for describing such complex man-made systems. These optimization methods enable decision makers to predict future system behavior, manage system risk, assess tradeoffs between system criteria, and identify critical modeling uncertainties.

  20. A Critical Plane-energy Model for Multiaxial Fatigue Life Prediction of Homogeneous and Heterogeneous Materials

    Science.gov (United States)

    Wei, Haoyang

    A new critical plane-energy model is proposed in this thesis for multiaxial fatigue life prediction of homogeneous and heterogeneous materials. Brief review of existing methods, especially on the critical plane-based and energy-based methods, are given first. Special focus is on one critical plane approach which has been shown to work for both brittle and ductile metals. The key idea is to automatically change the critical plane orientation with respect to different materials and stress states. One potential drawback of the developed model is that it needs an empirical calibration parameter for non-proportional multiaxial loadings since only the strain terms are used and the out-of-phase hardening cannot be considered. The energy-based model using the critical plane concept is proposed with help of the Mroz-Garud hardening rule to explicitly include the effect of non-proportional hardening under fatigue cyclic loadings. Thus, the empirical calibration for non-proportional loading is not needed since the out-of-phase hardening is naturally included in the stress calculation. The model predictions are compared with experimental data from open literature and it is shown the proposed model can work for both proportional and non-proportional loadings without the empirical calibration. Next, the model is extended for the fatigue analysis of heterogeneous materials integrating with finite element method. Fatigue crack initiation of representative volume of heterogeneous materials is analyzed using the developed critical plane-energy model and special focus is on the microstructure effect on the multiaxial fatigue life predictions. Several conclusions and future work is drawn based on the proposed study.

  1. 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

    Lysolipids and fatty acids are the natural products formed by the hydrolysis of phospholipids. Lysolipids and fatty acids form micelles in solution and acts as detergents in the presence of lipid membranes. In this study, we investigate the detergent strength of a homologous series of lyso......-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...

  2. Development of models for fast fluid pathways through unsaturated heterogeneous porous media

    International Nuclear Information System (INIS)

    Robey, T.H.

    1994-11-01

    The pre-waste-emplacement ground water travel time requirement is a regulatory criterion that specifies ground water travel time to the accessible environment shall be greater than 1,000 years. Satisfying the ground water travel time criterion for the potential repository at Yucca Mountain requires the study of fast travel path formation in the unsaturated zone and development of models that simulate the formation of fast paths. Conceptual models for unsaturated flow that have been used for total-systems performance assessment generally fall into the categories of composite-porosity or fracture models. The actual hydrologic conditions at Yucca Mountain are thought to lie somewhere between the extremes of these two types of models. The current study considers the effects of heterogeneities on composite-porosity models and seeks to develop numerical methods (and models) that can produce locally saturated zones where fracture flow can occur. The credibility of the model and numerical methods is investigated by using test data from the INTRAVAL project (Swedish Nuclear Inspectorate, 1992) to attempt to predict in-situ volumetric water content at specific locations in Yucca Mountain. Work based on the numerical methods presented in this study is eventually intended to allow the calculation of ground water travel times in heterogeneous media. 60 refs

  3. An improved multi-value cellular automata model for heterogeneous bicycle traffic flow

    Energy Technology Data Exchange (ETDEWEB)

    Jin, Sheng [College of Civil Engineering and Architecture, Zhejiang University, Hangzhou, 310058 China (China); Qu, Xiaobo [Griffith School of Engineering, Griffith University, Gold Coast, 4222 Australia (Australia); Xu, Cheng [Department of Transportation Management Engineering, Zhejiang Police College, Hangzhou, 310053 China (China); College of Transportation, Jilin University, Changchun, 130022 China (China); Ma, Dongfang, E-mail: mdf2004@zju.edu.cn [Ocean College, Zhejiang University, Hangzhou, 310058 China (China); Wang, Dianhai [College of Civil Engineering and Architecture, Zhejiang University, Hangzhou, 310058 China (China)

    2015-10-16

    This letter develops an improved multi-value cellular automata model for heterogeneous bicycle traffic flow taking the higher maximum speed of electric bicycles into consideration. The update rules of both regular and electric bicycles are improved, with maximum speeds of two and three cells per second respectively. Numerical simulation results for deterministic and stochastic cases are obtained. The fundamental diagrams and multiple states effects under different model parameters are analyzed and discussed. Field observations were made to calibrate the slowdown probabilities. The results imply that the improved extended Burgers cellular automata (IEBCA) model is more consistent with the field observations than previous models and greatly enhances the realism of the bicycle traffic model. - Highlights: • We proposed an improved multi-value CA model with higher maximum speed. • Update rules are introduced for heterogeneous bicycle traffic with maximum speed 2 and 3 cells/s. • Simulation results of the proposed model are consistent with field bicycle data. • Slowdown probabilities of both regular and electric bicycles are calibrated.

  4. An improved multi-value cellular automata model for heterogeneous bicycle traffic flow

    International Nuclear Information System (INIS)

    Jin, Sheng; Qu, Xiaobo; Xu, Cheng; Ma, Dongfang; Wang, Dianhai

    2015-01-01

    This letter develops an improved multi-value cellular automata model for heterogeneous bicycle traffic flow taking the higher maximum speed of electric bicycles into consideration. The update rules of both regular and electric bicycles are improved, with maximum speeds of two and three cells per second respectively. Numerical simulation results for deterministic and stochastic cases are obtained. The fundamental diagrams and multiple states effects under different model parameters are analyzed and discussed. Field observations were made to calibrate the slowdown probabilities. The results imply that the improved extended Burgers cellular automata (IEBCA) model is more consistent with the field observations than previous models and greatly enhances the realism of the bicycle traffic model. - Highlights: • We proposed an improved multi-value CA model with higher maximum speed. • Update rules are introduced for heterogeneous bicycle traffic with maximum speed 2 and 3 cells/s. • Simulation results of the proposed model are consistent with field bicycle data. • Slowdown probabilities of both regular and electric bicycles are calibrated

  5. Computational Model of Antidepressant Response Heterogeneity as Multi-pathway Neuroadaptation

    Directory of Open Access Journals (Sweden)

    Mariam B. Camacho

    2017-12-01

    Full Text Available Current hypotheses cannot fully explain the clinically observed heterogeneity in antidepressant response. The therapeutic latency of antidepressants suggests that therapeutic outcomes are achieved not by the acute effects of the drugs, but rather by the homeostatic changes that occur as the brain adapts to their chronic administration. We present a computational model that represents the known interactions between the monoaminergic neurotransmitter-producing brain regions and associated non-monoaminergic neurotransmitter systems, and use the model to explore the possible ways in which the brain can homeostatically adjust to chronic antidepressant administration. The model also represents the neuron-specific neurotransmitter receptors that are known to adjust their strengths (expressions or sensitivities in response to chronic antidepressant administration, and neuroadaptation in the model occurs through sequential adjustments in these receptor strengths. The main result is that the model can reach similar levels of adaptation to chronic administration of the same antidepressant drug or combination along many different pathways, arriving correspondingly at many different receptor strength configurations, but not all of those adapted configurations are also associated with therapeutic elevations in monoamine levels. When expressed as the percentage of adapted configurations that are also associated with elevations in one or more of the monoamines, our modeling results largely agree with the percentage efficacy rates of antidepressants and antidepressant combinations observed in clinical trials. Our neuroadaptation model provides an explanation for the clinical reports of heterogeneous outcomes among patients chronically administered the same antidepressant drug regimen.

  6. Fuzzy Logic-Based Model That Incorporates Personality Traits for Heterogeneous Pedestrians

    Directory of Open Access Journals (Sweden)

    Zhuxin Xue

    2017-10-01

    Full Text Available Most models designed to simulate pedestrian dynamical behavior are based on the assumption that human decision-making can be described using precise values. This study proposes a new pedestrian model that incorporates fuzzy logic theory into a multi-agent system to address cognitive behavior that introduces uncertainty and imprecision during decision-making. We present a concept of decision preferences to represent the intrinsic control factors of decision-making. To realize the different decision preferences of heterogeneous pedestrians, the Five-Factor (OCEAN personality model is introduced to model the psychological characteristics of individuals. Then, a fuzzy logic-based approach is adopted for mapping the relationships between the personality traits and the decision preferences. Finally, we have developed an application using our model to simulate pedestrian dynamical behavior in several normal or non-panic scenarios, including a single-exit room, a hallway with obstacles, and a narrowing passage. The effectiveness of the proposed model is validated with a user study. The results show that the proposed model can generate more reasonable and heterogeneous behavior in the simulation and indicate that individual personality has a noticeable effect on pedestrian dynamical behavior.

  7. Phase behavior and reactive transport of partial melt in heterogeneous mantle model

    Science.gov (United States)

    Jordan, J.; Hesse, M. A.

    2013-12-01

    The reactive transport of partial melt is the key process that leads to the chemical and physical differentiation of terrestrial planets and smaller celestial bodies. The essential role of the lithological heterogeneities during partial melting of the mantle is increasingly recognized. How far can enriched melts propagate while interacting with the ambient mantle? Can the melt flow emanating from a fertile heterogeneity be localized through a reactive infiltration feedback in a model without exogenous factors or contrived initial conditions? A full understanding of the role of heterogeneities requires reactive melt transport models that account for the phase behavior of major elements. Previous work on reactive transport in the mantle focuses on trace element partitioning; we present the first nonlinear chromatographic analysis of reactive melt transport in systems with binary solid solution. Our analysis shows that reactive melt transport in systems with binary solid solution leads to the formation of two separate reaction fronts: a slow melting/freezing front along which enthalpy change is dominant and a fast dissolution/precipitation front along which compositional changes are dominated by an ion-exchange process over enthalpy change. An intermediate state forms between these two fronts with a bulk-rock composition and enthalpy that are not necessarily bounded by the bulk-rock composition and enthalpy of either the enriched heterogeneity or the depleted ambient mantle. The formation of this intermediate state makes it difficult to anticipate the porosity changes and hence the stability of reaction fronts. Therefore, we develop a graphical representation for the solution that allows identification of the intermediate state by inspection, for all possible bulk-rock compositions and enthalpies of the heterogeneity and the ambient mantle. We apply the analysis to the partial melting of an enriched heterogeneity. This leads to the formation of moving precipitation

  8. 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.

  9. A detailed approach to model transport, heterogeneous chemistry, and electrochemistry in solid-oxide fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Janardhanan, V.

    2007-07-01

    This dissertation layes out detailed descriptions for heterogeneous chemistry, electrochemistry, and porous media transport models to simulate solid oxide fuel cells (SOFCs). An elementary like heterogeneous reaction mechanism for the steam reforming of CH4 developed in our research group is used throughout this work. Based on assumption of hydrogen oxidation as the only electrochemical reaction and single step electron transfer reaction as rate limiting, a modified Butler-Volmer equation is used to model the electrochemistry. The pertinence of various porous media transport models such as Modified Fick Model (MFM), Dusty Gas Model (DGM), Mean Transport Pore Model, Modified Maxwell Stefan Model, and Generalized Maxwell Stefan Model under reaction conditions are studied. In general MFM and DGM predictions are in good agreement with experimental data. Physically realistic electrochemical model parameters are very important for fuel cell modeling. Button cell simulations are carried out to deduce the electrochemical model parameters, and those parameters are further used in the modeling of planar cells. Button cell simulations are carried out using the commercial CFD code FLUENT coupled with DETCHEM. For all temperature ranges the model works well in predicting the experimental observations in the high current density region. However, the model predicts much higher open circuit potentials than that observed in the experiments, mainly due to the absence of coking model in the elementary heterogeneous mechanism leading to nonequilibrium compositions. Furthermore, the study presented here employs Nernst equation for the calculation of reversible potential which is strictly valid only for electrochemical equilibrium. It is assumed that the electrochemical charge transfer reaction involving H2 is fast enough to be in equilibrium. However, the comparison of model prediction with thermodynamic equilibrium reveals that this assumption is violated under very low current

  10. 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....

  11. Coexistence of equilibria in a New Keynesian model with heterogeneous beliefs

    International Nuclear Information System (INIS)

    Agliari, Anna; Pecora, Nicolò; Spelta, Alessandro

    2015-01-01

    The recent macroeconomic literature has been stressing the importance of considering heterogeneous expectations while addressing monetary policy. In this paper we consider a standard New Keynesian model, described by a two-dimensional nonlinear map, to analyze the bifurcation structure when agents have heterogeneous expectations and update their beliefs based on past performance. Depending on the degree of reactivity of the monetary policy to inflation and output deviations from the target equilibrium, different kind of dynamics may occur. We find that multiple equilibria and complicated dynamics, associated to codimension-2 bifurcations, may arise even if the monetary policy is set to respond more than point for point to inflation, as the Taylor principle prescribes. We show that if the monetary policy accommodates for a sufficient degree of output stabilization, complicated dynamics can be avoided and the number of coexisting equilibria reduces.

  12. Modelling the collective response of heterogeneous cell populations to stationary gradients and chemical signal relay

    Science.gov (United States)

    Pineda, M.; Eftimie, R.

    2017-12-01

    The directed motion of cell aggregates toward a chemical source occurs in many relevant biological processes. Understanding the mechanisms that control this complex behavior is of great relevance for our understanding of developmental biological processes and many diseases. In this paper, we consider a self-propelled particle model for the movement of heterogeneous subpopulations of chemically interacting cells towards an imposed stable chemical gradient. Our simulations show explicitly how self-organisation of cell populations (which could lead to engulfment or complete cell segregation) can arise from the heterogeneity of chemotactic responses alone. This new result complements current theoretical and experimental studies that emphasise the role of differential cell-cell adhesion on self-organisation and spatial structure of cellular aggregates. We also investigate how the speed of individual cell aggregations increases with the chemotactic sensitivity of the cells, and decreases with the number of cells inside the aggregates

  13. Modeling of heterogeneous elastic materials by the multiscale hp-adaptive finite element method

    Science.gov (United States)

    Klimczak, Marek; Cecot, Witold

    2018-01-01

    We present an enhancement of the multiscale finite element method (MsFEM) by combining it with the hp-adaptive FEM. Such a discretization-based homogenization technique is a versatile tool for modeling heterogeneous materials with fast oscillating elasticity coefficients. No assumption on periodicity of the domain is required. In order to avoid direct, so-called overkill mesh computations, a coarse mesh with effective stiffness matrices is used and special shape functions are constructed to account for the local heterogeneities at the micro resolution. The automatic adaptivity (hp-type at the macro resolution and h-type at the micro resolution) increases efficiency of computation. In this paper details of the modified MsFEM are presented and a numerical test performed on a Fichera corner domain is presented in order to validate the proposed approach.

  14. 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)

  15. A membrane model for cytosolic calcium oscillations. A study using Xenopus oocytes.

    OpenAIRE

    Jafri, M S; Vajda, S; Pasik, P; Gillo, B

    1992-01-01

    Cytosolic calcium oscillations occur in a wide variety of cells and are involved in different cellular functions. We describe these calcium oscillations by a mathematical model based on the putative electrophysiological properties of the endoplasmic reticulum (ER) membrane. The salient features of our membrane model are calcium-dependent calcium channels and calcium pumps in the ER membrane, constant entry of calcium into the cytosol, calcium dependent removal from the cytosol, and buffering ...

  16. Quantifying geological uncertainty for flow and transport modeling in multi-modal heterogeneous formations

    Science.gov (United States)

    Feyen, Luc; Caers, Jef

    2006-06-01

    In this work, we address the problem of characterizing the heterogeneity and uncertainty of hydraulic properties for complex geological settings. Hereby, we distinguish between two scales of heterogeneity, namely the hydrofacies structure and the intrafacies variability of the hydraulic properties. We employ multiple-point geostatistics to characterize the hydrofacies architecture. The multiple-point statistics are borrowed from a training image that is designed to reflect the prior geological conceptualization. The intrafacies variability of the hydraulic properties is represented using conventional two-point correlation methods, more precisely, spatial covariance models under a multi-Gaussian spatial law. We address the different levels and sources of uncertainty in characterizing the subsurface heterogeneity, and explore their effect on groundwater flow and transport predictions. Typically, uncertainty is assessed by way of many images, termed realizations, of a fixed statistical model. However, in many cases, sampling from a fixed stochastic model does not adequately represent the space of uncertainty. It neglects the uncertainty related to the selection of the stochastic model and the estimation of its input parameters. We acknowledge the uncertainty inherent in the definition of the prior conceptual model of aquifer architecture and in the estimation of global statistics, anisotropy, and correlation scales. Spatial bootstrap is used to assess the uncertainty of the unknown statistical parameters. As an illustrative example, we employ a synthetic field that represents a fluvial setting consisting of an interconnected network of channel sands embedded within finer-grained floodplain material. For this highly non-stationary setting we quantify the groundwater flow and transport model prediction uncertainty for various levels of hydrogeological uncertainty. Results indicate the importance of accurately describing the facies geometry, especially for transport

  17. An open, object-based modeling approach for simulating subsurface heterogeneity

    Science.gov (United States)

    Bennett, J.; Ross, M.; Haslauer, C. P.; Cirpka, O. A.

    2017-12-01

    Characterization of subsurface heterogeneity with respect to hydraulic and geochemical properties is critical in hydrogeology as their spatial distribution controls groundwater flow and solute transport. Many approaches of characterizing subsurface heterogeneity do not account for well-established geological concepts about the deposition of the aquifer materials; those that do (i.e. process-based methods) often require forcing parameters that are difficult to derive from site observations. We have developed a new method for simulating subsurface heterogeneity that honors concepts of sequence stratigraphy, resolves fine-scale heterogeneity and anisotropy of distributed parameters, and resembles observed sedimentary deposits. The method implements a multi-scale hierarchical facies modeling framework based on architectural element analysis, with larger features composed of smaller sub-units. The Hydrogeological Virtual Reality simulator (HYVR) simulates distributed parameter models using an object-based approach. Input parameters are derived from observations of stratigraphic morphology in sequence type-sections. Simulation outputs can be used for generic simulations of groundwater flow and solute transport, and for the generation of three-dimensional training images needed in applications of multiple-point geostatistics. The HYVR algorithm is flexible and easy to customize. The algorithm was written in the open-source programming language Python, and is intended to form a code base for hydrogeological researchers, as well as a platform that can be further developed to suit investigators' individual needs. This presentation will encompass the conceptual background and computational methods of the HYVR algorithm, the derivation of input parameters from site characterization, and the results of groundwater flow and solute transport simulations in different depositional settings.

  18. A Bio-Inspired QoS-Oriented Handover Model in Heterogeneous Wireless Networks

    Directory of Open Access Journals (Sweden)

    Daxin Tian

    2014-01-01

    Full Text Available We propose a bio-inspired model for making handover decision in heterogeneous wireless networks. It is based on an extended attractor selection model, which is biologically inspired by the self-adaptability and robustness of cellular response to the changes in dynamic environments. The goal of the proposed model is to guarantee multiple terminals’ satisfaction by meeting the QoS requirements of those terminals’ applications, and this model also attempts to ensure the fairness of network resources allocation, in the meanwhile, to enable the QoS-oriented handover decision adaptive to dynamic wireless environments. Some numerical simulations are preformed to validate our proposed bio-inspired model in terms of adaptive attractor selection in different noisy environments. And the results of some other simulations prove that the proposed handover scheme can adapt terminals’ network selection to the varying wireless environment and benefits the QoS of multiple terminal applications simultaneously and automatically. Furthermore, the comparative analysis also shows that the bio-inspired model outperforms the utility function based handover decision scheme in terms of ensuring a better QoS satisfaction and a better fairness of network resources allocation in dynamic heterogeneous wireless networks.

  19. Nanolithographic Fabrication and Heterogeneous Reaction Studies ofTwo-Dimensional Platinum Model Catalyst Systems

    Energy Technology Data Exchange (ETDEWEB)

    Contreras, Anthony Marshall [Univ. of California, Berkeley, CA (United States)

    2006-05-20

    In order to better understand the fundamental components that govern catalytic activity, two-dimensional model platinum nanocatalyst arrays have been designed and fabricated. These catalysts arrays are meant to model the interplay of the metal and support important to industrial heterogeneous catalytic reactions. Photolithography and sub-lithographic techniques such as electron beam lithography, size reduction lithography and nanoimprint lithography have been employed to create these platinum nanoarrays. Both in-situ and ex-situ surface science techniques and catalytic reaction measurements were used to correlate the structural parameters of the system to catalytic activity.

  20. Towards a Complete Model for Software Component Deployment on Heterogeneous Platform

    Directory of Open Access Journals (Sweden)

    Švogor Ivan

    2014-12-01

    Full Text Available This report briefly describes an ongoing research related to optimization of allocating software components to heterogeneous computing platform (which includes CPU, GPU and FPGA. Research goal is also presented, along with current hot topics of the research area, related research teams, and finally results and contribution of my research. It involves mathematical modelling which results in goal function, optimization method which finds a suboptimal solution to the goal function and a software modeling tool which enables graphical representation of the problem at hand and help developers determine component placement in the system design phase.

  1. A hierarchy of models for simulating experimental results from a 3D heterogeneous porous medium

    Science.gov (United States)

    Vogler, Daniel; Ostvar, Sassan; Paustian, Rebecca; Wood, Brian D.

    2018-04-01

    In this work we examine the dispersion of conservative tracers (bromide and fluorescein) in an experimentally-constructed three-dimensional dual-porosity porous medium. The medium is highly heterogeneous (σY2 = 5.7), and consists of spherical, low-hydraulic-conductivity inclusions embedded in a high-hydraulic-conductivity matrix. The bimodal medium was saturated with tracers, and then flushed with tracer-free fluid while the effluent breakthrough curves were measured. The focus for this work is to examine a hierarchy of four models (in the absence of adjustable parameters) with decreasing complexity to assess their ability to accurately represent the measured breakthrough curves. The most information-rich model was (1) a direct numerical simulation of the system in which the geometry, boundary and initial conditions, and medium properties were fully independently characterized experimentally with high fidelity. The reduced-information models included; (2) a simplified numerical model identical to the fully-resolved direct numerical simulation (DNS) model, but using a domain that was one-tenth the size; (3) an upscaled mobile-immobile model that allowed for a time-dependent mass-transfer coefficient; and, (4) an upscaled mobile-immobile model that assumed a space-time constant mass-transfer coefficient. The results illustrated that all four models provided accurate representations of the experimental breakthrough curves as measured by global RMS error. The primary component of error induced in the upscaled models appeared to arise from the neglect of convection within the inclusions. We discuss the necessity to assign value (via a utility function or other similar method) to outcomes if one is to further select from among model options. Interestingly, these results suggested that the conventional convection-dispersion equation, when applied in a way that resolves the heterogeneities, yields models with high fidelity without requiring the imposition of a more

  2. Effects of farm heterogeneity and methods for upscaling on modelled nitrogen losses in agricultural landscapes

    Energy Technology Data Exchange (ETDEWEB)

    Dalgaard, T., E-mail: tommy.dalgaard@agrsci.dk [Aarhus University, Department of Agroecology, Blichers Alle 20, P.O. Box 50, DK-8830 Tjele (Denmark); Hutchings, N. [Aarhus University, Department of Agroecology, Blichers Alle 20, P.O. Box 50, DK-8830 Tjele (Denmark); Dragosits, U. [CEH Edinburgh, Bush Estate, Penicuik, Midlothian EH26 0QB, Scotland (United Kingdom); Olesen, J.E.; Kjeldsen, C. [Aarhus University, Department of Agroecology, Blichers Alle 20, P.O. Box 50, DK-8830 Tjele (Denmark); Drouet, J.L.; Cellier, P. [INRA, UMR Environnement et Grandes Cultures, BP 01, 78850 Thiverval-Grignon (France)

    2011-11-15

    The aim of this study is to illustrate the importance of farm scale heterogeneity on nitrogen (N) losses in agricultural landscapes. Results are exemplified with a chain of N models calculating farm-N balances and distributing the N-surplus to N-losses (volatilisation, denitrification, leaching) and soil-N accumulation/release in a Danish landscape. Possible non-linearities in upscaling are assessed by comparing average model results based on (i) individual farm level calculations and (ii) averaged inputs at landscape level. Effects of the non-linearities that appear when scaling up from farm to landscape are demonstrated. Especially in relation to ammonia losses the non-linearity between livestock density and N-loss is significant (p > 0.999), with around 20-30% difference compared to a scaling procedure not taking this non-linearity into account. A significant effect of farm type on soil N accumulation (p > 0.95) was also identified and needs to be included when modelling landscape level N-fluxes and greenhouse gas emissions. - Highlights: > Farm-N balances and the distribution on types of N-losses are modelled for 56 farms. > Farm type significantly affects N-losses and soil-N accumulation. > A non-linear relation between livestock density and ammonia loss is identified. > Approaches for upscaling from farm to landscape level are discussed. > Accounting farm heterogeneity is important when upscaling N-losses. - This study illustrates the importance of including non-linear effects of farm and landscape heterogeneity on the modelling and upscaling of farm nitrogen losses and greenhouse gas emissions in agricultural landscapes.

  3. Effects of farm heterogeneity and methods for upscaling on modelled nitrogen losses in agricultural landscapes

    International Nuclear Information System (INIS)

    Dalgaard, T.; Hutchings, N.; Dragosits, U.; Olesen, J.E.; Kjeldsen, C.; Drouet, J.L.; Cellier, P.

    2011-01-01

    The aim of this study is to illustrate the importance of farm scale heterogeneity on nitrogen (N) losses in agricultural landscapes. Results are exemplified with a chain of N models calculating farm-N balances and distributing the N-surplus to N-losses (volatilisation, denitrification, leaching) and soil-N accumulation/release in a Danish landscape. Possible non-linearities in upscaling are assessed by comparing average model results based on (i) individual farm level calculations and (ii) averaged inputs at landscape level. Effects of the non-linearities that appear when scaling up from farm to landscape are demonstrated. Especially in relation to ammonia losses the non-linearity between livestock density and N-loss is significant (p > 0.999), with around 20-30% difference compared to a scaling procedure not taking this non-linearity into account. A significant effect of farm type on soil N accumulation (p > 0.95) was also identified and needs to be included when modelling landscape level N-fluxes and greenhouse gas emissions. - Highlights: → Farm-N balances and the distribution on types of N-losses are modelled for 56 farms. → Farm type significantly affects N-losses and soil-N accumulation. → A non-linear relation between livestock density and ammonia loss is identified. → Approaches for upscaling from farm to landscape level are discussed. → Accounting farm heterogeneity is important when upscaling N-losses. - This study illustrates the importance of including non-linear effects of farm and landscape heterogeneity on the modelling and upscaling of farm nitrogen losses and greenhouse gas emissions in agricultural landscapes.

  4. Modelling the interactions between animal venom peptides and membrane proteins.

    Science.gov (United States)

    Hung, Andrew; Kuyucak, Serdar; Schroeder, Christina I; Kaas, Quentin

    2017-12-01

    The active components of animal venoms are mostly peptide toxins, which typically target ion channels and receptors of both the central and peripheral nervous system, interfering with action potential conduction and/or synaptic transmission. The high degree of sequence conservation of their molecular targets makes a range of these toxins active at human receptors. The high selectivity and potency displayed by some of these toxins have prompted their use as pharmacological tools as well as drugs or drug leads. Molecular modelling has played an essential role in increasing our molecular-level understanding of the activity and specificity of animal toxins, as well as engineering them for biotechnological and pharmaceutical applications. This review focuses on the biological insights gained from computational and experimental studies of animal venom toxins interacting with membranes and ion channels. A host of recent X-ray crystallography and electron-microscopy structures of the toxin targets has contributed to a dramatic increase in the accuracy of the molecular models of toxin binding modes greatly advancing this exciting field of study. This article is part of the Special Issue entitled 'Venom-derived Peptides as Pharmacological Tools.' Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. Interactions of a Photochromic Spiropyran with Liposome Model Membranes

    KAUST Repository

    Jonsson, Fabian; Beke-Somfai, Tamá s; André asson, Joakim; Nordé n, Bengt

    2013-01-01

    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

  6. Seismic Modeling Of Reservoir Heterogeneity Scales: An Application To Gas Hydrate Reservoirs

    Science.gov (United States)

    Huang, J.; Bellefleur, G.; Milkereit, B.

    2008-12-01

    Natural gas hydrates, a type of inclusion compound or clathrate, are composed of gas molecules trapped within a cage of water molecules. The occurrence of gas hydrates in permafrost regions has been confirmed by core samples recovered from the Mallik gas hydrate research wells located within Mackenzie Delta in Northwest Territories of Canada. Strong vertical variations of compressional and shear sonic velocities and weak surface seismic expressions of gas hydrates indicate that lithological heterogeneities control the distribution of hydrates. Seismic scattering studies predict that typical scales and strong physical contrasts due to gas hydrate concentration will generate strong forward scattering, leaving only weak energy captured by surface receivers. In order to understand the distribution of hydrates and the seismic scattering effects, an algorithm was developed to construct heterogeneous petrophysical reservoir models. The algorithm was based on well logs showing power law features and Gaussian or Non-Gaussian probability density distribution, and was designed to honor the whole statistical features of well logs such as the characteristic scales and the correlation among rock parameters. Multi-dimensional and multi-variable heterogeneous models representing the same statistical properties were constructed and applied to the heterogeneity analysis of gas hydrate reservoirs. The petrophysical models provide the platform to estimate rock physics properties as well as to study the impact of seismic scattering, wave mode conversion, and their integration on wave behavior in heterogeneous reservoirs. Using the Biot-Gassmann theory, the statistical parameters obtained from Mallik 5L-38, and the correlation length estimated from acoustic impedance inversion, gas hydrate volume fraction in Mallik area was estimated to be 1.8%, approximately 2x108 m3 natural gas stored in a hydrate bearing interval within 0.25 km2 lateral extension and between 889 m and 1115 m depth

  7. 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...

  8. Hot News Recommendation System from Heterogeneous Websites Based on Bayesian Model

    Directory of Open Access Journals (Sweden)

    Zhengyou Xia

    2014-01-01

    Full Text Available The most current news recommendations are suitable for news which comes from a single news website, not for news from different heterogeneous news websites. Previous researches about news recommender systems based on different strategies have been proposed to provide news personalization services for online news readers. However, little research work has been reported on utilizing hundreds of heterogeneous news websites to provide top hot news services for group customers (e.g., government staffs. In this paper, we propose a hot news recommendation model based on Bayesian model, which is from hundreds of different news websites. In the model, we determine whether the news is hot news by calculating the joint probability of the news. We evaluate and compare our proposed recommendation model with the results of human experts on the real data sets. Experimental results demonstrate the reliability and effectiveness of our method. We also implement this model in hot news recommendation system of Hangzhou city government in year 2013, which achieves very good results.

  9. Hot news recommendation system from heterogeneous websites based on bayesian model.

    Science.gov (United States)

    Xia, Zhengyou; Xu, Shengwu; Liu, Ningzhong; Zhao, Zhengkang

    2014-01-01

    The most current news recommendations are suitable for news which comes from a single news website, not for news from different heterogeneous news websites. Previous researches about news recommender systems based on different strategies have been proposed to provide news personalization services for online news readers. However, little research work has been reported on utilizing hundreds of heterogeneous news websites to provide top hot news services for group customers (e.g., government staffs). In this paper, we propose a hot news recommendation model based on Bayesian model, which is from hundreds of different news websites. In the model, we determine whether the news is hot news by calculating the joint probability of the news. We evaluate and compare our proposed recommendation model with the results of human experts on the real data sets. Experimental results demonstrate the reliability and effectiveness of our method. We also implement this model in hot news recommendation system of Hangzhou city government in year 2013, which achieves very good results.

  10. Large-scale Modeling of Nitrous Oxide Production: Issues of Representing Spatial Heterogeneity

    Science.gov (United States)

    Morris, C. K.; Knighton, J.

    2017-12-01

    Nitrous oxide is produced from the biological processes of nitrification and denitrification in terrestrial environments and contributes to the greenhouse effect that warms Earth's climate. Large scale modeling can be used to determine how global rate of nitrous oxide production and consumption will shift under future climates. However, accurate modeling of nitrification and denitrification is made difficult by highly parameterized, nonlinear equations. Here we show that the representation of spatial heterogeneity in inputs, specifically soil moisture, causes inaccuracies in estimating the average nitrous oxide production in soils. We demonstrate that when soil moisture is averaged from a spatially heterogeneous surface, net nitrous oxide production is under predicted. We apply this general result in a test of a widely-used global land surface model, the Community Land Model v4.5. The challenges presented by nonlinear controls on nitrous oxide are highlighted here to provide a wider context to the problem of extraordinary denitrification losses in CLM. We hope that these findings will inform future researchers on the possibilities for model improvement of the global nitrogen cycle.

  11. 3D bioprinting: improving in vitro models of metastasis with heterogeneous tumor microenvironments

    Directory of Open Access Journals (Sweden)

    Jacob L. Albritton

    2017-01-01

    Full Text Available Even with many advances in treatment over the past decades, cancer still remains a leading cause of death worldwide. Despite the recognized relationship between metastasis and increased mortality rate, surprisingly little is known about the exact mechanism of metastatic progression. Currently available in vitro models cannot replicate the three-dimensionality and heterogeneity of the tumor microenvironment sufficiently to recapitulate many of the known characteristics of tumors in vivo. Our understanding of metastatic progression would thus be boosted by the development of in vitro models that could more completely capture the salient features of cancer biology. Bioengineering groups have been working for over two decades to create in vitro microenvironments for application in regenerative medicine and tissue engineering. Over this time, advances in 3D printing technology and biomaterials research have jointly led to the creation of 3D bioprinting, which has improved our ability to develop in vitro models with complexity approaching that of the in vivo tumor microenvironment. In this Review, we give an overview of 3D bioprinting methods developed for tissue engineering, which can be directly applied to constructing in vitro models of heterogeneous tumor microenvironments. We discuss considerations and limitations associated with 3D printing and highlight how these advances could be harnessed to better model metastasis and potentially guide the development of anti-cancer strategies.

  12. 3D bioprinting: improving in vitro models of metastasis with heterogeneous tumor microenvironments.

    Science.gov (United States)

    Albritton, Jacob L; Miller, Jordan S

    2017-01-01

    Even with many advances in treatment over the past decades, cancer still remains a leading cause of death worldwide. Despite the recognized relationship between metastasis and increased mortality rate, surprisingly little is known about the exact mechanism of metastatic progression. Currently available in vitro models cannot replicate the three-dimensionality and heterogeneity of the tumor microenvironment sufficiently to recapitulate many of the known characteristics of tumors in vivo Our understanding of metastatic progression would thus be boosted by the development of in vitro models that could more completely capture the salient features of cancer biology. Bioengineering groups have been working for over two decades to create in vitro microenvironments for application in regenerative medicine and tissue engineering. Over this time, advances in 3D printing technology and biomaterials research have jointly led to the creation of 3D bioprinting, which has improved our ability to develop in vitro models with complexity approaching that of the in vivo tumor microenvironment. In this Review, we give an overview of 3D bioprinting methods developed for tissue engineering, which can be directly applied to constructing in vitro models of heterogeneous tumor microenvironments. We discuss considerations and limitations associated with 3D printing and highlight how these advances could be harnessed to better model metastasis and potentially guide the development of anti-cancer strategies. © 2017. Published by The Company of Biologists Ltd.

  13. Effect of phospholipid metabolites on model membrane fusion

    Energy Technology Data Exchange (ETDEWEB)

    Shragin, A.S.; Vasilenko, I.A.; Selishcheva, A.A.; Shvets, V.I.

    1985-01-01

    /sup 31/P-NMR spectroscopy and formation of fluorescent complexes between Tb/sup 3 +/ and dipicolinic acid were used to monitor liposome fusion and the effects of phospholipases C and D on the process. Phospholipase C was found highly efficient in initiating liposomal fusion, regardless of the phospholipid composition of the bilayer membranes. However, phospholipase D promoted liposomal fusion only in cases in which the membranes contained high concentrations of phospholipids incapable of forming bilayer membranes, such as phosphatidylethanolamine and cardiolipin. The mechanism of action of both enzymes in promoting liposomal fusion was ascribed to the generation of a metastable state in the membranes as a result of enzymatic formation of lipophilic metabolites 1,2-diacylglycerol and phosphatidic acid. The perturbation, or fluidity, of the liposomal membranes favored fusion on contact. 21 references, 4 figures.

  14. Influence investigation of a void region on modeling light propagation in a heterogeneous medium.

    Science.gov (United States)

    Yang, Defu; Chen, Xueli; Ren, Shenghan; Qu, Xiaochao; Tian, Jie; Liang, Jimin

    2013-01-20

    A void region exists in some biological tissues, and previous studies have shown that inaccurate images would be obtained if it were not processed. A hybrid radiosity-diffusion method (HRDM) that couples the radiosity theory and the diffusion equation has been proposed to deal with the void problem and has been well demonstrated in two-dimensional and three-dimensional (3D) simple models. However, the extent of the impact of the void region on the accuracy of modeling light propagation has not been investigated. In this paper, we first implemented and verified the HRDM in 3D models, including both the regular geometries and a digital mouse model, and then investigated the influences of the void region on modeling light propagation in a heterogeneous medium. Our investigation results show that the influence of the region can be neglected when the size of the void is less than a certain range, and other cases must be taken into account.

  15. Cascaded analysis of signal and noise propagation through a heterogeneous breast model

    International Nuclear Information System (INIS)

    Mainprize, James G.; Yaffe, Martin J.

    2010-01-01

    Purpose: The detectability of lesions in radiographic images can be impaired by patterns caused by the surrounding anatomic structures. The presence of such patterns is often referred to as anatomic noise. Others have previously extended signal and noise propagation theory to include variable background structure as an additional noise term and used in simulations for analysis by human and ideal observers. Here, the analytic forms of the signal and noise transfer are derived to obtain an exact expression for any input random distribution and the ''power law'' filter used to generate the texture of the tissue distribution. Methods: A cascaded analysis of propagation through a heterogeneous model is derived for x-ray projection through simulated heterogeneous backgrounds. This is achieved by considering transmission through the breast as a correlated amplification point process. The analytic forms of the cascaded analysis were compared to monoenergetic Monte Carlo simulations of x-ray propagation through power law structured backgrounds. Results: As expected, it was found that although the quantum noise power component scales linearly with the x-ray signal, the anatomic noise will scale with the square of the x-ray signal. There was a good agreement between results obtained using analytic expressions for the noise power and those from Monte Carlo simulations for different background textures, random input functions, and x-ray fluence. Conclusions: Analytic equations for the signal and noise properties of heterogeneous backgrounds were derived. These may be used in direct analysis or as a tool to validate simulations in evaluating detectability.

  16. Modelling far field pacing for terminating spiral waves pinned to ischaemic heterogeneities in cardiac tissue

    Science.gov (United States)

    Boccia, E.; Luther, S.

    2017-01-01

    In cardiac tissue, electrical spiral waves pinned to a heterogeneity can be unpinned (and eventually terminated) using electric far field pulses and recruiting the heterogeneity as a virtual electrode. While for isotropic media the process of unpinning is much better understood, the case of an anisotropic substrate with different conductivities in different directions still needs intensive investigation. To study the impact of anisotropy on the unpinning process, we present numerical simulations based on the bidomain formulation of the phase I of the Luo and Rudy action potential model modified due to the occurrence of acute myocardial ischaemia. Simulating a rotating spiral wave pinned to an ischaemic heterogeneity, we compare the success of sequences of far field pulses in the isotropic and the anisotropic case for spirals still in transient or in steady rotation states. Our results clearly indicate that the range of pacing parameters resulting in successful termination of pinned spiral waves is larger in anisotropic tissue than in an isotropic medium. This article is part of the themed issue ‘Mathematical methods in medicine: neuroscience, cardiology and pathology’. PMID:28507234

  17. 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

  18. A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials

    Energy Technology Data Exchange (ETDEWEB)

    Matouš, Karel, E-mail: kmatous@nd.edu [Department of Aerospace and Mechanical Engineering, University of Notre Dame, Notre Dame, IN 46556 (United States); Geers, Marc G.D.; Kouznetsova, Varvara G. [Department of Mechanical Engineering, Eindhoven University of Technology, Eindhoven (Netherlands); Gillman, Andrew [Department of Aerospace and Mechanical Engineering, University of Notre Dame, Notre Dame, IN 46556 (United States)

    2017-02-01

    Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platform in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.

  19. A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials

    International Nuclear Information System (INIS)

    Matouš, Karel; Geers, Marc G.D.; Kouznetsova, Varvara G.; Gillman, Andrew

    2017-01-01

    Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platform in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.

  20. Using Mathematical Modeling Methods for Estimating Entrance Flow Heterogeneity Impact on Aviation GTE Parameters and Performances

    Directory of Open Access Journals (Sweden)

    Yu. A. Ezrokhi

    2017-01-01

    Full Text Available The paper considers methodological approaches to the mathematical models (MM of various levels, dedicated to estimate an impact of the entrance flow heterogeneity on the main parameters and performances of the aviation GTE and it units. By an example of calculation of a twin-shaft turbofan engine in cruiser mode, demonstrates engineering mathematical model capabilities to define the impact of the total pressure field distortion on engine trust and air flow parameters, and also gas dynamic stability margin of the both compressors.It is shown that the presented first level mathematical model allows us to estimate sufficiently the impact of entrance total pressure heterogeneity on the engine parameters. Here reliability of calculations is proved to be true by their comparison with the results, obtained owing to well fulfilled 2D & 3D mathematical models of the engine, which have been repeatedly identified by the results of experiments.It is shown that received results including those on decreasing values of stability margin of both compressors can be used for tentative estimates when choosing a desirable stability margin, providing steady operation of compressors and engine in an entire range of its operating modes. Carrying out a definitive testing calculation using the specialized engine MM of a higher level will not only confirm the results obtained, but also reduce their expected error with regard to the real values reached as a result of tests.

  1. A review of predictive nonlinear theories for multiscale modeling of heterogeneous materials

    Science.gov (United States)

    Matouš, Karel; Geers, Marc G. D.; Kouznetsova, Varvara G.; Gillman, Andrew

    2017-02-01

    Since the beginning of the industrial age, material performance and design have been in the midst of innovation of many disruptive technologies. Today's electronics, space, medical, transportation, and other industries are enriched by development, design and deployment of composite, heterogeneous and multifunctional materials. As a result, materials innovation is now considerably outpaced by other aspects from component design to product cycle. In this article, we review predictive nonlinear theories for multiscale modeling of heterogeneous materials. Deeper attention is given to multiscale modeling in space and to computational homogenization in addressing challenging materials science questions. Moreover, we discuss a state-of-the-art platform in predictive image-based, multiscale modeling with co-designed simulations and experiments that executes on the world's largest supercomputers. Such a modeling framework consists of experimental tools, computational methods, and digital data strategies. Once fully completed, this collaborative and interdisciplinary framework can be the basis of Virtual Materials Testing standards and aids in the development of new material formulations. Moreover, it will decrease the time to market of innovative products.

  2. A Finite Element Solution of Lateral Periodic Poisson–Boltzmann Model for Membrane Channel Proteins

    Science.gov (United States)

    Xu, Jingjie; Lu, Benzhuo

    2018-01-01

    Membrane channel proteins control the diffusion of ions across biological membranes. They are closely related to the processes of various organizational mechanisms, such as: cardiac impulse, muscle contraction and hormone secretion. Introducing a membrane region into implicit solvation models extends the ability of the Poisson–Boltzmann (PB) equation to handle membrane proteins. The use of lateral periodic boundary conditions can properly simulate the discrete distribution of membrane proteins on the membrane plane and avoid boundary effects, which are caused by the finite box size in the traditional PB calculations. In this work, we: (1) develop a first finite element solver (FEPB) to solve the PB equation with a two-dimensional periodicity for membrane channel proteins, with different numerical treatments of the singular charges distributions in the channel protein; (2) add the membrane as a dielectric slab in the PB model, and use an improved mesh construction method to automatically identify the membrane channel/pore region even with a tilt angle relative to the z-axis; and (3) add a non-polar solvation energy term to complete the estimation of the total solvation energy of a membrane protein. A mesh resolution of about 0.25 Å (cubic grid space)/0.36 Å (tetrahedron edge length) is found to be most accurate in linear finite element calculation of the PB solvation energy. Computational studies are performed on a few exemplary molecules. The results indicate that all factors, the membrane thickness, the length of periodic box, membrane dielectric constant, pore region dielectric constant, and ionic strength, have individually considerable influence on the solvation energy of a channel protein. This demonstrates the necessity to treat all of those effects in the PB model for membrane protein simulations. PMID:29495644

  3. A Coarse Grained Model for a Lipid Membrane with Physiological Composition and Leaflet Asymmetry.

    Directory of Open Access Journals (Sweden)

    Satyan Sharma

    Full Text Available The resemblance of lipid membrane models to physiological membranes determines how well molecular dynamics (MD simulations imitate the dynamic behavior of cell membranes and membrane proteins. Physiological lipid membranes are composed of multiple types of phospholipids, and the leaflet compositions are generally asymmetric. Here we describe an approach for self-assembly of a Coarse-Grained (CG membrane model with physiological composition and leaflet asymmetry using the MARTINI force field. An initial set-up of two boxes with different types of lipids according to the leaflet asymmetry of mammalian cell membranes stacked with 0.5 nm overlap, reliably resulted in the self-assembly of bilayer membranes with leaflet asymmetry resembling that of physiological mammalian cell membranes. Self-assembly in the presence of a fragment of the plasma membrane protein syntaxin 1A led to spontaneous specific positioning of phosphatidylionositol(4,5bisphosphate at a positively charged stretch of syntaxin consistent with experimental data. An analogous approach choosing an initial set-up with two concentric shells filled with different lipid types results in successful assembly of a spherical vesicle with asymmetric leaflet composition. Self-assembly of the vesicle in the presence of the synaptic vesicle protein synaptobrevin 2 revealed the correct position of the synaptobrevin transmembrane domain. This is the first CG MD method to form a membrane with physiological lipid composition as well as leaflet asymmetry by self-assembly and will enable unbiased studies of the incorporation and dynamics of membrane proteins in more realistic CG membrane models.

  4. Model determination in a case of heterogeneity of variance using sampling techniques.

    Science.gov (United States)

    Varona, L; Moreno, C; Garcia-Cortes, L A; Altarriba, J

    1997-01-12

    A sampling determination procedure has been described in a case of heterogeneity of variance. The procedure makes use of the predictive distributions of each data given the rest of the data and the structure of the assumed model. The computation of these predictive distributions is carried out using a Gibbs Sampling procedure. The final criterion to compare between models is the Mean Square Error between the expectation of predictive distributions and real data. The procedure has been applied to a data set of weight at 210 days in the Spanish Pirenaica beef cattle breed. Three proposed models have been compared: (a) Single Trait Animal Model; (b) Heterogeneous Variance Animal Model; and (c) Multiple Trait Animal Model. After applying the procedure, the most adjusted model was the Heterogeneous Variance Animal Model. This result is probably due to a compromise between the complexity of the model and the amount of available information. The estimated heritabilities under the preferred model have been 0.489 ± 0.076 for males and 0.331 ± 0.082 for females. RESUMEN: Contraste de modelos en un caso de heterogeneidad de varianzas usando métodos de muestreo Se ha descrito un método de contraste de modelos mediante técnicas de muestreo en un caso de heterogeneidad de varianza entre sexos. El procedimiento utiliza las distribucviones predictivas de cada dato, dado el resto de datos y la estructura del modelo. El criterio para coparar modelos es el error cuadrático medio entre la esperanza de las distribuciones predictivas y los datos reales. El procedimiento se ha aplicado en datos de peso a los 210 días en la raza bovina Pirenaica. Se han propuesto tres posibles modelos: (a) Modelo Animal Unicaracter; (b) Modelo Animal con Varianzas Heterogéneas; (c) Modelo Animal Multicaracter. El modelo mejor ajustado fue el Modelo Animal con Varianzas Heterogéneas. Este resultado es probablemente debido a un compromiso entre la complejidad del modelo y la cantidad de datos

  5. Distribution of macular xanthophylls between domains in a model of photoreceptor outer segment membranes.

    Science.gov (United States)

    Wisniewska, Anna; Subczynski, Witold K

    2006-10-15

    A model of photoreceptor outer segment (POS) membranes has been proposed, consisting of an equimolar ternary mixture of 1-palmitoyl-2-docosahexaenoylphosphatidylcholine/distearoylphosphatidylcholine/cholesterol. It was shown that, as in membranes made from the raft-forming mixture, in the model of POS membranes, two domains are formed: the raft domain (detergent resistant membranes, DRM), and the bulk domain (detergent soluble membranes, DSM). Saturation-recovery EPR discrimination by oxygen transport method also demonstrated the presence of two domains in this model system in situ at a wide range of temperatures (10-55 degrees C), showing additionally that neither lutein nor zeaxanthin at 1 mol% affect the formation of these domains. These membrane domains have been separated using cold Triton X-100 extraction from a model of POS membranes containing 1 mol% of either lutein or zeaxanthin. The results indicated that the macular xanthophylls lutein and zeaxanthin are substantially excluded from DRM and remain concentrated in DSM, a domain enriched in highly unsaturated docosahexaenoyl acid which is abundant in retina membranes. The concentration of xanthophylls in DRM and DSM calculated as the mol ratio of either xanthophyll to total lipid (phospholipid+cholesterol) was 0.0028 and 0.0391, respectively. Thus, xanthophylls are about 14 times more concentrated in DSM than in DRM. No significant difference in the distribution of lutein and zeaxanthin was found. The obtained results suggest that in POS membranes macular xanthophylls should also be concentrated in domains enriched in polyunsaturated chains.

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

    KAUST Repository

    Lee, Jung Gil; Lee, Eui-Jong; Jeong, Sanghyun; Guo, Jiaxin; An, Alicia Kyoungjin; Guo, Hong; Kim, Joonha; Leiknes, TorOve; Ghaffour, NorEddine

    2016-01-01

    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.

  7. 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.

  8. A novel game theoretic approach for modeling competitive information diffusion in social networks with heterogeneous nodes

    Science.gov (United States)

    Agha Mohammad Ali Kermani, Mehrdad; Fatemi Ardestani, Seyed Farshad; Aliahmadi, Alireza; Barzinpour, Farnaz

    2017-01-01

    Influence maximization deals with identification of the most influential nodes in a social network given an influence model. In this paper, a game theoretic framework is developed that models a competitive influence maximization problem. A novel competitive influence model is additionally proposed that incorporates user heterogeneity, message content, and network structure. The proposed game-theoretic model is solved using Nash Equilibrium in a real-world dataset. It is shown that none of the well-known strategies are stable and at least one player has the incentive to deviate from the proposed strategy. Moreover, violation of Nash equilibrium strategy by each player leads to their reduced payoff. Contrary to previous works, our results demonstrate that graph topology, as well as the nodes' sociability and initial tendency measures have an effect on the determination of the influential node in the network.

  9. Comparisons of remotely sensed and model-simulated soil moisture over a heterogenous watershed

    International Nuclear Information System (INIS)

    Lin, D.S.; Wood, E.F.; Troch, P.A.; Mancini, M.; Jackson, T.J.

    1994-01-01

    Soil moisture estimates from a distributed hydrologic model and two microwave airborne sensors (Push Broom Microwave Radiometer and Synthetic Aperture Radar) are compared with ground measurements on two different scales, using data collected during afield experiment over a 7.4-km 2 heterogeneous watershed located in central Pennsylvania. It is found that both microwave sensors and the hydrologic model successfully reflect the temporal variation of soil moisture. Watershed-averaged soil moistures estimated by the microwave sensors are in good agreement with ground measurements. The hydrologic model initialized by stream flow records yields estimates that are wetter than observations. The preliminary test of utilizing remotely sensed information as a feedback to correct the initial state of the hydrologic model shows promising results. (author)

  10. A statistical model for the wettability of surfaces with heterogeneous pore geometries

    Science.gov (United States)

    Brockway, Lance; Taylor, Hayden

    2016-10-01

    We describe a new approach to modeling the wetting behavior of micro- and nano-textured surfaces with varying degrees of geometrical heterogeneity. Surfaces are modeled as pore arrays with a Gaussian distribution of sidewall reentrant angles and a characteristic wall roughness. Unlike conventional wettability models, our model considers the fraction of a surface’s pores that are filled at any time, allowing us to capture more subtle dependences of a liquid’s apparent contact angle on its surface tension. The model has four fitting parameters and is calibrated for a particular surface by measuring the apparent contact angles between the surface and at least four probe liquids. We have calibrated the model for three heterogeneous nanoporous surfaces that we have fabricated: a hydrothermally grown zinc oxide, a film of polyvinylidene fluoride (PVDF) microspheres formed by spinodal decomposition, and a polytetrafluoroethylene (PTFE) film with pores defined by sacrificial polystyrene microspheres. These three surfaces show markedly different dependences of a liquid’s apparent contact angle on the liquid’s surface tension, and the results can be explained by considering geometric variability. The highly variable PTFE pores yield the most gradual variation of apparent contact angle with probe liquid surface tension. The PVDF microspheres are more regular in diameter and, although connected in an irregular manner, result in a much sharper transition from non-wetting to wetting behavior as surface tension reduces. We also demonstrate, by terminating porous zinc oxide with three alternative hydrophobic molecules, that a single geometrical model can capture a structure’s wetting behavior for multiple surface chemistries and liquids. Finally, we contrast our results with those from a highly regular, lithographically-produced structure which shows an extremely sharp dependence of wettability on surface tension. This new model could be valuable in designing and

  11. 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.

  12. Letter: Modeling reactive shock waves in heterogeneous solids at the continuum level with stochastic differential equations

    Science.gov (United States)

    Kittell, D. E.; Yarrington, C. D.; Lechman, J. B.; Baer, M. R.

    2018-05-01

    A new paradigm is introduced for modeling reactive shock waves in heterogeneous solids at the continuum level. Inspired by the probability density function methods from turbulent reactive flows, it is hypothesized that the unreacted material microstructures lead to a distribution of heat release rates from chemical reaction. Fluctuations in heat release, rather than velocity, are coupled to the reactive Euler equations which are then solved via the Riemann problem. A numerically efficient, one-dimensional hydrocode is used to demonstrate this new approach, and simulation results of a representative impact calculation (inert flyer into explosive target) are discussed.

  13. A comparison of methods for representing random taste heterogeneity in discrete choice models

    DEFF Research Database (Denmark)

    Fosgerau, Mogens; Hess, Stephane

    2009-01-01

    This paper reports the findings of a systematic study using Monte Carlo experiments and a real dataset aimed at comparing the performance of various ways of specifying random taste heterogeneity in a discrete choice model. Specifically, the analysis compares the performance of two recent advanced...... distributions. Both approaches allow the researcher to increase the number of parameters as desired. The paper provides a range of evidence on the ability of the various approaches to recover various distributions from data. The two advanced approaches are comparable in terms of the likelihoods achieved...

  14. Kinetics of heterogeneous chemical reactions: a theoretical model for the accumulation of pesticides in soil.

    Science.gov (United States)

    Lin, S H; Sahai, R; Eyring, H

    1971-04-01

    A theoretical model for the accumulation of pesticides in soil has been proposed and discussed from the viewpoint of heterogeneous reaction kinetics with a basic aim to understand the complex nature of soil processes relating to the environmental pollution. In the bulk of soil, the pesticide disappears by diffusion and a chemical reaction; the rate processes considered on the surface of soil are diffusion, chemical reaction, vaporization, and regular pesticide application. The differential equations involved have been solved analytically by the Laplace-transform method.

  15. New non-linear model of groundwater recharge: Inclusion of memory, heterogeneity and visco-elasticity

    Directory of Open Access Journals (Sweden)

    Spannenberg Jescica

    2017-09-01

    Full Text Available Fractional differentiation has adequate use for investigating real world scenarios related to geological formations associated with elasticity, heterogeneity, viscoelasticity, and the memory effect. Since groundwater systems exist in these geological formations, modelling groundwater recharge as a real world scenario is a challenging task to do because existing recharge estimation methods are governed by linear equations which make use of constant field parameters. This is inadequate because in reality these parameters are a function of both space and time. This study therefore concentrates on modifying the recharge equation governing the EARTH model, by application of the Eton approach. Accordingly, this paper presents a modified equation which is non-linear, and accounts for parameters in a way that it is a function of both space and time. To be more specific, herein, recharge and drainage resistance which are parameters within the equation, became a function of both space and time. Additionally, the study entailed solving the non-linear equation using an iterative method as well as numerical solutions by means of the Crank-Nicolson scheme. The numerical solutions were used alongside the Riemann-Liouville, Caputo-Fabrizio, and Atangana-Baleanu derivatives, so that account was taken for elasticity, heterogeneity, viscoelasticity, and the memory effect. In essence, this paper presents a more adequate model for recharge estimation.

  16. Monte-Carlo model development for evaluation of current clinical target volume definition for heterogeneous and hypoxic glioblastoma.

    Science.gov (United States)

    Moghaddasi, L; Bezak, E; Harriss-Phillips, W

    2016-05-07

    Clinical target volume (CTV) determination may be complex and subjective. In this work a microscopic-scale tumour model was developed to evaluate current CTV practices in glioblastoma multiforme (GBM) external radiotherapy. Previously, a Geant4 cell-based dosimetry model was developed to calculate the dose deposited in individual GBM cells. Microscopic extension probability (MEP) models were then developed using Matlab-2012a. The results of the cell-based dosimetry model and MEP models were combined to calculate survival fractions (SF) for CTV margins of 2.0 and 2.5 cm. In the current work, oxygenation and heterogeneous radiosensitivity profiles were incorporated into the GBM model. The genetic heterogeneity was modelled using a range of α/β values (linear-quadratic model parameters) associated with different GBM cell lines. These values were distributed among the cells randomly, taken from a Gaussian-weighted sample of α/β values. Cellular oxygen pressure was distributed randomly taken from a sample weighted to profiles obtained from literature. Three types of GBM models were analysed: homogeneous-normoxic, heterogeneous-normoxic, and heterogeneous-hypoxic. The SF in different regions of the tumour model and the effect of the CTV margin extension from 2.0-2.5 cm on SFs were investigated for three MEP models. The SF within the beam was increased by up to three and two orders of magnitude following incorporation of heterogeneous radiosensitivities and hypoxia, respectively, in the GBM model. However, the total SF was shown to be overdominated by the presence of tumour cells in the penumbra region and to a lesser extent by genetic heterogeneity and hypoxia. CTV extension by 0.5 cm reduced the SF by a maximum of 78.6  ±  3.3%, 78.5  ±  3.3%, and 77.7  ±  3.1% for homogeneous and heterogeneous-normoxic, and heterogeneous hypoxic GBMs, respectively. Monte-Carlo model was developed to quantitatively evaluate SF for genetically

  17. 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

  18. Longitudinal dispersion coefficients for numerical modeling of groundwater solute transport in heterogeneous formations.

    Science.gov (United States)

    Lee, Jonghyun; Rolle, Massimo; Kitanidis, Peter K

    2017-09-15

    Most recent research on hydrodynamic dispersion in porous media has focused on whole-domain dispersion while other research is largely on laboratory-scale dispersion. This work focuses on the contribution of a single block in a numerical model to dispersion. Variability of fluid velocity and concentration within a block is not resolved and the combined spreading effect is approximated using resolved quantities and macroscopic parameters. This applies whether the formation is modeled as homogeneous or discretized into homogeneous blocks but the emphasis here being on the latter. The process of dispersion is typically described through the Fickian model, i.e., the dispersive flux is proportional to the gradient of the resolved concentration, commonly with the Scheidegger parameterization, which is a particular way to compute the dispersion coefficients utilizing dispersivity coefficients. Although such parameterization is by far the most commonly used in solute transport applications, its validity has been questioned. Here, our goal is to investigate the effects of heterogeneity and mass transfer limitations on block-scale longitudinal dispersion and to evaluate under which conditions the Scheidegger parameterization is valid. We compute the relaxation time or memory of the system; changes in time with periods larger than the relaxation time are gradually leading to a condition of local equilibrium under which dispersion is Fickian. The method we use requires the solution of a steady-state advection-dispersion equation, and thus is computationally efficient, and applicable to any heterogeneous hydraulic conductivity K field without requiring statistical or structural assumptions. The method was validated by comparing with other approaches such as the moment analysis and the first order perturbation method. We investigate the impact of heterogeneity, both in degree and structure, on the longitudinal dispersion coefficient and then discuss the role of local dispersion

  19. Membrane-elasticity model of Coatless vesicle budding induced by ESCRT complexes.

    Directory of Open Access Journals (Sweden)

    Bartosz Różycki

    Full Text Available The formation of vesicles is essential for many biological processes, in particular for the trafficking of membrane proteins within cells. The Endosomal Sorting Complex Required for Transport (ESCRT directs membrane budding away from the cytosol. Unlike other vesicle formation pathways, the ESCRT-mediated budding occurs without a protein coat. Here, we propose a minimal model of ESCRT-induced vesicle budding. Our model is based on recent experimental observations from direct fluorescence microscopy imaging that show ESCRT proteins colocalized only in the neck region of membrane buds. The model, cast in the framework of membrane elasticity theory, reproduces the experimentally observed vesicle morphologies with physically meaningful parameters. In this parameter range, the minimum energy configurations of the membrane are coatless buds with ESCRTs localized in the bud neck, consistent with experiment. The minimum energy configurations agree with those seen in the fluorescence images, with respect to both bud shapes and ESCRT protein localization. On the basis of our model, we identify distinct mechanistic pathways for the ESCRT-mediated budding process. The bud size is determined by membrane material parameters, explaining the narrow yet different bud size distributions in vitro and in vivo. Our membrane elasticity model thus sheds light on the energetics and possible mechanisms of ESCRT-induced membrane budding.

  20. 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....

  1. 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.

  2. Assessing basin heterogeneities for rainfall–runoff modelling of the Okavango River and its transboundary management

    Directory of Open Access Journals (Sweden)

    V. Baumberg

    2014-09-01

    Full Text Available The neighbouring river systems Cubango and Cuito drain the southeastern part of the Angolan Highlands and form the Okavango River after their confluence, thus providing 95% of the Okavango River discharge. Although they are characterised by similar environmental conditions, runoff records indicate remarkable differences regarding the hydrological dynamics. The Cubango River is known for rapid discharges with high peaks and low baseflow whereas the Cuito runoff appears more balanced. These differences are mainly caused by heterogeneous geological conditions or terrain features. The Cubango headwaters are dominated by crystalline bedrock and steeper, v-shaped valleys while the Cuito system is characterised by wide, swampy valleys and thick sand layers, thus attenuating runoff. This study presents model exercises which have been performed to assess and quantify these effects by applying the distributive model J2000g for each sub-basin. The models provide reasonable results representing the spatio-temporal runoff pattern, although some peaks are over- or underestimated, particularly in the Cuito catchment. This is explained by the scarce information on extent and structure of storages, such as aquifers or swamps, in the Cuito system. However, the model results aid understanding of the differences of both tributaries in runoff generation and underpin the importance of floodplains regarding the control of runoff peaks and low flows in the Cuito system. Model exercises reveal that basin heterogeneity needs to be taken into account and must be parameterised appropriately for reliable modelling and assessment of the entire Okavango River basin for managing the water resources of the transboundary Okavango River in a harmonious way.

  3. A mathematical model of collective cell migration in a three-dimensional, heterogeneous environment.

    Directory of Open Access Journals (Sweden)

    David P Stonko

    Full Text Available Cell migration is essential in animal development, homeostasis, and disease progression, but many questions remain unanswered about how this process is controlled. While many kinds of individual cell movements have been characterized, less effort has been directed towards understanding how clusters of cells migrate collectively through heterogeneous, cellular environments. To explore this, we have focused on the migration of the border cells during Drosophila egg development. In this case, a cluster of different cell types coalesce and traverse as a group between large cells, called nurse cells, in the center of the egg chamber. We have developed a new model for this collective cell migration based on the forces of adhesion, repulsion, migration and stochastic fluctuation to generate the movement of discrete cells. We implement the model using Identical Math Cells, or IMCs. IMCs can each represent one biological cell of the system, or can be aggregated using increased adhesion forces to model the dynamics of larger biological cells. The domain of interest is filled with IMCs, each assigned specific biophysical properties to mimic a diversity of cell types. Using this system, we have successfully simulated the migration of the border cell cluster through an environment filled with larger cells, which represent nurse cells. Interestingly, our simulations suggest that the forces utilized in this model are sufficient to produce behaviors of the cluster that are observed in vivo, such as rotation. Our framework was developed to capture a heterogeneous cell population, and our implementation strategy allows for diverse, but precise, initial position specification over a three- dimensional domain. Therefore, we believe that this model will be useful for not only examining aspects of Drosophila oogenesis, but also for modeling other two or three-dimensional systems that have multiple cell types and where investigating the forces between cells is of

  4. A mathematical model of collective cell migration in a three-dimensional, heterogeneous environment.

    Science.gov (United States)

    Stonko, David P; Manning, Lathiena; Starz-Gaiano, Michelle; Peercy, Bradford E

    2015-01-01

    Cell migration is essential in animal development, homeostasis, and disease progression, but many questions remain unanswered about how this process is controlled. While many kinds of individual cell movements have been characterized, less effort has been directed towards understanding how clusters of cells migrate collectively through heterogeneous, cellular environments. To explore this, we have focused on the migration of the border cells during Drosophila egg development. In this case, a cluster of different cell types coalesce and traverse as a group between large cells, called nurse cells, in the center of the egg chamber. We have developed a new model for this collective cell migration based on the forces of adhesion, repulsion, migration and stochastic fluctuation to generate the movement of discrete cells. We implement the model using Identical Math Cells, or IMCs. IMCs can each represent one biological cell of the system, or can be aggregated using increased adhesion forces to model the dynamics of larger biological cells. The domain of interest is filled with IMCs, each assigned specific biophysical properties to mimic a diversity of cell types. Using this system, we have successfully simulated the migration of the border cell cluster through an environment filled with larger cells, which represent nurse cells. Interestingly, our simulations suggest that the forces utilized in this model are sufficient to produce behaviors of the cluster that are observed in vivo, such as rotation. Our framework was developed to capture a heterogeneous cell population, and our implementation strategy allows for diverse, but precise, initial position specification over a three- dimensional domain. Therefore, we believe that this model will be useful for not only examining aspects of Drosophila oogenesis, but also for modeling other two or three-dimensional systems that have multiple cell types and where investigating the forces between cells is of interest.

  5. Addressing population heterogeneity and distribution in epidemics models using a cellular automata approach.

    Science.gov (United States)

    López, Leonardo; Burguerner, Germán; Giovanini, Leonardo

    2014-04-12

    The spread of an infectious disease is determined by biological and social factors. Models based on cellular automata are adequate to describe such natural systems consisting of a massive collection of simple interacting objects. They characterize the time evolution of the global system as the emergent behaviour resulting from the interaction of the objects, whose behaviour is defined through a set of simple rules that encode the individual behaviour and the transmission dynamic. An epidemic is characterized trough an individual-based-model built upon cellular automata. In the proposed model, each individual of the population is represented by a cell of the automata. This way of modeling an epidemic situation allows to individually define the characteristic of each individual, establish different scenarios and implement control strategies. A cellular automata model to study the time evolution of a heterogeneous populations through the various stages of disease was proposed, allowing the inclusion of individual heterogeneity, geographical characteristics and social factors that determine the dynamic of the desease. Different assumptions made to built the classical model were evaluated, leading to following results: i) for low contact rate (like in quarantine process or low density population areas) the number of infective individuals is lower than other areas where the contact rate is higher, and ii) for different initial spacial distributions of infected individuals different epidemic dynamics are obtained due to its influence on the transition rate and the reproductive ratio of disease. The contact rate and spatial distributions have a central role in the spread of a disease. For low density populations the spread is very low and the number of infected individuals is lower than in highly populated areas. The spacial distribution of the population and the disease focus as well as the geographical characteristic of the area play a central role in the dynamics of the

  6. Integrated reservoir characterization: Improvement in heterogeneities stochastic modelling by integration of additional external constraints

    Energy Technology Data Exchange (ETDEWEB)

    Doligez, B.; Eschard, R. [Institut Francais du Petrole, Rueil Malmaison (France); Geffroy, F. [Centre de Geostatistique, Fontainebleau (France)] [and others

    1997-08-01

    The classical approach to construct reservoir models is to start with a fine scale geological model which is informed with petrophysical properties. Then scaling-up techniques allow to obtain a reservoir model which is compatible with the fluid flow simulators. Geostatistical modelling techniques are widely used to build the geological models before scaling-up. These methods provide equiprobable images of the area under investigation, which honor the well data, and which variability is the same than the variability computed from the data. At an appraisal phase, when few data are available, or when the wells are insufficient to describe all the heterogeneities and the behavior of the field, additional constraints are needed to obtain a more realistic geological model. For example, seismic data or stratigraphic models can provide average reservoir information with an excellent areal coverage, but with a poor vertical resolution. New advances in modelisation techniques allow now to integrate this type of additional external information in order to constrain the simulations. In particular, 2D or 3D seismic derived information grids, or sand-shale ratios maps coming from stratigraphic models can be used as external drifts to compute the geological image of the reservoir at the fine scale. Examples are presented to illustrate the use of these new tools, their impact on the final reservoir model, and their sensitivity to some key parameters.

  7. (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.

  8. Radiation effects on bovine taste bud membranes

    International Nuclear Information System (INIS)

    Shatzman, A.R.; Mossman, K.L.

    1982-01-01

    In order to investigate the mechanisms of radiation-induced taste loss, the effects of radiation on preparations of enriched bovine taste bud membranes were studied. Taste buds containing circumvallate papilae, and surrounding control epithelial tissues devoid of taste buds, were obtained from steers and given radiation doses of 0-7000 cGy (rad). Tissue fractions were isolated into membrane-enriched and heterogeneous components using differential and sucrose gradient centrifugation of tissue homogenates. The yield of membranes, as measured by protein content in the buoyant membrane-enriched fractions, was reduced in quantity with increasing radiation dose. The relation between radiation dose and membrane quantity in membrane-enriched fractions could be fit by a simple exponential model with taste bud-derived membranes twice as radiosensitive as membranes from control epithelial tissue. Binding of sucrose, sodium, and acetate and fluoride stimulation of adenylate cyclase were nearly identical in both irradiated and nonirradiated intact membranes. Radiation had no effect on fractions of heterogeneous components. While it is not clear what changes are occurring in enriched taste cell membranes, damage to membranes may play an important role in the taste loss observed in patients following radiotherapy

  9. Quantifying the impacts of landscape heterogeneity and model resolution on dust emissions in the Arabian Peninsula

    KAUST Repository

    Shi, Mingjie; Yang, Zong-Liang; Stenchikov, Georgiy L.; Parajuli, Sagar P.; Tao, Weichun; Kalenderski, Stoitchko

    2016-01-01

    This study evaluates the spatiotemporal variability of dust emission in the Arabian Peninsula and quantifies the emission sensitivity to the land-cover heterogeneity by using the Community Land Model version 4 (CLM43) at three different spatial resolutions. The land-cover heterogeneity is represented by the CLM4-default plant function types (PFTs) and the Moderate Resolution Imaging Spectroradiometer (MODIS) land cover types, respectively, at different grids. We area-average surface vegetation data and use the default nearest neighbor method to interpolate meteorological variables. We find that using MODIS data leads to a slightly higher coverage of vegetated land than the default PFT data; the former also gives more dust emission than the latter at 25- and 50-km grids as the default PFT data have more gridcells favoring less dust emission. The research highlights the importance of using proper data-processing methods or dust emission thresholds to preserve the dust emission accuracy in land models. © 2016 Elsevier Ltd.

  10. Tsunami Simulations in the Western Makran Using Hypothetical Heterogeneous Source Models from World's Great Earthquakes

    Science.gov (United States)

    Rashidi, Amin; Shomali, Zaher Hossein; Keshavarz Farajkhah, Nasser

    2018-03-01

    The western segment of Makran subduction zone is characterized with almost no major seismicity and no large earthquake for several centuries. A possible episode for this behavior is that this segment is currently locked accumulating energy to generate possible great future earthquakes. Taking into account this assumption, a hypothetical rupture area is considered in the western Makran to set different tsunamigenic scenarios. Slip distribution models of four recent tsunamigenic earthquakes, i.e. 2015 Chile M w 8.3, 2011 Tohoku-Oki M w 9.0 (using two different scenarios) and 2006 Kuril Islands M w 8.3, are scaled into the rupture area in the western Makran zone. The numerical modeling is performed to evaluate near-field and far-field tsunami hazards. Heterogeneity in slip distribution results in higher tsunami amplitudes. However, its effect reduces from local tsunamis to regional and distant tsunamis. Among all considered scenarios for the western Makran, only a similar tsunamigenic earthquake to the 2011 Tohoku-Oki event can re-produce a significant far-field tsunami and is considered as the worst case scenario. The potential of a tsunamigenic source is dominated by the degree of slip heterogeneity and the location of greatest slip on the rupture area. For the scenarios with similar slip patterns, the mean slip controls their relative power. Our conclusions also indicate that along the entire Makran coasts, the southeastern coast of Iran is the most vulnerable area subjected to tsunami hazard.

  11. A few bad apples: a model of disease influenced agent behaviour in a heterogeneous contact environment.

    Directory of Open Access Journals (Sweden)

    Jessica Enright

    Full Text Available For diseases that infect humans or livestock, transmission dynamics are at least partially dependent on human activity and therefore human behaviour. However, the impact of human behaviour on disease transmission is relatively understudied, especially in the context of heterogeneous contact structures such as described by a social network. Here, we use a strategic game, coupled with a simple disease model, to investigate how strategic agent choices impact the spread of disease over a contact network. Using beliefs that are based on disease status and that build up over time, agents choose actions that stochastically determine disease spread on the network. An agent's disease status is therefore a function of both his own and his neighbours actions. The effect of disease on agents is modelled by a heterogeneous payoff structure. We find that the combination of network shape and distribution of payoffs has a non-trivial impact on disease prevalence, even if the mean payoff remains the same. An important scenario occurs when a small percentage (called noncooperators have little incentive to avoid disease. For diseases that are easily acquired when taking a risk, then even when good behavior can lead to disease eradication, a small increase in the percentage of noncooperators (less than 5% can yield a large (up to 25% increase in prevalence.

  12. Modeling the heterogeneity of human dynamics based on the measurements of influential users in Sina Microblog

    Science.gov (United States)

    Wang, Chenxu; Guan, Xiaohong; Qin, Tao; Yang, Tao

    2015-06-01

    Online social network has become an indispensable communication tool in the information age. The development of microblog also provides us a great opportunity to study human dynamics that play a crucial role in the design of efficient communication systems. In this paper we study the characteristics of the tweeting behavior based on the data collected from Sina Microblog. The user activity level is measured to characterize how often a user posts a tweet. We find that the user activity level follows a bimodal distribution. That is, the microblog users tend to be either active or inactive. The inter-tweeting time distribution is then measured at both the aggregate and individual levels. We find that the inter-tweeting time follows a piecewise power law distribution of two tails. Furthermore, the exponents of the two tails have different correlations with the user activity level. These findings demonstrate that the dynamics of the tweeting behavior are heterogeneous in different time scales. We then develop a dynamic model co-driven by the memory and the interest mechanism to characterize the heterogeneity. The numerical simulations validate the model and verify that the short time interval tweeting behavior is driven by the memory mechanism while the long time interval behavior by the interest mechanism.

  13. Thinning of heterogeneous lithosphere: insights from field observations and numerical modelling

    Science.gov (United States)

    Petri, B.; Duretz, T.; Mohn, G.; Schmalholz, S. M.

    2017-12-01

    The nature and mechanisms of formation of extremely thinned continental crust (N Italy) and in the Southern Alps (N Italy) were selected for their exceptional level of preservation of rift-related structures. This situation enables us to characterize (1) the pre-rift architecture of the continental lithosphere, (2) the localization of rift-related deformation in distinct portion of the lithosphere and (3) the interaction between initial heterogeneities of the lithosphere and rift-related structures. In a second stage, these observations are integrated in high-resolution, two-dimensional thermo-mechanical models taking into account various patterns of initial mechanical heterogeneities. Our results show the importance of initial pre-rift architecture of the continental lithosphere during rifting. Key roles are given to high-angle and low-angle normal faults, anastomosing shear-zones and decoupling horizons. We propose that during the first stages of thinning, deformation is strongly controlled by the complex pre-rift architecture of the lithosphere, localized along major structures responsible for the lateral extrusion of mid to lower crustal levels. This extrusion juxtaposes mechanically stronger levels in the hyper-thinned continental crust, being exhumed by subsequent low-angle normal faults. Altogether, these results highlight the critical role of the extraction of mechanically strong layers of the lithosphere during the extreme thinning of the continental lithosphere and allows to propose a new model for the formation of continental passive margins.

  14. Tsunami Simulations in the Western Makran Using Hypothetical Heterogeneous Source Models from World's Great Earthquakes

    Science.gov (United States)

    Rashidi, Amin; Shomali, Zaher Hossein; Keshavarz Farajkhah, Nasser

    2018-04-01

    The western segment of Makran subduction zone is characterized with almost no major seismicity and no large earthquake for several centuries. A possible episode for this behavior is that this segment is currently locked accumulating energy to generate possible great future earthquakes. Taking into account this assumption, a hypothetical rupture area is considered in the western Makran to set different tsunamigenic scenarios. Slip distribution models of four recent tsunamigenic earthquakes, i.e. 2015 Chile M w 8.3, 2011 Tohoku-Oki M w 9.0 (using two different scenarios) and 2006 Kuril Islands M w 8.3, are scaled into the rupture area in the western Makran zone. The numerical modeling is performed to evaluate near-field and far-field tsunami hazards. Heterogeneity in slip distribution results in higher tsunami amplitudes. However, its effect reduces from local tsunamis to regional and distant tsunamis. Among all considered scenarios for the western Makran, only a similar tsunamigenic earthquake to the 2011 Tohoku-Oki event can re-produce a significant far-field tsunami and is considered as the worst case scenario. The potential of a tsunamigenic source is dominated by the degree of slip heterogeneity and the location of greatest slip on the rupture area. For the scenarios with similar slip patterns, the mean slip controls their relative power. Our conclusions also indicate that along the entire Makran coasts, the southeastern coast of Iran is the most vulnerable area subjected to tsunami hazard.

  15. Quantifying the impacts of landscape heterogeneity and model resolution on dust emissions in the Arabian Peninsula

    KAUST Repository

    Shi, Mingjie

    2016-01-11

    This study evaluates the spatiotemporal variability of dust emission in the Arabian Peninsula and quantifies the emission sensitivity to the land-cover heterogeneity by using the Community Land Model version 4 (CLM43) at three different spatial resolutions. The land-cover heterogeneity is represented by the CLM4-default plant function types (PFTs) and the Moderate Resolution Imaging Spectroradiometer (MODIS) land cover types, respectively, at different grids. We area-average surface vegetation data and use the default nearest neighbor method to interpolate meteorological variables. We find that using MODIS data leads to a slightly higher coverage of vegetated land than the default PFT data; the former also gives more dust emission than the latter at 25- and 50-km grids as the default PFT data have more gridcells favoring less dust emission. The research highlights the importance of using proper data-processing methods or dust emission thresholds to preserve the dust emission accuracy in land models. © 2016 Elsevier Ltd.

  16. Analysis of a genetically structured variance heterogeneity model using the Box-Cox transformation.

    Science.gov (United States)

    Yang, Ye; Christensen, Ole F; Sorensen, Daniel

    2011-02-01

    Over recent years, statistical support for the presence of genetic factors operating at the level of the environmental variance has come from fitting a genetically structured heterogeneous variance model to field or experimental data in various species. Misleading results may arise due to skewness of the marginal distribution of the data. To investigate how the scale of measurement affects inferences, the genetically structured heterogeneous variance model is extended to accommodate the family of Box-Cox transformations. Litter size data in rabbits and pigs that had previously been analysed in the untransformed scale were reanalysed in a scale equal to the mode of the marginal posterior distribution of the Box-Cox parameter. In the rabbit data, the statistical evidence for a genetic component at the level of the environmental variance is considerably weaker than that resulting from an analysis in the original metric. In the pig data, the statistical evidence is stronger, but the coefficient of correlation between additive genetic effects affecting mean and variance changes sign, compared to the results in the untransformed scale. The study confirms that inferences on variances can be strongly affected by the presence of asymmetry in the distribution of data. We recommend that to avoid one important source of spurious inferences, future work seeking support for a genetic component acting on environmental variation using a parametric approach based on normality assumptions confirms that these are met.

  17. Modeling triple-negative breast cancer heterogeneity: effects of stromal macrophages, fibroblasts and tumor vasculature.

    Science.gov (United States)

    Norton, Kerri-Ann; Jin, Kideok; Popel, Aleksander S

    2018-05-08

    A hallmark of breast tumors is its spatial heterogeneity that includes its distribution of cancer stem cells and progenitor cells, but also heterogeneity in the tumor microenvironment. In this study we focus on the contributions of stromal cells, specifically macrophages, fibroblasts, and endothelial cells on tumor progression. We develop a computational model of triple-negative breast cancer based on our previous work and expand it to include macrophage infiltration, fibroblasts, and angiogenesis. In vitro studies have shown that the secretomes of tumor-educated macrophages and fibroblasts increase both the migration and proliferation rates of triple-negative breast cancer cells. In vivo studies also demonstrated that blocking signaling of selected secreted factors inhibits tumor growth and metastasis in mouse xenograft models. We investigate the influences of increased migration and proliferation rates on tumor growth, the effect of the presence on fibroblasts or macrophages on growth and morphology, and the contributions of macrophage infiltration on tumor growth. We find that while the presence of macrophages increases overall tumor growth, the increase in macrophage infiltration does not substantially increase tumor growth and can even stifle tumor growth at excessive rates. Copyright © 2018. Published by Elsevier Ltd.

  18. Deconstructing stem cell population heterogeneity: Single-cell analysis and modeling approaches

    Science.gov (United States)

    Wu, Jincheng; Tzanakakis, Emmanuel S.

    2014-01-01

    Isogenic stem cell populations display cell-to-cell variations in a multitude of attributes including gene or protein expression, epigenetic state, morphology, proliferation and proclivity for differentiation. The origins of the observed heterogeneity and its roles in the maintenance of pluripotency and the lineage specification of stem cells remain unclear. Addressing pertinent questions will require the employment of single-cell analysis methods as traditional cell biochemical and biomolecular assays yield mostly population-average data. In addition to time-lapse microscopy and flow cytometry, recent advances in single-cell genomic, transcriptomic and proteomic profiling are reviewed. The application of multiple displacement amplification, next generation sequencing, mass cytometry and spectrometry to stem cell systems is expected to provide a wealth of information affording unprecedented levels of multiparametric characterization of cell ensembles under defined conditions promoting pluripotency or commitment. Establishing connections between single-cell analysis information and the observed phenotypes will also require suitable mathematical models. Stem cell self-renewal and differentiation are orchestrated by the coordinated regulation of subcellular, intercellular and niche-wide processes spanning multiple time scales. Here, we discuss different modeling approaches and challenges arising from their application to stem cell populations. Integrating single-cell analysis with computational methods will fill gaps in our knowledge about the functions of heterogeneity in stem cell physiology. This combination will also aid the rational design of efficient differentiation and reprogramming strategies as well as bioprocesses for the production of clinically valuable stem cell derivatives. PMID:24035899

  19. 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.

  20. 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

  1. Modeling water flux and salt rejection of mesoporous γ-alumina and microporous organosilica membranes

    NARCIS (Netherlands)

    Farsi, A.; Boffa, V.; Qureshi, H.F.; Nijmeijer, Arian; Winnubst, Aloysius J.A.; Lykkegaard Christensen, M.

    2014-01-01

    The water and ion transport through a mesoporous γ-alumina membrane and a microporous organosilica membrane was simulated using the extended Nernst Planck equation combined with models for Donnan, steric and dielectric interfacial exclusion mechanisms. Due to the surface charge within the pore, the

  2. 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

  3. 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.

  4. 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.

  5. Maximum Entropy Production Modeling of Evapotranspiration Partitioning on Heterogeneous Terrain and Canopy Cover: advantages and limitations.

    Science.gov (United States)

    Gutierrez-Jurado, H. A.; Guan, H.; Wang, J.; Wang, H.; Bras, R. L.; Simmons, C. T.

    2015-12-01

    Quantification of evapotranspiration (ET) and its partition over regions of heterogeneous topography and canopy poses a challenge using traditional approaches. In this study, we report the results of a novel field experiment design guided by the Maximum Entropy Production model of ET (MEP-ET), formulated for estimating evaporation and transpiration from homogeneous soil and canopy. A catchment with complex terrain and patchy vegetation in South Australia was instrumented to measure temperature, humidity and net radiation at soil and canopy surfaces. Performance of the MEP-ET model to quantify transpiration and soil evaporation was evaluated during wet and dry conditions with independently and directly measured transpiration from sapflow and soil evaporation using the Bowen Ratio Energy Balance (BREB). MEP-ET transpiration shows remarkable agreement with that obtained through sapflow measurements during wet conditions, but consistently overestimates the flux during dry periods. However, an additional term introduced to the original MEP-ET model accounting for higher stomatal regulation during dry spells, based on differences between leaf and air vapor pressure deficits and temperatures, significantly improves the model performance. On the other hand, MEP-ET soil evaporation is in good agreement with that from BREB regardless of moisture conditions. The experimental design allows a plot and tree scale quantification of evaporation and transpiration respectively. This study confirms for the first time that the MEP-ET originally developed for homogeneous open bare soil and closed canopy can be used for modeling ET over heterogeneous land surfaces. Furthermore, we show that with the addition of an empirical function simulating the plants ability to regulate transpiration, and based on the same measurements of temperature and humidity, the method can produce reliable estimates of ET during both wet and dry conditions without compromising its parsimony.

  6. Decomposing the heterogeneity of depression at the person-, symptom-, and time-level : Latent variable models versus multimode principal component analysis

    NARCIS (Netherlands)

    de Vos, Stijn; Wardenaar, Klaas J.; Bos, Elisabeth H.; Wit, Ernst C.; de Jonge, Peter

    2015-01-01

    Background: Heterogeneity of psychopathological concepts such as depression hampers progress in research and clinical practice. Latent Variable Models (LVMs) have been widely used to reduce this problem by identification of more homogeneous factors or subgroups. However, heterogeneity exists at

  7. Intravoxel water diffusion heterogeneity MR imaging of nasopharyngeal carcinoma using stretched exponential diffusion model

    Energy Technology Data Exchange (ETDEWEB)

    Lai, Vincent; Khong, Pek Lan [University of Hong Kong, Department of Diagnostic Radiology, Li Ka Shing Faculty of Medicine, Queen Mary Hospital, Pok Fu Lam (China); Lee, Victor Ho Fun; Lam, Ka On; Sze, Henry Chun Kin [University of Hong Kong, Department of Clinical Oncology, Li Ka Shing Faculty of Medicine, Queen Mary Hospital, Pok Fu Lam (China); Chan, Queenie [Philips Healthcare, Hong Kong, Shatin, New Territories (China)

    2015-06-01

    To determine the utility of stretched exponential diffusion model in characterisation of the water diffusion heterogeneity in different tumour stages of nasopharyngeal carcinoma (NPC). Fifty patients with newly diagnosed NPC were prospectively recruited. Diffusion-weighted MR imaging was performed using five b values (0-2,500 s/mm{sup 2}). Respective stretched exponential parameters (DDC, distributed diffusion coefficient; and alpha (α), water heterogeneity) were calculated. Patients were stratified into low and high tumour stage groups based on the American Joint Committee on Cancer (AJCC) staging for determination of the predictive powers of DDC and α using t test and ROC curve analyses. The mean ± standard deviation values were DDC = 0.692 ± 0.199 (x 10{sup -3} mm{sup 2}/s) for low stage group vs 0.794 ± 0.253 (x 10{sup -3} mm{sup 2}/s) for high stage group; α = 0.792 ± 0.145 for low stage group vs 0.698 ± 0.155 for high stage group. α was significantly lower in the high stage group while DDC was negatively correlated. DDC and α were both reliable independent predictors (p < 0.001), with α being more powerful. Optimal cut-off values were (sensitivity, specificity, positive likelihood ratio, negative likelihood ratio) DDC = 0.692 x 10{sup -3} mm{sup 2}/s (94.4 %, 64.3 %, 2.64, 0.09), α = 0.720 (72.2 %, 100 %, -, 0.28). The heterogeneity index α is robust and can potentially help in staging and grading prediction in NPC. (orig.)

  8. Intravoxel water diffusion heterogeneity MR imaging of nasopharyngeal carcinoma using stretched exponential diffusion model

    International Nuclear Information System (INIS)

    Lai, Vincent; Khong, Pek Lan; Lee, Victor Ho Fun; Lam, Ka On; Sze, Henry Chun Kin; Chan, Queenie

    2015-01-01

    To determine the utility of stretched exponential diffusion model in characterisation of the water diffusion heterogeneity in different tumour stages of nasopharyngeal carcinoma (NPC). Fifty patients with newly diagnosed NPC were prospectively recruited. Diffusion-weighted MR imaging was performed using five b values (0-2,500 s/mm 2 ). Respective stretched exponential parameters (DDC, distributed diffusion coefficient; and alpha (α), water heterogeneity) were calculated. Patients were stratified into low and high tumour stage groups based on the American Joint Committee on Cancer (AJCC) staging for determination of the predictive powers of DDC and α using t test and ROC curve analyses. The mean ± standard deviation values were DDC = 0.692 ± 0.199 (x 10 -3 mm 2 /s) for low stage group vs 0.794 ± 0.253 (x 10 -3 mm 2 /s) for high stage group; α = 0.792 ± 0.145 for low stage group vs 0.698 ± 0.155 for high stage group. α was significantly lower in the high stage group while DDC was negatively correlated. DDC and α were both reliable independent predictors (p < 0.001), with α being more powerful. Optimal cut-off values were (sensitivity, specificity, positive likelihood ratio, negative likelihood ratio) DDC = 0.692 x 10 -3 mm 2 /s (94.4 %, 64.3 %, 2.64, 0.09), α = 0.720 (72.2 %, 100 %, -, 0.28). The heterogeneity index α is robust and can potentially help in staging and grading prediction in NPC. (orig.)

  9. Effects of farm heterogeneity and methods for upscaling on modelled nitrogen losses in agricultural landscapes

    DEFF Research Database (Denmark)

    Dalgaard, Tommy; Hutchings, Nicholas John; Dragosits, U

    2011-01-01

    The aim of this study is to illustrate the importance of farm scale heterogeneity on nitrogen (N) losses in agricultural landscapes. Results are exemplified with a chain of N models calculating farm-N balances and distributing the N-surplus to N-losses (volatilisation, denitrification, leaching......) and soil-N accumulation/release in a Danish landscape. Possible non-linearities in upscaling are assessed by comparing average model results based on (i) individual farm level calculations and (ii) averaged inputs at landscape level. Effects of the non-linearities that appear when scaling up from farm...... to landscape are demonstrated. Especially in relation to ammonia losses the non-linearity between livestock density and N-loss is significant (p > 0.999), with around 20–30% difference compared to a scaling procedure not taking this non-linearity into account. A significant effect of farm type on soil N...

  10. 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.

  11. An emotional contagion model for heterogeneous social media with multiple behaviors

    Science.gov (United States)

    Xiong, Xi; Li, Yuanyuan; Qiao, Shaojie; Han, Nan; Wu, Yue; Peng, Jing; Li, Binyong

    2018-01-01

    The emotion varies and propagates with the spatial and temporal information of individuals through social media, which uncovers several interaction mechanisms and features the community structure in order to facilitate individuals' communication and emotional contagion in social networks. Aiming to show the detailed process and characteristics of emotional contagion within social media, we propose an emotional independent cascade model in which individual emotion can affect the subsequent emotion of his/her friends. The transmissibility is introduced to measure the capability of propagating emotion with respect to an individual in social networks. By analyzing the patterns of emotional contagion on Twitter data, we find that the value of transmissibility differs on different layers and on different community structures. Extensive experiments were conducted and the results reveal that, the polar emotion of hub users can lead to the disappearance of opposite emotion, and the transmissibility makes no sense. The final emotional distribution depends on the initial emotional distribution and the transmissibilities. Individuals from a small community are more likely to change their mood by the influence of community leaders. In addition, we compared the proposed model with two other models, the emotion-based spreader-ignorant-stifler model and the standard independent cascade model. The results demonstrate that the proposed model can reflect the real-world situation of emotional contagion for heterogeneous social media while the computational complexities of all these three models are similar.

  12. 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.

  13. Heterogeneity in lunar anorthosite meteorites: implications for the lunar magma ocean model.

    Science.gov (United States)

    Russell, Sara S; Joy, Katherine H; Jeffries, Teresa E; Consolmagno, Guy J; Kearsley, Anton

    2014-09-13

    The lunar magma ocean model is a well-established theory of the early evolution of the Moon. By this model, the Moon was initially largely molten and the anorthositic crust that now covers much of the lunar surface directly crystallized from this enormous magma source. We are undertaking a study of the geochemical characteristics of anorthosites from lunar meteorites to test this model. Rare earth and other element abundances have been measured in situ in relict anorthosite clasts from two feldspathic lunar meteorites: Dhofar 908 and Dhofar 081. The rare earth elements were present in abundances of approximately 0.1 to approximately 10× chondritic (CI) abundance. Every plagioclase exhibited a positive Eu-anomaly, with Eu abundances of up to approximately 20×CI. Calculations of the melt in equilibrium with anorthite show that it apparently crystallized from a magma that was unfractionated with respect to rare earth elements and ranged in abundance from 8 to 80×CI. Comparisons of our data with other lunar meteorites and Apollo samples suggest that there is notable heterogeneity in the trace element abundances of lunar anorthosites, suggesting these samples did not all crystallize from a common magma source. Compositional and isotopic data from other authors also suggest that lunar anorthosites are chemically heterogeneous and have a wide range of ages. These observations may support other models of crust formation on the Moon or suggest that there are complexities in the lunar magma ocean scenario to allow for multiple generations of anorthosite formation. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

  14. Agent-Based Modeling of Mitochondria Links Sub-Cellular Dynamics to Cellular Homeostasis and Heterogeneity.

    Directory of Open Access Journals (Sweden)

    Giovanni Dalmasso

    amplifying, cell-to-cell variability of mitochondrial morphology and energetic stress states. Overall, our modeling approach integrates biochemical and imaging knowledge, and presents a novel open-modeling approach to investigate how spatial and temporal mitochondrial dynamics contribute to functional homeostasis, and how subcellular organelle heterogeneity contributes to the emergence of cell heterogeneity.

  15. Necessity of using heterogeneous ellipsoidal Earth model with terrain to calculate co-seismic effect

    Science.gov (United States)

    Cheng, Huihong; Zhang, Bei; Zhang, Huai; Huang, Luyuan; Qu, Wulin; Shi, Yaolin

    2016-04-01

    Co-seismic deformation and stress changes, which reflect the elasticity of the earth, are very important in the earthquake dynamics, and also to other issues, such as the evaluation of the seismic risk, fracture process and triggering of earthquake. Lots of scholars have researched the dislocation theory and co-seismic deformation and obtained the half-space homogeneous model, half-space stratified model, spherical stratified model, and so on. Especially, models of Okada (1992) and Wang (2003, 2006) are widely applied in the research of calculating co-seismic and post-seismic effects. However, since both semi-infinite space model and layered model do not take the role of the earth curvature or heterogeneity or topography into consideration, there are large errors in calculating the co-seismic displacement of a great earthquake in its impacted area. Meanwhile, the computational methods of calculating the co-seismic strain and stress are different between spherical model and plane model. Here, we adopted the finite element method which could well deal with the complex characteristics (such as anisotropy, discontinuities) of rock and different conditions. We use the mash adaptive technique to automatically encrypt the mesh at the fault and adopt the equivalent volume force replace the dislocation source, which can avoid the difficulty in handling discontinuity surface with conventional (Zhang et al., 2015). We constructed an earth model that included earth's layered structure and curvature, the upper boundary was set as a free surface and the core-mantle boundary was set under buoyancy forces. Firstly, based on the precision requirement, we take a testing model - - a strike-slip fault (the length of fault is 500km and the width is 50km, and the slippage is 10m) for example. Because of the curvature of the Earth, some errors certainly occur in plane coordinates just as previous studies (Dong et al., 2014; Sun et al., 2012). However, we also found that: 1) the co

  16. 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.

  17. 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.

  18. Modeling the improvement of ultrafiltration membrane mass transfer when using biofiltration pretreatment in surface water applications.

    Science.gov (United States)

    Netcher, Andrea C; Duranceau, Steven J

    2016-03-01

    In surface water treatment, ultrafiltration (UF) membranes are widely used because of their ability to supply safe drinking water. Although UF membranes produce high-quality water, their efficiency is limited by fouling. Improving UF filtrate productivity is economically desirable and has been attempted by incorporating sustainable biofiltration processes as pretreatment to UF with varying success. The availability of models that can be applied to describe the effectiveness of biofiltration on membrane mass transfer are lacking. In this work, UF water productivity was empirically modeled as a function of biofilter feed water quality using either a quadratic or Gaussian relationship. UF membrane mass transfer variability was found to be governed by the dimensionless mass ratio between the alkalinity (ALK) and dissolved organic carbon (DOC). UF membrane productivity was optimized when the biofilter feed water ALK to DOC ratio fell between 10 and 14. Copyright © 2015 Elsevier Ltd. All rights reserved.

  19. Superpixel Segmentation for Polsar Images with Local Iterative Clustering and Heterogeneous Statistical Model

    Science.gov (United States)

    Xiang, D.; Ni, W.; Zhang, H.; Wu, J.; Yan, W.; Su, Y.

    2017-09-01

    Superpixel segmentation has an advantage that can well preserve the target shape and details. In this research, an adaptive polarimetric SLIC (Pol-ASLIC) superpixel segmentation method is proposed. First, the spherically invariant random vector (SIRV) product model is adopted to estimate the normalized covariance matrix and texture for each pixel. A new edge detector is then utilized to extract PolSAR image edges for the initialization of central seeds. In the local iterative clustering, multiple cues including polarimetric, texture, and spatial information are considered to define the similarity measure. Moreover, a polarimetric homogeneity measurement is used to automatically determine the tradeoff factor, which can vary from homogeneous areas to heterogeneous areas. Finally, the SLIC superpixel segmentation scheme is applied to the airborne Experimental SAR and PiSAR L-band PolSAR data to demonstrate the effectiveness of this proposed segmentation approach. This proposed algorithm produces compact superpixels which can well adhere to image boundaries in both natural and urban areas. The detail information in heterogeneous areas can be well preserved.

  20. SUPERPIXEL SEGMENTATION FOR POLSAR IMAGES WITH LOCAL ITERATIVE CLUSTERING AND HETEROGENEOUS STATISTICAL MODEL

    Directory of Open Access Journals (Sweden)

    D. Xiang

    2017-09-01

    Full Text Available Superpixel segmentation has an advantage that can well preserve the target shape and details. In this research, an adaptive polarimetric SLIC (Pol-ASLIC superpixel segmentation method is proposed. First, the spherically invariant random vector (SIRV product model is adopted to estimate the normalized covariance matrix and texture for each pixel. A new edge detector is then utilized to extract PolSAR image edges for the initialization of central seeds. In the local iterative clustering, multiple cues including polarimetric, texture, and spatial information are considered to define the similarity measure. Moreover, a polarimetric homogeneity measurement is used to automatically determine the tradeoff factor, which can vary from homogeneous areas to heterogeneous areas. Finally, the SLIC superpixel segmentation scheme is applied to the airborne Experimental SAR and PiSAR L-band PolSAR data to demonstrate the effectiveness of this proposed segmentation approach. This proposed algorithm produces compact superpixels which can well adhere to image boundaries in both natural and urban areas. The detail information in heterogeneous areas can be well preserved.

  1. Heterogeneous postsurgical data analytics for predictive modeling of mortality risks in intensive care units.

    Science.gov (United States)

    Yun Chen; Hui Yang

    2014-01-01

    The rapid advancements of biomedical instrumentation and healthcare technology have resulted in data-rich environments in hospitals. However, the meaningful information extracted from rich datasets is limited. There is a dire need to go beyond current medical practices, and develop data-driven methods and tools that will enable and help (i) the handling of big data, (ii) the extraction of data-driven knowledge, (iii) the exploitation of acquired knowledge for optimizing clinical decisions. This present study focuses on the prediction of mortality rates in Intensive Care Units (ICU) using patient-specific healthcare recordings. It is worth mentioning that postsurgical monitoring in ICU leads to massive datasets with unique properties, e.g., variable heterogeneity, patient heterogeneity, and time asyncronization. To cope with the challenges in ICU datasets, we developed the postsurgical decision support system with a series of analytical tools, including data categorization, data pre-processing, feature extraction, feature selection, and predictive modeling. Experimental results show that the proposed data-driven methodology outperforms traditional approaches and yields better results based on the evaluation of real-world ICU data from 4000 subjects in the database. This research shows great potentials for the use of data-driven analytics to improve the quality of healthcare services.

  2. Dynamic Heterogeneous Multiscale Filtration Model: Probing Micro- and Macroscopic Filtration Characteristics of Gasoline Particulate Filters.

    Science.gov (United States)

    Gong, Jian; Viswanathan, Sandeep; Rothamer, David A; Foster, David E; Rutland, Christopher J

    2017-10-03

    Motivated by high filtration efficiency (mass- and number-based) and low pressure drop requirements for gasoline particulate filters (GPFs), a previously developed heterogeneous multiscale filtration (HMF) model is extended to simulate dynamic filtration characteristics of GPFs. This dynamic HMF model is based on a probability density function (PDF) description of the pore size distribution and classical filtration theory. The microstructure of the porous substrate in a GPF is resolved and included in the model. Fundamental particulate filtration experiments were conducted using an exhaust filtration analysis (EFA) system for model validation. The particulate in the filtration experiments was sampled from a spark-ignition direct-injection (SIDI) gasoline engine. With the dynamic HMF model, evolution of the microscopic characteristics of the substrate (pore size distribution, porosity, permeability, and deposited particulate inside the porous substrate) during filtration can be probed. Also, predicted macroscopic filtration characteristics including particle number concentration and normalized pressure drop show good agreement with the experimental data. The resulting dynamic HMF model can be used to study the dynamic particulate filtration process in GPFs with distinct microstructures, serving as a powerful tool for GPF design and optimization.

  3. Seismic attenuation relationship with homogeneous and heterogeneous prediction-error variance models

    Science.gov (United States)

    Mu, He-Qing; Xu, Rong-Rong; Yuen, Ka-Veng

    2014-03-01

    Peak ground acceleration (PGA) estimation is an important task in earthquake engineering practice. One of the most well-known models is the Boore-Joyner-Fumal formula, which estimates the PGA using the moment magnitude, the site-to-fault distance and the site foundation properties. In the present study, the complexity for this formula and the homogeneity assumption for the prediction-error variance are investigated and an efficiency-robustness balanced formula is proposed. For this purpose, a reduced-order Monte Carlo simulation algorithm for Bayesian model class selection is presented to obtain the most suitable predictive formula and prediction-error model for the seismic attenuation relationship. In this approach, each model class (a predictive formula with a prediction-error model) is evaluated according to its plausibility given the data. The one with the highest plausibility is robust since it possesses the optimal balance between the data fitting capability and the sensitivity to noise. A database of strong ground motion records in the Tangshan region of China is obtained from the China Earthquake Data Center for the analysis. The optimal predictive formula is proposed based on this database. It is shown that the proposed formula with heterogeneous prediction-error variance is much simpler than the attenuation model suggested by Boore, Joyner and Fumal (1993).

  4. A branch-heterogeneous model of protein evolution for efficient inference of ancestral sequences.

    Science.gov (United States)

    Groussin, M; Boussau, B; Gouy, M

    2013-07-01

    Most models of nucleotide or amino acid substitution used in phylogenetic studies assume that the evolutionary process has been homogeneous across lineages and that composition of nucleotides or amino acids has remained the same throughout the tree. These oversimplified assumptions are refuted by the observation that compositional variability characterizes extant biological sequences. Branch-heterogeneous models of protein evolution that account for compositional variability have been developed, but are not yet in common use because of the large number of parameters required, leading to high computational costs and potential overparameterization. Here, we present a new branch-nonhomogeneous and nonstationary model of protein evolution that captures more accurately the high complexity of sequence evolution. This model, henceforth called Correspondence and likelihood analysis (COaLA), makes use of a correspondence analysis to reduce the number of parameters to be optimized through maximum likelihood, focusing on most of the compositional variation observed in the data. The model was thoroughly tested on both simulated and biological data sets to show its high performance in terms of data fitting and CPU time. COaLA efficiently estimates ancestral amino acid frequencies and sequences, making it relevant for studies aiming at reconstructing and resurrecting ancestral amino acid sequences. Finally, we applied COaLA on a concatenate of universal amino acid sequences to confirm previous results obtained with a nonhomogeneous Bayesian model regarding the early pattern of adaptation to optimal growth temperature, supporting the mesophilic nature of the Last Universal Common Ancestor.

  5. A Monte Carlo calculation model of electronic portal imaging device for transit dosimetry through heterogeneous media

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Jihyung; Jung, Jae Won, E-mail: jungj@ecu.edu [Department of Physics, East Carolina University, Greenville, North Carolina 27858 (United States); Kim, Jong Oh [Department of Radiation Oncology, University of Pittsburgh Cancer Institute, Pittsburgh, Pennsylvania 15232 (United States); Yeo, Inhwan [Department of Radiation Medicine, Loma Linda University Medical Center, Loma Linda, California 92354 (United States)

    2016-05-15

    Purpose: To develop and evaluate a fast Monte Carlo (MC) dose calculation model of electronic portal imaging device (EPID) based on its effective atomic number modeling in the XVMC code. Methods: A previously developed EPID model, based on the XVMC code by density scaling of EPID structures, was modified by additionally considering effective atomic number (Z{sub eff}) of each structure and adopting a phase space file from the EGSnrc code. The model was tested under various homogeneous and heterogeneous phantoms and field sizes by comparing the calculations in the model with measurements in EPID. In order to better evaluate the model, the performance of the XVMC code was separately tested by comparing calculated dose to water with ion chamber (IC) array measurement in the plane of EPID. Results: In the EPID plane, calculated dose to water by the code showed agreement with IC measurements within 1.8%. The difference was averaged across the in-field regions of the acquired profiles for all field sizes and phantoms. The maximum point difference was 2.8%, affected by proximity of the maximum points to penumbra and MC noise. The EPID model showed agreement with measured EPID images within 1.3%. The maximum point difference was 1.9%. The difference dropped from the higher value of the code by employing the calibration that is dependent on field sizes and thicknesses for the conversion of calculated images to measured images. Thanks to the Z{sub eff} correction, the EPID model showed a linear trend of the calibration factors unlike those of the density-only-scaled model. The phase space file from the EGSnrc code sharpened penumbra profiles significantly, improving agreement of calculated profiles with measured profiles. Conclusions: Demonstrating high accuracy, the EPID model with the associated calibration system may be used for in vivo dosimetry of radiation therapy. Through this study, a MC model of EPID has been developed, and their performance has been rigorously

  6. Coupled petrological-geodynamical modeling of a compositionally heterogeneous mantle plume

    Science.gov (United States)

    Rummel, Lisa; Kaus, Boris J. P.; White, Richard W.; Mertz, Dieter F.; Yang, Jianfeng; Baumann, Tobias S.

    2018-01-01

    Self-consistent geodynamic modeling that includes melting is challenging as the chemistry of the source rocks continuously changes as a result of melt extraction. Here, we describe a new method to study the interaction between physical and chemical processes in an uprising heterogeneous mantle plume by combining a geodynamic code with a thermodynamic modeling approach for magma generation and evolution. We pre-computed hundreds of phase diagrams, each of them for a different chemical system. After melt is extracted, the phase diagram with the closest bulk rock chemistry to the depleted source rock is updated locally. The petrological evolution of rocks is tracked via evolving chemical compositions of source rocks and extracted melts using twelve oxide compositional parameters. As a result, a wide variety of newly generated magmatic rocks can in principle be produced from mantle rocks with different degrees of depletion. The results show that a variable geothermal gradient, the amount of extracted melt and plume excess temperature affect the magma production and chemistry by influencing decompression melting and the depletion of rocks. Decompression melting is facilitated by a shallower lithosphere-asthenosphere boundary and an increase in the amount of extracted magma is induced by a lower critical melt fraction for melt extraction and/or higher plume temperatures. Increasing critical melt fractions activates the extraction of melts triggered by decompression at a later stage and slows down the depletion process from the metasomatized mantle. Melt compositional trends are used to determine melting related processes by focusing on K2O/Na2O ratio as indicator for the rock type that has been molten. Thus, a step-like-profile in K2O/Na2O might be explained by a transition between melting metasomatized and pyrolitic mantle components reproducible through numerical modeling of a heterogeneous asthenospheric mantle source. A potential application of the developed method

  7. Modeling and interoperability of heterogeneous genomic big data for integrative processing and querying.

    Science.gov (United States)

    Masseroli, Marco; Kaitoua, Abdulrahman; Pinoli, Pietro; Ceri, Stefano

    2016-12-01

    While a huge amount of (epi)genomic data of multiple types is becoming available by using Next Generation Sequencing (NGS) technologies, the most important emerging problem is the so-called tertiary analysis, concerned with sense making, e.g., discovering how different (epi)genomic regions and their products interact and cooperate with each other. We propose a paradigm shift in tertiary analysis, based on the use of the Genomic Data Model (GDM), a simple data model which links genomic feature data to their associated experimental, biological and clinical metadata. GDM encompasses all the data formats which have been produced for feature extraction from (epi)genomic datasets. We specifically describe the mapping to GDM of SAM (Sequence Alignment/Map), VCF (Variant Call Format), NARROWPEAK (for called peaks produced by NGS ChIP-seq or DNase-seq methods), and BED (Browser Extensible Data) formats, but GDM supports as well all the formats describing experimental datasets (e.g., including copy number variations, DNA somatic mutations, or gene expressions) and annotations (e.g., regarding transcription start sites, genes, enhancers or CpG islands). We downloaded and integrated samples of all the above-mentioned data types and formats from multiple sources. The GDM is able to homogeneously describe semantically heterogeneous data and makes the ground for providing data interoperability, e.g., achieved through the GenoMetric Query Language (GMQL), a high-level, declarative query language for genomic big data. The combined use of the data model and the query language allows comprehensive processing of multiple heterogeneous data, and supports the development of domain-specific data-driven computations and bio-molecular knowledge discovery. Copyright © 2016 Elsevier Inc. All rights reserved.

  8. Models of natural computation : gene assembly and membrane systems

    NARCIS (Netherlands)

    Brijder, Robert

    2008-01-01

    This thesis is concerned with two research areas in natural computing: the computational nature of gene assembly and membrane computing. Gene assembly is a process occurring in unicellular organisms called ciliates. During this process genes are transformed through cut-and-paste operations. We

  9. 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 ...

  10. 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

  11. 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)

  12. 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.

  13. 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)

  14. Discrete Fracture Modeling of 3D Heterogeneous Enhanced Coalbed Methane Recovery with Prismatic Meshing

    Directory of Open Access Journals (Sweden)

    Yongbin Zhang

    2015-06-01

    Full Text Available In this study, a 3D multicomponent multiphase simulator with a new fracture characterization technique is developed to simulate the enhanced recovery of coalbed methane. In this new model, the diffusion source from the matrix is calculated using the traditional dual-continuum approach, while in the Darcy flow scale, the Discrete Fracture Model (DFM is introduced to explicitly represent the flow interaction between cleats and large-scale fractures. For this purpose, a general formulation is proposed to model the multicomponent multiphase flow through the fractured coal media. The S&D model and a revised P&M model are incorporated to represent the geomechanical effects. Then a finite volume based discretization and solution strategies are constructed to solve the general ECBM equations. The prismatic meshing algorism is used to construct the grids for 3D reservoirs with complex fracture geometry. The simulator is validated with a benchmark case in which the results show close agreement with GEM. Finally, simulation of a synthetic heterogeneous 3D coal reservoir modified from a published literature is performed to evaluate the production performance and the effects of injected gas composition, well pattern and gas buoyancy.

  15. Fog modelling during the ParisFog campaign: predictive approach and spatial heterogeneity effect

    International Nuclear Information System (INIS)

    Zhang, Xiaojing

    2010-01-01

    In fog or low clouds modeling, the accurate comprehension of the interaction among the turbulence, the microphysics and the radiation is still an important issue in improvement of numerical prediction quality. The improvement of fog modeling is important both in forecasting in transportation and in industrial domain by reason of their discharges atmospheric (cooling tower, smog...). The 1D version of Code-Saturne has been used for the numerical simulation with the observational data from the ParisFog campaign, which took place at the SIRTA site during 2006-2007 winter. The comparison between the simulation and observation shows that the model is able to reproduce correctly the fog evolution from its formation to its dissipation. The sensitivity analysis of the behavior of the different parameterizations shows that the fog dynamic is sensible to the turbulence closure, the fog water content to the sedimentation processes and the fog droplet spectrum to the nucleation scheme. The performance of a long-period simulation in forecasting mode shows that the robustness of the model and the contribution of the coupling by nudging and a mesoscale model in 36 hours advance. The 3D version of Code-Saturne allows us to study the effect of spatial heterogeneity on the fog formation. Firstly, the simulations have been performed within a homogeneous horizontal domain with RANS mode. And then, the surface roughness in different type of surface and the building area will be taken into account. (author) [fr

  16. Heterogeneous autoregressive model with structural break using nearest neighbor truncation volatility estimators for DAX.

    Science.gov (United States)

    Chin, Wen Cheong; Lee, Min Cherng; Yap, Grace Lee Ching

    2016-01-01

    High frequency financial data modelling has become one of the important research areas in the field of financial econometrics. However, the possible structural break in volatile financial time series often trigger inconsistency issue in volatility estimation. In this study, we propose a structural break heavy-tailed heterogeneous autoregressive (HAR) volatility econometric model with the enhancement of jump-robust estimators. The breakpoints in the volatility are captured by dummy variables after the detection by Bai-Perron sequential multi breakpoints procedure. In order to further deal with possible abrupt jump in the volatility, the jump-robust volatility estimators are composed by using the nearest neighbor truncation approach, namely the minimum and median realized volatility. Under the structural break improvements in both the models and volatility estimators, the empirical findings show that the modified HAR model provides the best performing in-sample and out-of-sample forecast evaluations as compared with the standard HAR models. Accurate volatility forecasts have direct influential to the application of risk management and investment portfolio analysis.

  17. Fitting N-mixture models to count data with unmodeled heterogeneity: Bias, diagnostics, and alternative approaches

    Science.gov (United States)

    Duarte, Adam; Adams, Michael J.; Peterson, James T.

    2018-01-01

    Monitoring animal populations is central to wildlife and fisheries management, and the use of N-mixture models toward these efforts has markedly increased in recent years. Nevertheless, relatively little work has evaluated estimator performance when basic assumptions are violated. Moreover, diagnostics to identify when bias in parameter estimates from N-mixture models is likely is largely unexplored. We simulated count data sets using 837 combinations of detection probability, number of sample units, number of survey occasions, and type and extent of heterogeneity in abundance or detectability. We fit Poisson N-mixture models to these data, quantified the bias associated with each combination, and evaluated if the parametric bootstrap goodness-of-fit (GOF) test can be used to indicate bias in parameter estimates. We also explored if assumption violations can be diagnosed prior to fitting N-mixture models. In doing so, we propose a new model diagnostic, which we term the quasi-coefficient of variation (QCV). N-mixture models performed well when assumptions were met and detection probabilities were moderate (i.e., ≥0.3), and the performance of the estimator improved with increasing survey occasions and sample units. However, the magnitude of bias in estimated mean abundance with even slight amounts of unmodeled heterogeneity was substantial. The parametric bootstrap GOF test did not perform well as a diagnostic for bias in parameter estimates when detectability and sample sizes were low. The results indicate the QCV is useful to diagnose potential bias and that potential bias associated with unidirectional trends in abundance or detectability can be diagnosed using Poisson regression. This study represents the most thorough assessment to date of assumption violations and diagnostics when fitting N-mixture models using the most commonly implemented error distribution. Unbiased estimates of population state variables are needed to properly inform management decision

  18. Homogenization of linearly anisotropic scattering cross sections in a consistent B1 heterogeneous leakage model

    International Nuclear Information System (INIS)

    Marleau, G.; Debos, E.

    1998-01-01

    One of the main problems encountered in cell calculations is that of spatial homogenization where one associates to an heterogeneous cell an homogeneous set of cross sections. The homogenization process is in fact trivial when a totally reflected cell without leakage is fully homogenized since it involved only a flux-volume weighting of the isotropic cross sections. When anisotropic leakages models are considered, in addition to homogenizing isotropic cross sections, the anisotropic scattering cross section must also be considered. The simple option, which consists of using the same homogenization procedure for both the isotropic and anisotropic components of the scattering cross section, leads to inconsistencies between the homogeneous and homogenized transport equation. Here we will present a method for homogenizing the anisotropic scattering cross sections that will resolve these inconsistencies. (author)

  19. Modeling flows of heterogeneous media in pipelines when substantiating operating conditions of hydrocarbon field transportation systems

    Science.gov (United States)

    Dudin, S. M.; Novitskiy, D. V.

    2018-05-01

    The works of researchers at VNIIgaz, Giprovostokneft, Kuibyshev NIINP, Grozny Petroleum Institute, etc., are devoted to modeling heterogeneous medium flows in pipelines under laboratory conditions. In objective consideration, the empirical relationships obtained and the calculation procedures for pipelines transporting multiphase products are a bank of experimental data on the problem of pipeline transportation of multiphase systems. Based on the analysis of the published works, the main design requirements for experimental installations designed to study the flow regimes of gas-liquid flows in pipelines were formulated, which were taken into account by the authors when creating the experimental stand. The article describes the results of experimental studies of the flow regimes of a gas-liquid mixture in a pipeline, and also gives a methodological description of the experimental installation. Also the article describes the software of the experimental scientific and educational stand developed with the participation of the authors.

  20. Analysis of a genetically structured variance heterogeneity model using the Box-Cox transformation

    DEFF Research Database (Denmark)

    Yang, Ye; Christensen, Ole Fredslund; Sorensen, Daniel

    2011-01-01

    of the marginal distribution of the data. To investigate how the scale of measurement affects inferences, the genetically structured heterogeneous variance model is extended to accommodate the family of Box–Cox transformations. Litter size data in rabbits and pigs that had previously been analysed...... in the untransformed scale were reanalysed in a scale equal to the mode of the marginal posterior distribution of the Box–Cox parameter. In the rabbit data, the statistical evidence for a genetic component at the level of the environmental variance is considerably weaker than that resulting from an analysis...... in the original metric. In the pig data, the statistical evidence is stronger, but the coefficient of correlation between additive genetic effects affecting mean and variance changes sign, compared to the results in the untransformed scale. The study confirms that inferences on variances can be strongly affected...

  1. A Heterogeneous Agent Model of Asspet Price with Three Time Delays

    Directory of Open Access Journals (Sweden)

    Akio Matsumoto

    2016-09-01

    Full Text Available This paper considers a continuous-time heterogeneous agent model ofa ...nancial market with one risky asset, two types of agents (i.e., thefundamentalists and the chartists, and three time delays. The chartistdemand is determined through a nonlinear function of the di¤erence be-tween the current price and a weighted moving average of the delayedprices whereas the fundamentalist demand is governed by the di¤erencebetween the current price and the fundamental value. The asset price dy-namics is described by a nonlinear delay di¤erential equation. Two mainresults are analytically and numerically shown:(i the delay destabilizes the market price and generates cyclic oscillationsaround the equilibrium;(ii under multiple delays, stability loss and gain repeatedly occurs as alength of the delay increases.

  2. A Discrete Heterogeneous-Group Economic Growth Model with Endogenous Leisure Time

    Directory of Open Access Journals (Sweden)

    Wei-Bin Zhang

    2009-01-01

    Full Text Available This paper proposes a one-sector multigroup growth model with endogenous labor supply in discrete time. Proposing an alternative approach to behavior of households, we examine the dynamics of wealth and income distribution in a competitive economy with capital accumulation as the main engine of economic growth. We show how human capital levels, preferences, and labor force of heterogeneous households determine the national economic growth, wealth, and income distribution and time allocation of the groups. By simulation we demonstrate, for instance, that in the three-group economy when the rich group's human capital is improved, all the groups will economically benefit, and the leisure times of all the groups are reduced but when any other group's human capital is improved, the group will economically benefit, the other two groups economically lose, and the leisure times of all the groups are increased.

  3. Space-fractional model for the spreading of matter in heterogeneous porous media

    International Nuclear Information System (INIS)

    Krepysheva, N.; Neel, M.Ch.

    2005-01-01

    In very heterogeneous porous media (like the soil, or an aquifer, for instance), experimental results showed that mass transport sometimes does not obey Fourier's law. Continuous Time Random Walks in the form of L y Flights provide a small scale model for super diffusive spreading of a tracer plume, dissolved in a fluid, itself enclosed in a porous medium. In an infinite medium, the corresponding behavior of the concentration of solute is known to obey a variant of Fourier's law, with a Riesz-Feller operator in place of the Laplacian. Here we show that with some modifications the result extends to semi infinite media. A numerical method allowing for the simulation of fractional derivatives is adapted to semi infinite media, with special attention to convective terms, associated to a possibly non zero global trough flow. (authors)

  4. Space-fractional model for the spreading of matter in heterogeneous porous media

    Energy Technology Data Exchange (ETDEWEB)

    Krepysheva, N. [Institut National de Recherches Agronomiques (INRA), UMRA Climat-Sol-Environnement, 84 - Avignon (France); Neel, M.Ch. [Universite d' Avignon, Faculte des Sciences, UMRA Climat-Sol-Environnement, 84 - Avignon (France)

    2005-07-01

    In very heterogeneous porous media (like the soil, or an aquifer, for instance), experimental results showed that mass transport sometimes does not obey Fourier's law. Continuous Time Random Walks in the form of L y Flights provide a small scale model for super diffusive spreading of a tracer plume, dissolved in a fluid, itself enclosed in a porous medium. In an infinite medium, the corresponding behavior of the concentration of solute is known to obey a variant of Fourier's law, with a Riesz-Feller operator in place of the Laplacian. Here we show that with some modifications the result extends to semi infinite media. A numerical method allowing for the simulation of fractional derivatives is adapted to semi infinite media, with special attention to convective terms, associated to a possibly non zero global trough flow. (authors)

  5. A Sharable and Efficient Metadata Model for Heterogeneous Earth Observation Data Retrieval in Multi-Scale Flood Mapping

    Directory of Open Access Journals (Sweden)

    Nengcheng Chen

    2015-07-01

    Full Text Available Remote sensing plays an important role in flood mapping and is helping advance flood monitoring and management. Multi-scale flood mapping is necessary for dividing floods into several stages for comprehensive management. However, existing data systems are typically heterogeneous owing to the use of different access protocols and archiving metadata models. In this paper, we proposed a sharable and efficient metadata model (APEOPM for constructing an Earth observation (EO data system to retrieve remote sensing data for flood mapping. The proposed model contains two sub-models, an access protocol model and an enhanced encoding model. The access protocol model helps unify heterogeneous access protocols and can achieve intelligent access via a semantic enhancement method. The enhanced encoding model helps unify a heterogeneous archiving metadata model. Wuhan city, one of the most important cities in the Yangtze River Economic Belt in China, is selected as a study area for testing the retrieval of heterogeneous EO data and flood mapping. The past torrential rain period from 25 March 2015 to 10 April 2015 is chosen as the temporal range in this study. To aid in comprehensive management, mapping is conducted at different spatial and temporal scales. In addition, the efficiency of data retrieval is analyzed, and validation between the flood maps and actual precipitation was conducted. The results show that the flood map coincided with the actual precipitation.

  6. Tracing contaminant pathways in sandy heterogeneous glaciofluvial sediments using a sedimentary depositional model

    International Nuclear Information System (INIS)

    Webb, E.K.; Anderson, M.P.

    1990-01-01

    Heterogeneous sedimentary deposits present complications for tracking contaminant movement by causing a complex advective flow field. Connected areas of high conductivity produce so-called fast paths that control movement of solutes. Identifying potential fast paths and describing the variation in hydraulic properties was attempted through simulating the deposition of a glaciofluvial deposit (outwash). Glaciofluvial deposits usually consist of several depositional facies, each of which has different physical characteristics, depositional structures and hydraulic properties. Therefore, it is unlikely that the property of stationarity (a constant mean hydraulic conductivity and a mono-modal probability distribution) holds for an entire glaciofluvial sequence. However, the process of dividing an outwash sequence into geologic facies presumably identifies units of material with similar physical characteristics. It is proposed that patterns of geologic facies determined by field observation can be quantified by mathematical simulation of sediment deposition. Subsequently, the simulated sediment distributions can be used to define the distribution of hydrogeologic parameters and locate possible fast paths. To test this hypothesis, a hypothetical glacial outwash deposit based on geologic facies descriptions contained in the literature was simulated using a sedimentary depositional model, SEDSIM, to produce a three-dimensional description of sediment grain size distributions. Grain size distributions were then used to estimate the spatial distribution of hydraulic conductivity. Subsequently a finite-difference flow model and linked particle tracking algorithm were used to trace conservative transport pathways. This represents a first step in describing the spatial heterogeneity of hydrogeologic characteristics for glaciofluvial and other braided stream environments. (Author) (39 refs., 7 figs.)

  7. BClass: A Bayesian Approach Based on Mixture Models for Clustering and Classification of Heterogeneous Biological Data

    Directory of Open Access Journals (Sweden)

    Arturo Medrano-Soto

    2004-12-01

    Full Text Available Based on mixture models, we present a Bayesian method (called BClass to classify biological entities (e.g. genes when variables of quite heterogeneous nature are analyzed. Various statistical distributions are used to model the continuous/categorical data commonly produced by genetic experiments and large-scale genomic projects. We calculate the posterior probability of each entry to belong to each element (group in the mixture. In this way, an original set of heterogeneous variables is transformed into a set of purely homogeneous characteristics represented by the probabilities of each entry to belong to the groups. The number of groups in the analysis is controlled dynamically by rendering the groups as 'alive' and 'dormant' depending upon the number of entities classified within them. Using standard Metropolis-Hastings and Gibbs sampling algorithms, we constructed a sampler to approximate posterior moments and grouping probabilities. Since this method does not require the definition of similarity measures, it is especially suitable for data mining and knowledge discovery in biological databases. We applied BClass to classify genes in RegulonDB, a database specialized in information about the transcriptional regulation of gene expression in the bacterium Escherichia coli. The classification obtained is consistent with current knowledge and allowed prediction of missing values for a number of genes. BClass is object-oriented and fully programmed in Lisp-Stat. The output grouping probabilities are analyzed and interpreted using graphical (dynamically linked plots and query-based approaches. We discuss the advantages of using Lisp-Stat as a programming language as well as the problems we faced when the data volume increased exponentially due to the ever-growing number of genomic projects.

  8. 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...

  9. 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

  10. A mobile-mobile transport model for simulating reactive transport in connected heterogeneous fields

    Science.gov (United States)

    Lu, Chunhui; Wang, Zhiyuan; Zhao, Yue; Rathore, Saubhagya Singh; Huo, Jinge; Tang, Yuening; Liu, Ming; Gong, Rulan; Cirpka, Olaf A.; Luo, Jian

    2018-05-01

    Mobile-immobile transport models can be effective in reproducing heavily tailed breakthrough curves of concentration. However, such models may not adequately describe transport along multiple flow paths with intermediate velocity contrasts in connected fields. We propose using the mobile-mobile model for simulating subsurface flow and associated mixing-controlled reactive transport in connected fields. This model includes two local concentrations, one in the fast- and the other in the slow-flow domain, which predict both the concentration mean and variance. The normalized total concentration variance within the flux is found to be a non-monotonic function of the discharge ratio with a maximum concentration variance at intermediate values of the discharge ratio. We test the mobile-mobile model for mixing-controlled reactive transport with an instantaneous, irreversible bimolecular reaction in structured and connected random heterogeneous domains, and compare the performance of the mobile-mobile to the mobile-immobile model. The results indicate that the mobile-mobile model generally predicts the concentration breakthrough curves (BTCs) of the reactive compound better. Particularly, for cases of an elliptical inclusion with intermediate hydraulic-conductivity contrasts, where the travel-time distribution shows bimodal behavior, the prediction of both the BTCs and maximum product concentration is significantly improved. Our results exemplify that the conceptual model of two mobile domains with diffusive mass transfer in between is in general good for predicting mixing-controlled reactive transport, and particularly so in cases where the transfer in the low-conductivity zones is by slow advection rather than diffusion.

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

    DEFF Research Database (Denmark)

    Jonsson, Gunnar Eigil

    the large different in permeate flux and concentration factor that was observed for the different MD configurations. This is highly related to the heat and mass transfer resistances in the membrane as well as in the boundary layers adjacent to the membrane surface and how the driving force develops along......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...

  12. [Effect of solution environments on ceramic membrane microfiltration of model system of Chinese medicines].

    Science.gov (United States)

    Zhang, Lianjun; Lu, Jin; Le, Kang; Fu, Tingming; Guo, Liwei

    2010-07-01

    To investigate the effect of differents solution environments on the ceramic membrane microfiltration of model system of Chinese medicines. Taking binary system of soybean protein-berberine as the research object, flux, transmittance of berberine and traping rate of protein as indexes, different solution environment on membrane process were investigated. When the concentration of soybean protein was under 1 g x L(-1), the membrane flux was minimum with the traping of berberine decreased slightly as the concentration increased. When pH was 4, the flux was maximum with the traping rate of protein was 99%, and the transmittance of berberine reached above 60%. The efficiency of membrane separation can be improved by optimizing the solution environment of water-extraction of chinese medicines. The efficiency of membrane separation is the best when adjust the pH to the isoelectric point of proteins for the proteins as the main pollutant in aqueous solution.

  13. 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).

  14. A topological proof of chaos for two nonlinear heterogeneous triopoly game models

    Energy Technology Data Exchange (ETDEWEB)

    Pireddu, Marina, E-mail: marina.pireddu@unimib.it [Department of Mathematics and Applications, University of Milano-Bicocca, U5 Building, Via Cozzi 55, 20125 Milano (Italy)

    2016-08-15

    We rigorously prove the existence of chaotic dynamics for two nonlinear Cournot triopoly game models with heterogeneous players, for which in the existing literature the presence of complex phenomena and strange attractors has been shown via numerical simulations. In the first model that we analyze, costs are linear but the demand function is isoelastic, while, in the second model, the demand function is linear and production costs are quadratic. As concerns the decisional mechanisms adopted by the firms, in both models one firm adopts a myopic adjustment mechanism, considering the marginal profit of the last period; the second firm maximizes its own expected profit under the assumption that the competitors' production levels will not vary with respect to the previous period; the third firm acts adaptively, changing its output proportionally to the difference between its own output in the previous period and the naive expectation value. The topological method we employ in our analysis is the so-called “Stretching Along the Paths” technique, based on the Poincaré-Miranda Theorem and the properties of the cutting surfaces, which allows to prove the existence of a semi-conjugacy between the system under consideration and the Bernoulli shift, so that the former inherits from the latter several crucial chaotic features, among which a positive topological entropy.

  15. Clustering autism: using neuroanatomical differences in 26 mouse models to gain insight into the heterogeneity.

    Science.gov (United States)

    Ellegood, J; Anagnostou, E; Babineau, B A; Crawley, J N; Lin, L; Genestine, M; DiCicco-Bloom, E; Lai, J K Y; Foster, J A; Peñagarikano, O; Geschwind, D H; Pacey, L K; Hampson, D R; Laliberté, C L; Mills, A A; Tam, E; Osborne, L R; Kouser, M; Espinosa-Becerra, F; Xuan, Z; Powell, C M; Raznahan, A; Robins, D M; Nakai, N; Nakatani, J; Takumi, T; van Eede, M C; Kerr, T M; Muller, C; Blakely, R D; Veenstra-VanderWeele, J; Henkelman, R M; Lerch, J P

    2015-02-01

    Autism is a heritable disorder, with over 250 associated genes identified to date, yet no single gene accounts for >1-2% of cases. The clinical presentation, behavioural symptoms, imaging and histopathology findings are strikingly heterogeneous. A more complete understanding of autism can be obtained by examining multiple genetic or behavioural mouse models of autism using magnetic resonance imaging (MRI)-based neuroanatomical phenotyping. Twenty-six different mouse models were examined and the consistently found abnormal brain regions across models were parieto-temporal lobe, cerebellar cortex, frontal lobe, hypothalamus and striatum. These models separated into three distinct clusters, two of which can be linked to the under and over-connectivity found in autism. These clusters also identified previously unknown connections between Nrxn1α, En2 and Fmr1; Nlgn3, BTBR and Slc6A4; and also between X monosomy and Mecp2. With no single treatment for autism found, clustering autism using neuroanatomy and identifying these strong connections may prove to be a crucial step in predicting treatment response.

  16. Dispersal and habitat connectivity in complex heterogeneous landscapes: an analysis with a GIS based random walk model

    NARCIS (Netherlands)

    Schippers, P.; Verboom, J.; Knaapen, J.P.; Apeldoorn, van R.

    1996-01-01

    A grid-based random walk model has been developed to simulate animal dispersal, taking landscape heterogeneity and linear barriers such as roads and rivers into account. The model can be used to estimate connectivity and has been parameterized for thebadger in the central part of the Netherlands.

  17. Introducing Membrane Charge and Membrane Potential to T Cell Signaling

    Directory of Open Access Journals (Sweden)

    Yuanqing Ma

    2017-11-01

    Full Text Available While membrane models now include the heterogeneous distribution of lipids, the impact of membrane charges on regulating the association of proteins with the plasma membrane is often overlooked. Charged lipids are asymmetrically distributed between the two leaflets of the plasma membrane, resulting in the inner leaflet being negatively charged and a surface potential that attracts and binds positively charged ions, proteins, and peptide motifs. These interactions not only create a transmembrane potential but they can also facilitate the formation of charged membrane domains. Here, we reference fields outside of immunology in which consequences of membrane charge are better characterized to highlight important mechanisms. We then focus on T cell receptor (TCR signaling, reviewing the evidence that membrane charges and membrane-associated calcium regulate phosphorylation of the TCR–CD3 complex and discuss how the immunological synapse exhibits distinct patterns of membrane charge distribution. We propose that charged lipids, ions in solution, and transient protein interactions form a dynamic equilibrium during T cell activation.

  18. [Temporal and spatial heterogeneity analysis of optimal value of sensitive parameters in ecological process model: The BIOME-BGC model as an example.

    Science.gov (United States)

    Li, Yi Zhe; Zhang, Ting Long; Liu, Qiu Yu; Li, Ying

    2018-01-01

    The ecological process models are powerful tools for studying terrestrial ecosystem water and carbon cycle at present. However, there are many parameters for these models, and weather the reasonable values of these parameters were taken, have important impact on the models simulation results. In the past, the sensitivity and the optimization of model parameters were analyzed and discussed in many researches. But the temporal and spatial heterogeneity of the optimal parameters is less concerned. In this paper, the BIOME-BGC model was used as an example. In the evergreen broad-leaved forest, deciduous broad-leaved forest and C3 grassland, the sensitive parameters of the model were selected by constructing the sensitivity judgment index with two experimental sites selected under each vegetation type. The objective function was constructed by using the simulated annealing algorithm combined with the flux data to obtain the monthly optimal values of the sensitive parameters at each site. Then we constructed the temporal heterogeneity judgment index, the spatial heterogeneity judgment index and the temporal and spatial heterogeneity judgment index to quantitatively analyze the temporal and spatial heterogeneity of the optimal values of the model sensitive parameters. The results showed that the sensitivity of BIOME-BGC model parameters was different under different vegetation types, but the selected sensitive parameters were mostly consistent. The optimal values of the sensitive parameters of BIOME-BGC model mostly presented time-space heterogeneity to different degrees which varied with vegetation types. The sensitive parameters related to vegetation physiology and ecology had relatively little temporal and spatial heterogeneity while those related to environment and phenology had generally larger temporal and spatial heterogeneity. In addition, the temporal heterogeneity of the optimal values of the model sensitive parameters showed a significant linear correlation

  19. Transport parameters for the modelling of water transport in ionomer membranes for PEM-fuel cells

    International Nuclear Information System (INIS)

    Meier, Frank; Eigenberger, Gerhart

    2004-01-01

    The water transport number (drag coefficient) and the hydraulic permeability were measured for Nafion. The results show a significant increase of both parameters with increasing water content indicating that they are strongly influenced by the membrane microstructure. Based on these experimental studies a new model approach to describe water transport in the H 2 -PEFC membrane is presented. This approach considers water transport by electro-osmosis caused by the proton flux through the membrane and by osmosis caused by a gradient in the chemical potential of water. It is parametrized by the measured data for the water transport number and the hydraulic permeability of Nafion. First simulation results applying this approach to a one-dimensional model of the H 2 -PEFC show good agreement with experimental data. Therefore, the developed model can be used for a new insight into the dominating mechanisms of water transport in the membrane

  20. Modeling hydrogen starvation conditions in proton-exchange membrane fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Ohs, Jan Hendrik; Sauter, Ulrich; Maass, Sebastian [Robert Bosch GmbH, Robert-Bosch-Platz 1, 70839 Gerlingen-Schillerhoehe (Germany); Stolten, Detlef [Forschungszentrum Juelich GmbH, IEF-3: Fuel Cells, 52425 Juelich (Germany)

    2011-01-01

    In this study, a steady state and isothermal 2D-PEM fuel cell model is presented. By simulation of a single cell along the channel and in through-plane direction, its behaviour under hydrogen starvation due to nitrogen dilution is analysed. Under these conditions, carbon corrosion and water electrolysis are observed on the cathode side. This phenomenon, causing severe cell degradation, is known as reverse current decay mechanism in literature. Butler-Volmer equations are used to model the electrochemical reactions. In addition, we account for permeation of gases through the membrane and for the local water content within the membrane. The results show that the membrane potential locally drops in areas starved from hydrogen. This leads to potential gradients >1.2 V between electrode and membrane on the cathode side resulting in significant carbon corrosion and electrolysis reaction rates. The model enables the analysis of sub-stoichiometric states occurring during anode gas recirculation or load transients. (author)

  1. Modeling the ion transfer and polarization of ion exchange membranes in bioelectrochemical systems.

    Science.gov (United States)

    Harnisch, Falk; Warmbier, Robert; Schneider, Ralf; Schröder, Uwe

    2009-06-01

    An explicit numerical model for the charge balancing ion transfer across monopolar ion exchange membranes under conditions of bioelectrochemical systems is presented. Diffusion and migration equations have been solved according to the Nernst-Planck Equation and the resulting ion concentrations, pH values and the resistance values of the membrane for different conditions were computed. The modeling results underline the principle limitations of the application of ion exchange membranes in biological fuel cells and electrolyzers, caused by the inherent occurrence of a pH-gradient between anode and cathode compartment, and an increased ohmic membrane resistance at decreasing electrolyte concentrations. Finally, the physical and numerical limitations of the model are discussed.

  2. 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)

  3. Performances of nanofiltration and low pressure reverse osmosis membranes for desalination: characterization and modelling

    Science.gov (United States)

    Boussouga, Y. A.; Lhassani, A.

    2017-03-01

    The nanofiltration and the reverse osmosis processes are the most common techniques for the desalination of water contaminated by an excess of salts. In this present study, we were interested in the characterization of commercial, composite and asymmetric membranes of nanofiltration (NF90, NF270) and low pressure reverse osmosis (BW30LE). The two types of characterization that we opted for our study: (i) characterization of electrical proprieties, in terms of the surface charge of various membranes studied by the measurement of the streaming potential, (ii) hydrodynamic characterization in terms of hydraulic permeability with pure water, mass transfer and phenomenological parameters for each system membrane/salt using hydrodynamic approaches. The irreversible thermodynamics allowed us to model the observed retention Robs of salts (NaCl and Na2SO4) for the different membranes studied, to understand and to predict a good filtration with a membrane. A study was conducted on the type of mass transfer for each system membrane/salt: convection and diffusion. The results showed that all tested membranes are negatively charged for the solutions at neutral pH, this is explained by their material composition. The results also showed competitiveness between the different types of membranes. In view of that the NF remains effective in terms of selective retention with less energy consumption than LPRO.

  4. 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.

  5. Relating transport modeling to nanofiltration membrane fabrication: Navigating the permeability-selectivity trade-off in desalination pretreatment

    OpenAIRE

    Labban, Omar; Lienhard, John H

    2018-01-01

    Faced with a pressing need for membranes with a higher permeability and selectivity, the field of membrane technology can benefit from a systematic framework for designing membranes with the necessary physical characteristics. In this work, we present an approach through which transport modeling is employed in fabricating specialized nanofiltration membranes, that experimentally demonstrate enhanced selectivity. Specifically, the Donnan-Steric Pore Model with dielectric exclusion (DSPM-DE) is...

  6. Policy options for alcohol price regulation: the importance of modelling population heterogeneity.

    Science.gov (United States)

    Meier, Petra Sylvia; Purshouse, Robin; Brennan, Alan

    2010-03-01

    Context and aims Internationally, the repertoire of alcohol pricing policies has expanded to include targeted taxation, inflation-linked taxation, taxation based on alcohol-by-volume (ABV), minimum pricing policies (general or targeted), bans of below-cost selling and restricting price-based promotions. Policy makers clearly need to consider how options compare in reducing harms at the population level, but are also required to demonstrate proportionality of their actions, which necessitates a detailed understanding of policy effects on different population subgroups. This paper presents selected findings from a policy appraisal for the UK government and discusses the importance of accounting for population heterogeneity in such analyses. Method We have built a causal, deterministic, epidemiological model which takes account of differential preferences by population subgroups defined by age, gender and level of drinking (moderate, hazardous, harmful). We consider purchasing preferences in terms of the types and volumes of alcoholic beverages, prices paid and the balance between bars, clubs and restaurants as opposed to supermarkets and off-licenses. Results Age, sex and level of drinking fundamentally affect beverage preferences, drinking location, prices paid, price sensitivity and tendency to substitute for other beverage types. Pricing policies vary in their impact on different product types, price points and venues, thus having distinctly different effects on subgroups. Because population subgroups also have substantially different risk profiles for harms, policies are differentially effective in reducing health, crime, work-place absence and unemployment harms. Conclusion Policy appraisals must account for population heterogeneity and complexity if resulting interventions are to be well considered, proportionate, effective and cost-effective.

  7. A Semianalytical Model for Pumping Tests in Finite Heterogeneous Confined Aquifers With Arbitrarily Shaped Boundary

    Science.gov (United States)

    Wang, Lei; Dai, Cheng; Xue, Liang

    2018-04-01

    This study presents a Laplace-transform-based boundary element method to model the groundwater flow in a heterogeneous confined finite aquifer with arbitrarily shaped boundaries. The boundary condition can be Dirichlet, Neumann or Robin-type. The derived solution is analytical since it is obtained through the Green's function method within the domain. However, the numerical approximation is required on the boundaries, which essentially renders it a semi-analytical solution. The proposed method can provide a general framework to derive solutions for zoned heterogeneous confined aquifers with arbitrarily shaped boundary. The requirement of the boundary element method presented here is that the Green function must exist for a specific PDE equation. In this study, the linear equations for the two-zone and three-zone confined aquifers with arbitrarily shaped boundary is established in Laplace space, and the solution can be obtained by using any linear solver. Stehfest inversion algorithm can be used to transform it back into time domain to obtain the transient solution. The presented solution is validated in the two-zone cases by reducing the arbitrarily shaped boundaries to circular ones and comparing it with the solution in Lin et al. (2016, https://doi.org/10.1016/j.jhydrol.2016.07.028). The effect of boundary shape and well location on dimensionless drawdown in two-zone aquifers is investigated. Finally the drawdown distribution in three-zone aquifers with arbitrarily shaped boundary for constant-rate tests (CRT) and flow rate distribution for constant-head tests (CHT) are analyzed.

  8. Critical review of membrane bioreactor models--part 2: hydrodynamic and integrated models.

    Science.gov (United States)

    Naessens, W; Maere, T; Ratkovich, N; Vedantam, S; Nopens, I

    2012-10-01

    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 modelling. In this paper, the vast literature on hydrodynamic and integrated MBR modelling 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 including costs are leaning towards optimisation. Trends are discussed, knowledge gaps identified and interesting routes for further research suggested. Copyright © 2012 Elsevier Ltd. All rights reserved.

  9. A dynamic Brownian bridge movement model to estimate utilization distributions for heterogeneous animal movement.

    Science.gov (United States)

    Kranstauber, Bart; Kays, Roland; Lapoint, Scott D; Wikelski, Martin; Safi, Kamran

    2012-07-01

    1. The recently developed Brownian bridge movement model (BBMM) has advantages over traditional methods because it quantifies the utilization distribution of an animal based on its movement path rather than individual points and accounts for temporal autocorrelation and high data volumes. However, the BBMM assumes unrealistic homogeneous movement behaviour across all data. 2. Accurate quantification of the utilization distribution is important for identifying the way animals use the landscape. 3. We improve the BBMM by allowing for changes in behaviour, using likelihood statistics to determine change points along the animal's movement path. 4. This novel extension, outperforms the current BBMM as indicated by simulations and examples of a territorial mammal and a migratory bird. The unique ability of our model to work with tracks that are not sampled regularly is especially important for GPS tags that have frequent failed fixes or dynamic sampling schedules. Moreover, our model extension provides a useful one-dimensional measure of behavioural change along animal tracks. 5. This new method provides a more accurate utilization distribution that better describes the space use of realistic, behaviourally heterogeneous tracks. © 2012 The Authors. Journal of Animal Ecology © 2012 British Ecological Society.

  10. A stochastic multiscale framework for modeling flow through random heterogeneous porous media

    International Nuclear Information System (INIS)

    Ganapathysubramanian, B.; Zabaras, N.

    2009-01-01

    Flow through porous media is ubiquitous, occurring from large geological scales down to the microscopic scales. Several critical engineering phenomena like contaminant spread, nuclear waste disposal and oil recovery rely on accurate analysis and prediction of these multiscale phenomena. Such analysis is complicated by inherent uncertainties as well as the limited information available to characterize the system. Any realistic modeling of these transport phenomena has to resolve two key issues: (i) the multi-length scale variations in permeability that these systems exhibit, and (ii) the inherently limited information available to quantify these property variations that necessitates posing these phenomena as stochastic processes. A stochastic variational multiscale formulation is developed to incorporate uncertain multiscale features. A stochastic analogue to a mixed multiscale finite element framework is used to formulate the physical stochastic multiscale process. Recent developments in linear and non-linear model reduction techniques are used to convert the limited information available about the permeability variation into a viable stochastic input model. An adaptive sparse grid collocation strategy is used to efficiently solve the resulting stochastic partial differential equations (SPDEs). The framework is applied to analyze flow through random heterogeneous media when only limited statistics about the permeability variation are given

  11. Determination of stimulation focality in heterogeneous head models during transcranial magnetic stimulation (TMS)

    Science.gov (United States)

    Lee, Erik; Hadimani, Ravi; Jiles, David

    2015-03-01

    Transcranial Magnetic Stimulation (TMS) is an increasingly popular tool used by both the scientific and medical community to understand and treat the brain. TMS has the potential to help people with a wide range of diseases such as Parkinson's, Alzheimer's, and PTSD, while currently being used to treat people with chronic, drug-resistant depression. Through computer simulations, we are able to see the electric field that TMS induces in anatomical human models, but there is no measure to quantify this electric field in a way that relates to a specific patient undergoing TMS therapy. We propose a way to quantify the focality of the induced electric field in a heterogeneous head model during TMS by relating the surface area of the brain being stimulated to the total volume of the brain being stimulated. This figure would be obtained by conducting finite element analysis (FEA) simulations of TMS therapy on a patient specific head model. Using this figure to assist in TMS therapy will allow clinicians and researchers to more accurately stimulate the desired region of a patient's brain and be more equipped to do comparative studies on the effects of TMS across different patients. This work was funded by the Carver Charitable Trust.

  12. Multiphysical model of heterogenous flow moving along а channel of variable cross-section

    Directory of Open Access Journals (Sweden)

    М. А. Васильева

    2017-10-01

    Full Text Available The article deals with the problem aimed at solving the fundamental problems of developing effective methods and tools for designing, controlling and managing the stream of fluid flowing in variable-section pipelines intended for the production of pumping equipment, medical devices and used in such areas of industry as mining, chemical, food production, etc. Execution of simulation modelling of flow motion according to the scheme of twisted paddle static mixer allows to estimate the efficiency of mixing by calculating the trajectory and velocities of the suspended particles going through the mixer, and also to estimate the pressure drop on the hydraulic flow resistance. The model examines the mixing of solids dissolved in a liquid at room temperature. To visualize the process of distributing the mixture particles over the cross-section and analyzing the mixing efficiency, the Poincaréplot module of the COMSOL Multiphysics software environment was used. For the first time, a multi-physical stream of heterogeneous flow model has been developed that describes in detail the physical state of the fluid at all points of the considered section at the initial time, takes into account the design parameters of the channel (orientation, dimensions, material, etc., specifies the laws of variation of the parameters at the boundaries of the calculated section in conditions of the wave change in the internal section of the working chamber-channel of the inductive peristaltic pumping unit under the influence of the energy of the magnetic field.

  13. Levy-like behaviour in deterministic models of intelligent agents exploring heterogeneous environments

    International Nuclear Information System (INIS)

    Boyer, D; Miramontes, O; Larralde, H

    2009-01-01

    Many studies on animal and human movement patterns report the existence of scaling laws and power-law distributions. Whereas a number of random walk models have been proposed to explain observations, in many situations individuals actually rely on mental maps to explore strongly heterogeneous environments. In this work, we study a model of a deterministic walker, visiting sites randomly distributed on the plane and with varying weight or attractiveness. At each step, the walker minimizes a function that depends on the distance to the next unvisited target (cost) and on the weight of that target (gain). If the target weight distribution is a power law, p(k) ∼ k -β , in some range of the exponent β, the foraging medium induces movements that are similar to Levy flights and are characterized by non-trivial exponents. We explore variations of the choice rule in order to test the robustness of the model and argue that the addition of noise has a limited impact on the dynamics in strongly disordered media.

  14. A conceptual sedimentological-geostatistical model of aquifer heterogeneity based on outcrop studies

    International Nuclear Information System (INIS)

    Davis, J.M.

    1994-01-01

    Three outcrop studies were conducted in deposits of different depositional environments. At each site, permeability measurements were obtained with an air-minipermeameter developed as part of this study. In addition, the geological units were mapped with either surveying, photographs, or both. Geostatistical analysis of the permeability data was performed to estimate the characteristics of the probability distribution function and the spatial correlation structure. The information obtained from the geological mapping was then compared with the results of the geostatistical analysis for any relationships that may exist. The main field site was located in the Albuquerque Basin of central New Mexico at an outcrop of the Pliocene-Pleistocene Sierra Ladrones Formation. The second study was conducted on the walls of waste pits in alluvial fan deposits at the Nevada Test Site. The third study was conducted on an outcrop of an eolian deposit (miocene) south of Socorro, New Mexico. The results of the three studies were then used to construct a conceptual model relating depositional environment to geostatistical models of heterogeneity. The model presented is largely qualitative but provides a basis for further hypothesis formulation and testing

  15. A conceptual sedimentological-geostatistical model of aquifer heterogeneity based on outcrop studies

    Energy Technology Data Exchange (ETDEWEB)

    Davis, J.M.

    1994-01-01

    Three outcrop studies were conducted in deposits of different depositional environments. At each site, permeability measurements were obtained with an air-minipermeameter developed as part of this study. In addition, the geological units were mapped with either surveying, photographs, or both. Geostatistical analysis of the permeability data was performed to estimate the characteristics of the probability distribution function and the spatial correlation structure. The information obtained from the geological mapping was then compared with the results of the geostatistical analysis for any relationships that may exist. The main field site was located in the Albuquerque Basin of central New Mexico at an outcrop of the Pliocene-Pleistocene Sierra Ladrones Formation. The second study was conducted on the walls of waste pits in alluvial fan deposits at the Nevada Test Site. The third study was conducted on an outcrop of an eolian deposit (miocene) south of Socorro, New Mexico. The results of the three studies were then used to construct a conceptual model relating depositional environment to geostatistical models of heterogeneity. The model presented is largely qualitative but provides a basis for further hypothesis formulation and testing.

  16. Estimating cost efficiency of Turkish commercial banks under unobserved heterogeneity with stochastic frontier models

    Directory of Open Access Journals (Sweden)

    Hakan Gunes

    2016-12-01

    Full Text Available This study aims to investigate the cost efficiency of Turkish commercial banks over the restructuring period of the Turkish banking system, which coincides with the 2008 financial global crisis and the 2010 European sovereign debt crisis. To this end, within the stochastic frontier framework, we employ true fixed effects model, where the unobserved bank heterogeneity is integrated in the inefficiency distribution at a mean level. To select the cost function with the most appropriate inefficiency correlates, we first adopt a search algorithm and then utilize the model averaging approach to verify that our results are not exposed to model selection bias. Overall, our empirical results reveal that cost efficiencies of Turkish banks have improved over time, with the effects of the 2008 and 2010 crises remaining rather limited. Furthermore, not only the cost efficiency scores but also impacts of the crises on those scores appear to vary with regard to bank size and ownership structure, in accordance with much of the existing literature.

  17. 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.

  18. 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

    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...

  19. 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.

  20. 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.