Science.gov

Sample records for macroscopic bioreaction models

  1. Macroscopic-microscopic mass models

    SciTech Connect

    Nix, J.R.; Moller, P.

    1995-07-01

    We discuss recent developments in macroscopic-microscopic mass models, including the 1992 finite-range droplet model, the 1992 extended- Thomas-Fermi Strutinsky-integral model, and the 1994 Thomas-Fermi model, with particular emphasis on how well they extrapolate to new regions of nuclei. We also address what recent developments in macroscopic-microscopic mass models are teaching us about such physically relevant issues as the nuclear curvature energy, a new congruence energy arising from a greater-than-average overlap of neutron and proton wave functions, the nuclear incompressibility coefficient, and the coulomb redistribution energy arising from a central density depression. We conclude with a brief discussion of the recently discovered rock of metastable superheavy nuclei near {sup 272}110 that had been correctly predicted by macroscopic-microscopic models, along with a possible new tack for reaching an island near {sup 290}110 beyond our present horizon.

  2. Validation of Travel-Time based Nonlinear Bioreactive Transport Models under Flow and Transport Dynamics

    NASA Astrophysics Data System (ADS)

    Sanz Prat, A.; Lu, C.; Cirpka, O. A.

    2014-12-01

    Travel-time based models are presented as an alternative to traditional spatially explicit models to solve nonlinear reactive-transport problems. The main advantage of the travel-time approach is that it does not require multi-dimensional characterization of physical and chemical parameters, and transport is one-dimensional. Spatial dimensions are replaced by groundwater travel time, defined as the time required by a water particle to reach an observation point or the outflow boundary, respectively. The fundamental hypothesis is that locations of the same groundwater age exhibit the same reactive-species concentrations. This is true in strictly advective-reactive transport in steady-state flows if the coefficients of reactions are uniform and the concentration is uniform over the inflow boundary. We hypothesize that the assumption still holds when adding some dispersion in coupled flow and transport dynamics. We compare a two-dimensional, spatially explicit, bioreactive, advective-dispersive transport model, considered as "virtual truth", with three 1-D travel-time based models which differ by the conceptualization of longitudinal dispersion: (i) neglecting dispersive mixing altogether, (ii) introducing a local-scale longitudinal dispersivity constant in time and space, and (iii) using an effective longitudinal dispersivity that increases linearly with distance. We consider biodegradation of organic matter catalyzed by non-competitive inhibitive microbial populations. The simulated inflow contains oxygen, nitrate, and DOC. The domain contains growing aerobic and denitrifying bacteria, the latter being inhibited by oxygen. This system is computed in 1-D, and in 2-D heterogeneous domains. We conclude that the conceptualization of nonlinear bioreactive transport in complex multi-dimensional domains by quasi 1-D travel-time models is valid for steady-state flow if the reactants are introduced over a wide cross-section, flow is at quasi-steady state, and dispersive

  3. The SEL macroscopic modeling code

    NASA Astrophysics Data System (ADS)

    Glasser, A. H.; Tang, X. Z.

    2004-12-01

    The SEL (Spectral ELement) macroscopic modeling code for magnetically confined plasma combines adaptive spectral element spatial discretization and nonlinearly implicit time stepping via Newton's method on massively parallel computers. Static condensation is implemented to construct the Shur complement of the Jacobian matrix, which greatly accelerates the linear system solution and distinguishes itself from conventional Newton-Krylov schemes. Grid alignment with the evolving magnetic field, implemented with a variational principle, is a key component of grid adaptation in SEL, and is critical to toroidal plasma applications. Results of 2D magnetic reconnection are shown to illustrate the accuracy and efficiency of the parallel algorithms built on the Portable, Extensible Toolkits for Scientific Computing (PETSC) framework.

  4. On the validity of travel-time based nonlinear bioreactive transport models in steady-state flow

    NASA Astrophysics Data System (ADS)

    Sanz-Prat, Alicia; Lu, Chuanhe; Finkel, Michael; Cirpka, Olaf A.

    2015-04-01

    Travel-time based models simplify the description of reactive transport by replacing the spatial coordinates with the groundwater travel time, posing a quasi one-dimensional (1-D) problem and potentially rendering the determination of multidimensional parameter fields unnecessary. While the approach is exact for strictly advective transport in steady-state flow if the reactive properties of the porous medium are uniform, its validity is unclear when local-scale mixing affects the reactive behavior. We compare a two-dimensional (2-D), spatially explicit, bioreactive, advective-dispersive transport model, considered as "virtual truth", with three 1-D travel-time based models which differ in the conceptualization of longitudinal dispersion: (i) neglecting dispersive mixing altogether, (ii) introducing a local-scale longitudinal dispersivity constant in time and space, and (iii) using an effective longitudinal dispersivity that increases linearly with distance. The reactive system considers biodegradation of dissolved organic carbon, which is introduced into a hydraulically heterogeneous domain together with oxygen and nitrate. Aerobic and denitrifying bacteria use the energy of the microbial transformations for growth. We analyze six scenarios differing in the variance of log-hydraulic conductivity and in the inflow boundary conditions (constant versus time-varying concentration). The concentrations of the 1-D models are mapped to the 2-D domain by means of the kinematic (for case i), and mean groundwater age (for cases ii & iii), respectively. The comparison between concentrations of the "virtual truth" and the 1-D approaches indicates extremely good agreement when using an effective, linearly increasing longitudinal dispersivity in the majority of the scenarios, while the other two 1-D approaches reproduce at least the concentration tendencies well. At late times, all 1-D models give valid approximations of two-dimensional transport. We conclude that the

  5. On the validity of travel-time based nonlinear bioreactive transport models in steady-state flow.

    PubMed

    Sanz-Prat, Alicia; Lu, Chuanhe; Finkel, Michael; Cirpka, Olaf A

    2015-01-01

    Travel-time based models simplify the description of reactive transport by replacing the spatial coordinates with the groundwater travel time, posing a quasi one-dimensional (1-D) problem and potentially rendering the determination of multidimensional parameter fields unnecessary. While the approach is exact for strictly advective transport in steady-state flow if the reactive properties of the porous medium are uniform, its validity is unclear when local-scale mixing affects the reactive behavior. We compare a two-dimensional (2-D), spatially explicit, bioreactive, advective-dispersive transport model, considered as "virtual truth", with three 1-D travel-time based models which differ in the conceptualization of longitudinal dispersion: (i) neglecting dispersive mixing altogether, (ii) introducing a local-scale longitudinal dispersivity constant in time and space, and (iii) using an effective longitudinal dispersivity that increases linearly with distance. The reactive system considers biodegradation of dissolved organic carbon, which is introduced into a hydraulically heterogeneous domain together with oxygen and nitrate. Aerobic and denitrifying bacteria use the energy of the microbial transformations for growth. We analyze six scenarios differing in the variance of log-hydraulic conductivity and in the inflow boundary conditions (constant versus time-varying concentration). The concentrations of the 1-D models are mapped to the 2-D domain by means of the kinematic (for case i), and mean groundwater age (for cases ii & iii), respectively. The comparison between concentrations of the "virtual truth" and the 1-D approaches indicates extremely good agreement when using an effective, linearly increasing longitudinal dispersivity in the majority of the scenarios, while the other two 1-D approaches reproduce at least the concentration tendencies well. At late times, all 1-D models give valid approximations of two-dimensional transport. We conclude that the

  6. Genetically encoding new bioreactivity.

    PubMed

    Wang, Lei

    2017-09-25

    The genetic code can be expanded to include unnatural amino acids (Uaas) by engineering orthogonal components involved in protein translation. To be compatible with live cells, side chains of Uaas have been limited to either chemically inert or bio-orthogonal (i.e., nonreactive toward biomolecules) functionalities. To introduce bioreactivity into live systems, the genetic code has recently been engineered to encode a new class of Uaas, the bioreactive Uaas. These Uaas, after being incorporated into proteins, specifically react with target natural amino acid residues via proximity-enabled bioreactivity, enabling the selective formation of new covalent linkages within and between proteins both in vitro and in live systems. The new covalent bonding ability has been harnessed within proteins to enhance photostability, increase thermostability, staple proteins recombinantly, and build optical nano-switches, and between proteins to pinpoint ligand-receptor interaction, target native receptors irreversibly, and generate covalent macromolecular inhibitors. These diverse bioreactivities, inaccessible to natural proteins, thus open doors to novel protein engineering and provide new avenues for biological studies, biotherapeutics and synthetic biology. Copyright © 2016 Elsevier B.V. All rights reserved.

  7. Spin models as microfoundation of macroscopic market models

    NASA Astrophysics Data System (ADS)

    Krause, Sebastian M.; Bornholdt, Stefan

    2013-09-01

    Macroscopic price evolution models are commonly used for investment strategies. There are first promising achievements in defining microscopic agent based models for the same purpose. Microscopic models allow a deeper understanding of mechanisms in the market than the purely phenomenological macroscopic models, and thus bear the chance for better models for market regulation. However microscopic models and macroscopic models are commonly studied separately. Here, we exemplify a unified view of a microscopic and a macroscopic market model in a case study, deducing a macroscopic Langevin equation from a microscopic spin market model closely related to the Ising model. The interplay of the microscopic and the macroscopic view allows for a better understanding and adjustment of the microscopic model, as well, and may guide the construction of agent based market models as basis of macroscopic models.

  8. Macroscopic Modeling of Polymer-Electrolyte Membranes

    SciTech Connect

    Weber, A.Z.; Newman, J.

    2007-04-01

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

  9. Adsorption modeling for macroscopic contaminant dispersal analysis

    SciTech Connect

    Axley, J.W.

    1990-05-01

    Two families of macroscopic adsorption models are formulated, based on fundamental principles of adsorption science and technology, that may be used for macroscopic (such as whole-building) contaminant dispersal analysis. The first family of adsorption models - the Equilibrium Adsorption (EA) Models - are based upon the simple requirement of equilibrium between adsorbent and room air. The second family - the Boundary Layer Diffusion Controlled Adsorption (BLDC) Models - add to the equilibrium requirement a boundary layer model for diffusion of the adsorbate from the room air to the adsorbent surface. Two members of each of these families are explicitly discussed, one based on the linear adsorption isotherm model and the other on the Langmuir model. The linear variants of each family are applied to model the adsorption dynamics of formaldehyde in gypsum wall board and compared to measured data.

  10. Relating Macroscopic Thermal Phenomena with Molecular Models

    NASA Astrophysics Data System (ADS)

    Laws, Priscilla W.

    2002-03-01

    A series of observations and activities have been developed to help students enrich their understanding of how physicists can use model building to construct self-consistent models of physical reality.* This talk will describe the instructional use of integrated microcomputer-based laboratory measurements of macroscopic phenomena and digital video analysis of simulated microscopic events to help students understand the ideal gas law, the first law of thermodynamics, and heat engines. *Workshop Physics Activity Guide (Module 3), P. Laws, (John Wiley and Sons, Inc., NY, 1997).

  11. Macroscopic balance model for wave rotors

    NASA Technical Reports Server (NTRS)

    Welch, Gerard E.

    1996-01-01

    A mathematical model for multi-port wave rotors is described. The wave processes that effect energy exchange within the rotor passage are modeled using one-dimensional gas dynamics. Macroscopic mass and energy balances relate volume-averaged thermodynamic properties in the rotor passage control volume to the mass, momentum, and energy fluxes at the ports. Loss models account for entropy production in boundary layers and in separating flows caused by blade-blockage, incidence, and gradual opening and closing of rotor passages. The mathematical model provides a basis for predicting design-point wave rotor performance, port timing, and machine size. Model predictions are evaluated through comparisons with CFD calculations and three-port wave rotor experimental data. A four-port wave rotor design example is provided to demonstrate model applicability. The modeling approach is amenable to wave rotor optimization studies and rapid assessment of the trade-offs associated with integrating wave rotors into gas turbine engine systems.

  12. A review of macroscopic thrombus modeling methods.

    PubMed

    Cito, Salvatore; Mazzeo, Marco Domenico; Badimon, Lina

    2013-02-01

    Hemodynamics applied to mechanobiology offers powerful means to predict thrombosis, and to understand the kinetics of thrombus formation on areas of vascular damage in blood flowing through the human circulatory system. Specifically, the advances in computational processing and the progress in modeling complex biological processes with spatio-temporal multi-scale methods have the potential to shift the way in which cardiovascular diseases are diagnosed and treated. This article systematically surveys the state of the art of macroscopic computational fluid dynamics (CFD) Computational fluid dynamics techniques for modeling thrombus formation, highlighting their strengths and weaknesses. In particular, a comprehensive and systematic revision of the hemodynamics models and methods is given, and the strengths and weaknesses of those employed for studying thrombus formation are highlighted. Copyright © 2012 Elsevier Ltd. All rights reserved.

  13. Macroscopic model for solvated ion dynamics

    NASA Astrophysics Data System (ADS)

    Chen, J.-H.; Adelman, S. A.

    1980-02-01

    A macroscopic treatment of solvated ion dynamics is developed and applied to calculate the limiting (zero concentration) conductance of cations in several aprotic solvents. The theory is based on a coupled set of electrostatic and hydrodynamic equations for the density, flow, and polarization fields induced in the polar solvent by a moving ion. These equations, which are derived by the Mori projection technique, include crucial local solvent structure (ion solvation) effects through solvent compressibility, and local constitutive parameters. If solvent structure is suppressed, the equations reduce to those derived previously by Onsager and Hubbard [J. B. Hubbard and L. Onsager, J. Chem. Phys. 67, 4850 (1977)]. The macroscopic equations are approximately decoupled into electrostatic and hydrodynamic parts. The decoupled equations are solved assuming a step density, viscosity, and dielectric constant model for the local solvent structure and dynamics. This yields analytic expressions for the viscous, ζV, and dielectric ζD, contributions to the ion friction coefficient. These expressions generalize, respectively, the Stokes and Zwanzig results for the (slip) viscous and dielectric friction so as to account for ion solvation effects. The friction coefficients involve a desolvation function Δ which depends on the local structure (density) and dynamics of the solvent. The drag coefficient results reduce in form to those of Zwanzig (within a flow gradient correction factor of 2/3) and Stokes for both weak (Δ→1) and strong (Δ→0) ion-solvent interaction. For Δ→1 the true ionic radius Ri appears in the drag formulas while for Δ→0 a renormalized solvated ion radius σ=Ri+2Rs (where Rs=solvent molecule radius) appears. The theory is fit to experimental cation conductances in pyridine, acetone, and acetonitrile by representing Δ by a two parameter switching function. Agreement between the model and experiment is satisfactory for all three solvents. Moreover

  14. Macroscopic model of scanning force microscope

    DOEpatents

    Guerra-Vela, Claudio; Zypman, Fredy R.

    2004-10-05

    A macroscopic version of the Scanning Force Microscope is described. It consists of a cantilever under the influence of external forces, which mimic the tip-sample interactions. The use of this piece of equipment is threefold. First, it serves as direct way to understand the parts and functions of the Scanning Force Microscope, and thus it is effectively used as an instructional tool. Second, due to its large size, it allows for simple measurements of applied forces and parameters that define the state of motion of the system. This information, in turn, serves to compare the interaction forces with the reconstructed ones, which cannot be done directly with the standard microscopic set up. Third, it provides a kinematics method to non-destructively measure elastic constants of materials, such as Young's and shear modules, with special application for brittle materials.

  15. Microwave Diffraction Techniques from Macroscopic Crystal Models

    ERIC Educational Resources Information Center

    Murray, William Henry

    1974-01-01

    Discusses the construction of a diffractometer table and four microwave models which are built of styrofoam balls with implanted metallic reflecting spheres and designed to simulate the structures of carbon (graphite structure), sodium chloride, tin oxide, and palladium oxide. Included are samples of Bragg patterns and computer-analysis results.…

  16. Microwave Diffraction Techniques from Macroscopic Crystal Models

    ERIC Educational Resources Information Center

    Murray, William Henry

    1974-01-01

    Discusses the construction of a diffractometer table and four microwave models which are built of styrofoam balls with implanted metallic reflecting spheres and designed to simulate the structures of carbon (graphite structure), sodium chloride, tin oxide, and palladium oxide. Included are samples of Bragg patterns and computer-analysis results.…

  17. Microscopic to Macroscopic Dynamical Models of Sociality

    NASA Astrophysics Data System (ADS)

    Solis Salas, Citlali; Woolley, Thomas; Pearce, Eiluned; Dunbar, Robin; Maini, Philip; Social; Evolutionary Neuroscience Research Group (Senrg) Collaboration

    To help them survive, social animals, such as humans, need to share knowledge and responsibilities with other members of the species. The larger their social network, the bigger the pool of knowledge available to them. Since time is a limited resource, a way of optimising its use is meeting amongst individuals whilst fulfilling other necessities. In this sense it is useful to know how many, and how often, early humans could meet during a given period of time whilst performing other necessary tasks, such as food gathering. Using a simplified model of these dynamics, which comprehend encounter and memory, we aim at producing a lower-bound to the number of meetings hunter-gatherers could have during a year. We compare the stochastic agent-based model to its mean-field approximation and explore some of the features necessary for the difference between low population dynamics and its continuum limit. We observe an emergent property that could have an inference in the layered structure seen in each person's social organisation. This could give some insight into hunter-gatherer's lives and the development of the social layered structure we have today. With support from the Mexican Council for Science and Technology (CONACyT), the Public Education Secretariat (SEP), and the Mexican National Autonomous University's Foundation (Fundacion UNAM).

  18. Analysis and Enhancements of a Prolific Macroscopic Model of Epilepsy

    PubMed Central

    Fietkiewicz, Christopher; Loparo, Kenneth A.

    2016-01-01

    Macroscopic models of epilepsy can deliver surprisingly realistic EEG simulations. In the present study, a prolific series of models is evaluated with regard to theoretical and computational concerns, and enhancements are developed. Specifically, we analyze three aspects of the models: (1) Using dynamical systems analysis, we demonstrate and explain the presence of direct current potentials in the simulated EEG that were previously undocumented. (2) We explain how the system was not ideally formulated for numerical integration of stochastic differential equations. A reformulated system is developed to support proper methodology. (3) We explain an unreported contradiction in the published model specification regarding the use of a mathematical reduction method. We then use the method to reduce the number of equations and further improve the computational efficiency. The intent of our critique is to enhance the evolution of macroscopic modeling of epilepsy and assist others who wish to explore this exciting class of models further. PMID:27144054

  19. Wave speeds in the macroscopic extended model for ultrarelativistic gases

    SciTech Connect

    Borghero, F.; Demontis, F.; Pennisi, S.

    2013-11-15

    Equations determining wave speeds for a model of ultrarelativistic gases are investigated. This model is already present in literature; it deals with an arbitrary number of moments and it was proposed in the context of exact macroscopic approaches in Extended Thermodynamics. We find these results: the whole system for the determination of the wave speeds can be divided into independent subsystems which are expressed by linear combinations, through scalar coefficients, of tensors all of the same order; some wave speeds, but not all of them, are expressed by square roots of rational numbers; finally, we prove that these wave speeds for the macroscopic model are the same of those furnished by the kinetic model.

  20. Macroscopic modeling for traffic flow on three-lane highways

    NASA Astrophysics Data System (ADS)

    Chen, Jianzhong; Fang, Yuan

    2015-04-01

    In this paper, a macroscopic traffic flow model for three-lane highways is proposed. The model is an extension of the speed gradient model by taking into account the lane changing. The new source and sink terms of lane change rate are added into the continuity equations and the speed dynamic equations to describe the lane-changing behavior. The result of the steady state analysis shows that our model can describe the lane usage inversion phenomenon. The numerical results demonstrate that the present model effectively reproduces several traffic phenomena observed in real traffic such as shock and rarefaction waves, stop-and-go waves and local clusters.

  1. Fission barriers in a macroscopic-microscopic model

    SciTech Connect

    Dobrowolski, A.; Pomorski, K.; Bartel, J.

    2007-02-15

    In the framework of the macroscopic-microscopic model, this study investigates fission barriers in the region of actinide nuclei. A very effective four-dimensional shape parametrization for fissioning nuclei is proposed. Taking, in particular, the left-right mass asymmetric and nonaxial shapes into account is demonstrated to have a substantial effect on fission barrier heights. The influence of proton versus neutron deformation differences on the potential energy landscape of fissioning nuclei is also discussed.

  2. Understanding the Pulsar High Energy Emission: Macroscopic and Kinetic Models

    NASA Astrophysics Data System (ADS)

    Kalapotharakos, Constantinos; Brambilla, Gabriele; Timokhin, Andrey; Kust Harding, Alice; Kazanas, Demos

    2017-08-01

    Pulsars are extraordinary objects powered by the rotation of magnetic fields of order 10^8, 10^12G anchored onto neutron stars and rotating with periods 10^(-3)-10s. These fields mediate the conversion of their rotational energy into MHD winds and at the same time accelerate particles to energies sufficiently high to produce GeV photons. Fermi, since its launch in 2008, has established several trends among the observed gamma-ray pulsar properties playing a catalytic role in the current modeling of the high energy emission in pulsar magnetospheres. We judiciously use the guidance provided by the Fermi data to yield meaningful constraints on the macroscopic parameters of our global dissipative pulsar magnetosphere models. Our FIDO (Force-Free Inside, Dissipative Outside) models indicate that the dissipative regions lie outside the light cylinder near the equatorial current sheet. Our models reproduce the light-curve phenomenology while a detailed comparison of the model spectral properties with those observed by Fermi reveals the dependence of the macroscopic conductivity parameter on the spin-down rate providing a unique insight into the understanding of the physical mechanisms behind the high-energy emission in pulsar magnetospheres. Finally, we further exploit these important results by building self-consistent 3D global kinetic particle-in-cell (PIC) models which, eventually, provide the dependence of the macroscopic parameter behavior (e.g. conductivity) on the microphysical properties (e.g. particle multiplicities, particle injection rates). Our PIC models provide field structures and particle distributions that are not only consistent with each other but also able to reproduce a broad range of the observed gamma-ray phenomenology (light curves and spectral properties) of both young and millisecond pulsars.

  3. Improved macroscopic traffic flow model for aggressive drivers

    SciTech Connect

    Mendez, A. R.; Velasco, R. M.

    2011-03-24

    As has been done for the treatment of diluted gases, kinetic methods are formulated for the study of unidirectional freeway traffic. Fluid dynamic models obtained from kinetic equations have inherent restrictions, the principal one is the restriction to the low density regime. Macroscopic models obtained from kinetic equations tends to selfrestrict to this regime and makes impossible to observe the medium density region. In this work, we present some results heading to improve this model and extend the observable region. Now, we are presenting a fluid dynamic model for aggressive drivers obtained from kinetic assumptions to extend the model to the medium density region in order to study synchronization phenomena which is a very interesting transition phase between free flow and traffic jams. We are changing the constant variance prefactor condition imposed before by a variance prefactor density dependent, the numerical solution of the model is presented, analyzed and contrasted with the previous one. We are also comparing our results with heuristic macroscopic models and real traffic observations.

  4. Macroscopic traffic modeling with the finite difference method

    SciTech Connect

    Mughabghab, S.; Azarm, A.; Stock, D.

    1996-03-15

    A traffic congestion forecasting model (ATOP), developed in the present investigation, is described briefly. Several macroscopic models, based on the solution of the partial differential equation of conservation of vehicles by the finite difference method, were tested using actual traffic data. The functional form, as well as the parameters, of the equation of state which describes the relation between traffic speed and traffic density, were determined for a section of the Long Island Expressway. The Lax method and the forward difference technique were applied. The results of extensive tests showed that the Lax method, in addition to giving very good agreement with the traffic data, produces stable solutions.

  5. Multiscale modelling of pharmaceutical powders: Macroscopic behaviour prediction

    NASA Astrophysics Data System (ADS)

    Loh, Jonathan; Ketterhagen, William; Elliott, James

    2013-06-01

    The pharmaceutical industry uses computer models at many stages during drug development. Quantum and molecular models are used to predict the crystal structures of potential active pharmaceutical ingredients (APIs), whereas discrete element models are used to optimise the mechanical properties of mixtures of APIs and excipient powders. The present work combines the strengths of modelling from all of the mentioned length scales to predict the behaviour of macroscopic powder granules from first principles using the molecular and crystal structures of acetazolamide as an example API. Starting with a single molecule of acetazolamide, ab initio self-consistent field calculations were used to calculate the equilibrium gas phase structure, vibrational spectra, interaction energy with water molecules and perform potential energy scans. By using these results and following the CHARMM General Force Field parameterisation process, all of the parameters required to perform a molecular dynamics simulation were iteratively determined using the CHARMM program. Next, by using crystallographic data from literature, the monoclinic and triclinic forms of the acetazolamide crystal were simulated. Material properties like the Young's modulus and Poisson ratio, and surface energies have been calculated. These material properties are then used as input parameters in a discrete element model containing Thornton's plastic model and the JKR cohesive force to predict the behaviour of macroscopic acetazolamide powder in angle of repose tests and tabletting simulations. Similar methodologies can be employed in the future to evaluate at an early stage the performance of novel APIs and excipients for tabletting applications.

  6. A macroscopic analytical model of collaboration in distributed robotic systems.

    PubMed

    Lerman, K; Galstyan, A; Martinoli, A; Ijspeert, A

    2001-01-01

    In this article, we present a macroscopic analytical model of collaboration in a group of reactive robots. The model consists of a series of coupled differential equations that describe the dynamics of group behavior. After presenting the general model, we analyze in detail a case study of collaboration, the stick-pulling experiment, studied experimentally and in simulation by Ijspeert et al. [Autonomous Robots, 11, 149-171]. The robots' task is to pull sticks out of their holes, and it can be successfully achieved only through the collaboration of two robots. There is no explicit communication or coordination between the robots. Unlike microscopic simulations (sensor-based or using a probabilistic numerical model), in which computational time scales with the robot group size, the macroscopic model is computationally efficient, because its solutions are independent of robot group size. Analysis reproduces several qualitative conclusions of Ijspeert et al.: namely, the different dynamical regimes for different values of the ratio of robots to sticks, the existence of optimal control parameters that maximize system performance as a function of group size, and the transition from superlinear to sublinear performance as the number of robots is increased.

  7. A macroscopic model of traffic jams in axons.

    PubMed

    Kuznetsov, A V; Avramenko, A A

    2009-04-01

    The purpose of this paper is to develop a minimal macroscopic model capable of explaining the formation of traffic jams in fast axonal transport. The model accounts for the decrease of the number density of positively (and negatively) oriented microtubules near the location of the traffic jam due to formation of microtubule swirls; the model also accounts for the reduction of the effective velocity of organelle transport in the traffic jam region due to organelles falling off microtubule tracks more often in the swirl region. The model is based on molecular-motor-assisted transport equations and the hydrodynamic model of traffic jams in highway traffic. Parametric analyses of the model's predictions for various values of viscosity of the traffic flow, variance of the velocity distribution, diffusivity of microtubule-bound and free organelles, rate constants for binding to and detachment from microtubules, relaxation time, and average motor velocities of the retrograde and anterograde transport, are carried out.

  8. Macroscopic model of phospholipid vesicle spreading and rupture.

    PubMed

    Efremov, A; Mauro, J C; Raghavan, S

    2004-07-06

    We present a macroscopic model for the spreading and rupture of a spherical lipid vesicle on a flat, isotropic, hydrophilic surface. Formulas for the free energy of the initial and final states are derived, and the details of spreading pathways are examined. We show that the activation barrier for vesicle rupture is too large to be overcome by thermal fluctuations at room temperature and the final configuration is more likely to consist of a deflated vesicle. In order for the vesicle to rupture into a planar bilayer, it would have to be aided by increased temperature, application of an external force, or preparation of a mixed hydrophilic/ hydrophobic surface.

  9. Unifying evolutionary dynamics: from individual stochastic processes to macroscopic models.

    PubMed

    Champagnat, Nicolas; Ferrière, Régis; Méléard, Sylvie

    2006-05-01

    A distinctive signature of living systems is Darwinian evolution, that is, a propensity to generate as well as self-select individual diversity. To capture this essential feature of life while describing the dynamics of populations, mathematical models must be rooted in the microscopic, stochastic description of discrete individuals characterized by one or several adaptive traits and interacting with each other. The simplest models assume asexual reproduction and haploid genetics: an offspring usually inherits the trait values of her progenitor, except when a mutation causes the offspring to take a mutation step to new trait values; selection follows from ecological interactions among individuals. Here we present a rigorous construction of the microscopic population process that captures the probabilistic dynamics over continuous time of birth, mutation, and death, as influenced by the trait values of each individual, and interactions between individuals. A by-product of this formal construction is a general algorithm for efficient numerical simulation of the individual-level model. Once the microscopic process is in place, we derive different macroscopic models of adaptive evolution. These models differ in the renormalization they assume, i.e. in the limits taken, in specific orders, on population size, mutation rate, mutation step, while rescaling time accordingly. The macroscopic models also differ in their mathematical nature: deterministic, in the form of ordinary, integro-, or partial differential equations, or probabilistic, like stochastic partial differential equations or superprocesses. These models include extensions of Kimura's equation (and of its approximation for small mutation effects) to frequency- and density-dependent selection. A novel class of macroscopic models obtains when assuming that individual birth and death occur on a short timescale compared with the timescale of typical population growth. On a timescale of very rare mutations, we

  10. The geochemistry and bioreactivity of fly-ash from coal-burning power stations.

    PubMed

    Jones, Timothy; Wlodarczyk, Anna; Koshy, Lata; Brown, Patrick; Shao, Longyi; BéruBé, Kelly

    2009-07-01

    Fly-ash is a byproduct of the combustion of coal in power stations for the generation of electricity. The fly-ash forms from the melting of incombustible minerals found naturally in the coal. The very high coal combustion temperatures result in the formation of microscopic glass particles from which minerals such as quartz, haematite and mullite can later recrystallize. In addition to these minerals, the glassy fly-ash contains a number of leachable metals. Mullite is a well-known material in the ceramics industry and a known respiratory hazard. Macroscopically mullite can be found in a large range of morphologies; however microscopic crystals appear to favour a fibrous habit. Fly-ash is a recognized bioreactive material in rat lung, generating hydroxyl radicals, releasing iron, and causing DNA damage. However, the mechanisms of the bioreactivity are still unclear and the relative contributions of the minerals and leachable metals to that toxicity are not well known.

  11. A macroscopic scale model of bacterial flagellar bundling

    PubMed Central

    Kim, MunJu; Bird, James C.; Van Parys, Annemarie J.; Breuer, Kenneth S.; Powers, Thomas R.

    2003-01-01

    Escherichia coli and other bacteria use rotating helical filaments to swim. Each cell typically has about four filaments, which bundle or disperse depending on the sense of motor rotation. To study the bundling process, we built a macroscopic scale model consisting of stepper motor-driven polymer helices in a tank filled with a high-viscosity silicone oil. The Reynolds number, the ratio of viscous to elastic stresses, and the helix geometry of our experimental model approximately match the corresponding quantities of the full-scale E. coli cells. We analyze digital video images of the rotating helices to show that the initial rate of bundling is proportional to the motor frequency and is independent of the characteristic relaxation time of the filament. We also determine which combinations of helix handedness and sense of motor rotation lead to bundling. PMID:14671319

  12. Macroscopic-microscopic model of nuclear potential energy

    NASA Astrophysics Data System (ADS)

    Tamagno, Pierre; Bouland, Olivier; Serot, Olivier; Moller, Peter

    2017-09-01

    To improve the evaluation of nuclear observables, refined models are to be used more and more as underlying analysis tools. Fission is a complex process and is the less accurately described with current models. Standard evaluation models rely on the Hill-Wheeler formalism for the fission transmission coefficient, which in turns is based on phenomenological parameters "reflecting" the fission barrier heights and widths. To reduce the weight of phenomenology in the evaluation process, nuclear structure models are expected to embed more and more microscopic descriptions. As models are rarely exact, evaluators are often compelled to "tune" model parameters so that observables can be properly reproduced. Related computation time can thus be a major hindrance to the use of advanced models in evaluation as final adjustments are expected to remain necessary. For this reason, a macroscopic-microscopic model has been selected to replace the current phenomenological description of fission barriers. The Finite-Range Liquid-Drop Model (FRLDM) has been implemented in the CONRAD evaluation code and its present implementation shows remarkable consistency with experimental and published benchmark data. The CONRAD code can be used to provide expectation values but also related uncertainties and covariance data. Sensitivity of FRLDM parameters and the correlation matrix between these parameters have been obtained so that further uncertainty propagation on barrier heights can be carried out in the near future.

  13. Towards a macroscopic modeling of the complexity in traffic flow.

    PubMed

    Rosswog, Stephan; Wagner, Peter

    2002-03-01

    Based on the assumption of a safe velocity U(e)(rho) depending on the vehicle density rho, a macroscopic model for traffic flow is presented that extends the model of the Kühne-Kerner-Konhäuser by an interaction term containing the second derivative of U(e)(rho). We explore two qualitatively different forms of U(e): a conventional Fermi-type function and, motivated by recent experimental findings, a function that exhibits a plateau at intermediate densities, i.e., in this density regime the exact distance to the car ahead is only of minor importance. To solve the fluid-like equations a Lagrangian particle scheme is developed. The suggested model shows a much richer dynamical behavior than the usual fluid-like models. A large variety of encountered effects is known from traffic observations, many of which are usually assigned to the elusive state of "synchronized flow." Furthermore, the model displays alternating regimes of stability and instability at intermediate densities. It can explain data scatter in the fundamental diagram and complicated jam patterns. Within this model, a consistent interpretation of the emergence of very different traffic phenomena is offered: they are determined by the velocity relaxation time, i.e., the time needed to relax towards U(e)(rho). This relaxation time is a measure of the average acceleration capability and can be attributed to the composition (e.g., the percentage of trucks) of the traffic flow.

  14. Macroscopic singlet oxygen model incorporating photobleaching as an input parameter

    NASA Astrophysics Data System (ADS)

    Kim, Michele M.; Finlay, Jarod C.; Zhu, Timothy C.

    2015-03-01

    A macroscopic singlet oxygen model for photodynamic therapy (PDT) has been used extensively to calculate the reacted singlet oxygen concentration for various photosensitizers. The four photophysical parameters (ξ, σ, β, δ) and threshold singlet oxygen dose ([1O2]r,sh) can be found for various drugs and drug-light intervals using a fitting algorithm. The input parameters for this model include the fluence, photosensitizer concentration, optical properties, and necrosis radius. An additional input variable of photobleaching was implemented in this study to optimize the results. Photobleaching was measured by using the pre-PDT and post-PDT sensitizer concentrations. Using the RIF model of murine fibrosarcoma, mice were treated with a linear source with fluence rates from 12 - 150 mW/cm and total fluences from 24 - 135 J/cm. The two main drugs investigated were benzoporphyrin derivative monoacid ring A (BPD) and 2-[1-hexyloxyethyl]-2-devinyl pyropheophorbide-a (HPPH). Previously published photophysical parameters were fine-tuned and verified using photobleaching as the additional fitting parameter. Furthermore, photobleaching can be used as an indicator of the robustness of the model for the particular mouse experiment by comparing the experimental and model-calculated photobleaching ratio.

  15. Nonclassical interactions portrait in a macroscopic pedestrian flow model

    NASA Astrophysics Data System (ADS)

    Rosini, Massimiliano D.

    In this paper we describe the main characteristics of the macroscopic model for pedestrian flows introduced in [R.M. Colombo, M.D. Rosini, Pedestrian flows and non-classical shocks, Math. Methods Appl. Sci. 28 (13) (2005) 1553-1567] and recently sperimentally verified in [D. Helbing, A. Johansson, H.Z. Al-Abideen, Dynamics of crowd disasters: An empirical study, Phys. Rev. E (Statistical, Nonlinear, and Soft Matter Physics) 75 (4) (2007) 046109]. After a detailed study of all the possible wave interactions, we prove the existence of a weighted total variation that does not increase after any interaction. This is the main ingredient used in [R.M. Colombo, M.D. Rosini, Existence of nonclassical Cauchy problem modeling pedestrian flows, technical report, Brescia Department of Mathematics, 2008] to tackle the Cauchy problem through wave front tracking, see [A. Bressan, Hyperbolic Systems of Conservation Laws. The One-Dimensional Cauchy Problem, Oxford Lecture Ser. Math. Appl., vol. 20, Oxford Univ. Press, Oxford, 2000, The one-dimensional Cauchy problem; A. Bressan, The front tracking method for systems of conservation laws, in: C.M. Dafermos, E. Feireisl (Eds.), Handbook of Differential Equations; Evolutionary Equations, vol. 1, Elsevier, 2004, pp. 87-168; R.M. Colombo, Wave front tracking in systems of conservation laws, Appl. Math. 49 (6) (2004) 501-537]. From the mathematical point of view, this model is one of the few examples of conservation laws in which nonclassical solutions have a physical motivation, see [P.G. Lefloch, Hyperbolic Systems of Conservation Laws, Lectures Math. ETH Zürich, Birkhäuser, Basel, 2002, The theory of classical and nonclassical shock waves], and an existence result is available.

  16. Macroscopic Computational Model of Dielectric Barrier Discharge Plasma Actuators

    DTIC Science & Technology

    2006-02-01

    Impulse Density Weighting ....................I-16 20. Boeuf and Pitchford Estimation of Wall- Jet Velocity...I-17 21. Boeuf and Pitchford Estimation of Wall- Jet Velocity (Close-up) ...........................I-17 22. Macroscopic View of X-momentum...II-4 28. Estimated Wall Jet Peak Velocity Magnitude (m/s) Compared to the Free Stream Velocity (m/s

  17. Macroscopic model and truncation error of discrete Boltzmann method

    NASA Astrophysics Data System (ADS)

    Hwang, Yao-Hsin

    2016-10-01

    A derivation procedure to secure the macroscopically equivalent equation and its truncation error for discrete Boltzmann method is proffered in this paper. Essential presumptions of two time scales and a small parameter in the Chapman-Enskog expansion are disposed of in the present formulation. Equilibrium particle distribution function instead of its original non-equilibrium form is chosen as key variable in the derivation route. Taylor series expansion encompassing fundamental algebraic manipulations is adequate to realize the macroscopically differential counterpart. A self-contained and comprehensive practice for the linear one-dimensional convection-diffusion equation is illustrated in details. Numerical validations on the incurred truncation error in one- and two-dimensional cases with various distribution functions are conducted to verify present formulation. As shown in the computational results, excellent agreement between numerical result and theoretical prediction are found in the test problems. Straightforward extensions to more complicated systems including convection-diffusion-reaction, multi-relaxation times in collision operator as well as multi-dimensional Navier-Stokes equations are also exposed in the Appendix to point out its expediency in solving complicated flow problems.

  18. Using travel times to simulate multi-dimensional bioreactive transport in time-periodic flows.

    PubMed

    Sanz-Prat, Alicia; Lu, Chuanhe; Finkel, Michael; Cirpka, Olaf A

    2016-04-01

    In travel-time models, the spatially explicit description of reactive transport is replaced by associating reactive-species concentrations with the travel time or groundwater age at all locations. These models have been shown adequate for reactive transport in river-bank filtration under steady-state flow conditions. Dynamic hydrological conditions, however, can lead to fluctuations of infiltration velocities, putting the validity of travel-time models into question. In transient flow, the local travel-time distributions change with time. We show that a modified version of travel-time based reactive transport models is valid if only the magnitude of the velocity fluctuates, whereas its spatial orientation remains constant. We simulate nonlinear, one-dimensional, bioreactive transport involving oxygen, nitrate, dissolved organic carbon, aerobic and denitrifying bacteria, considering periodic fluctuations of velocity. These fluctuations make the bioreactive system pulsate: The aerobic zone decreases at times of low velocity and increases at those of high velocity. For the case of diurnal fluctuations, the biomass concentrations cannot follow the hydrological fluctuations and a transition zone containing both aerobic and obligatory denitrifying bacteria is established, whereas a clear separation of the two types of bacteria prevails in the case of seasonal velocity fluctuations. We map the 1-D results to a heterogeneous, two-dimensional domain by means of the mean groundwater age for steady-state flow in both domains. The mapped results are compared to simulation results of spatially explicit, two-dimensional, advective-dispersive-bioreactive transport subject to the same relative fluctuations of velocity as in the one-dimensional model. The agreement between the mapped 1-D and the explicit 2-D results is excellent. We conclude that travel-time models of nonlinear bioreactive transport are adequate in systems of time-periodic flow if the flow direction does not change.

  19. Using travel times to simulate multi-dimensional bioreactive transport in time-periodic flows

    NASA Astrophysics Data System (ADS)

    Sanz-Prat, Alicia; Lu, Chuanhe; Finkel, Michael; Cirpka, Olaf A.

    2016-04-01

    In travel-time models, the spatially explicit description of reactive transport is replaced by associating reactive-species concentrations with the travel time or groundwater age at all locations. These models have been shown adequate for reactive transport in river-bank filtration under steady-state flow conditions. Dynamic hydrological conditions, however, can lead to fluctuations of infiltration velocities, putting the validity of travel-time models into question. In transient flow, the local travel-time distributions change with time. We show that a modified version of travel-time based reactive transport models is valid if only the magnitude of the velocity fluctuates, whereas its spatial orientation remains constant. We simulate nonlinear, one-dimensional, bioreactive transport involving oxygen, nitrate, dissolved organic carbon, aerobic and denitrifying bacteria, considering periodic fluctuations of velocity. These fluctuations make the bioreactive system pulsate: The aerobic zone decreases at times of low velocity and increases at those of high velocity. For the case of diurnal fluctuations, the biomass concentrations cannot follow the hydrological fluctuations and a transition zone containing both aerobic and obligatory denitrifying bacteria is established, whereas a clear separation of the two types of bacteria prevails in the case of seasonal velocity fluctuations. We map the 1-D results to a heterogeneous, two-dimensional domain by means of the mean groundwater age for steady-state flow in both domains. The mapped results are compared to simulation results of spatially explicit, two-dimensional, advective-dispersive-bioreactive transport subject to the same relative fluctuations of velocity as in the one-dimensional model. The agreement between the mapped 1-D and the explicit 2-D results is excellent. We conclude that travel-time models of nonlinear bioreactive transport are adequate in systems of time-periodic flow if the flow direction does not change.

  20. Microscopic reversibility and macroscopic irreversibility: A lattice gas model

    NASA Astrophysics Data System (ADS)

    Pérez-Cárdenas, Fernando C.; Resca, Lorenzo; Pegg, Ian L.

    2016-09-01

    We present coarse-grained descriptions and computations of the time evolution of a lattice gas system of indistinguishable particles, whose microscopic laws of motion are exactly reversible, in order to investigate how or what kind of macroscopically irreversible behavior may eventually arise. With increasing coarse-graining and number of particles, relative fluctuations of entropy rapidly decrease and apparently irreversible behavior unfolds. Although that behavior becomes typical in those limits and within a certain range, it is never absolutely irreversible for any individual system with specific initial conditions. Irreversible behavior may arise in various ways. We illustrate one possibility by replacing detailed integer occupation numbers at lattice sites with particle probability densities that evolve diffusively.

  1. Applicability of Travel- and Exposure-Time Concepts to Nonlinear Bioreactive Transport in Groundwater

    NASA Astrophysics Data System (ADS)

    Arie Cirpka, Olaf; Sanz-Prat, Alicia; Loschko, Matthias; Finkel, Michael; Lu, Chuanhe

    2016-04-01

    Travel-time based concepts of modeling subsurface transport have been established as computationally efficient alternatives to spatially explicit simulation methods. The spatial coordinates are replaced by travel time, resulting in one-dimensional transport with a constant „velocity" of unity. The concept is straight forward in linear transport applications, and under these conditions the results are exact provided that the coefficients of linear transport don't vary in space. In nonlinear transport, mixing can jeopardize the validity of the approach. This holds particularly true for transverse mixing, exchanging solute mass between streamtubes. We have performed systematic analyses of nonlinear bioreactive transport, involving oxygen, nitrate, organic carbon, as well as aerobic and denitrifying bacteria to analyzed under which conditions the errors introduced by travel-time and similar formulations are negligible. In steady-state flows with uniform reactive parameters, an excellent agreement between multi-dimensional reactive transport results, affected by transverse dispersion and flow heterogeneity, and one-dimensional travel-time results could be achieved by mapping the reactive-species concentrations to the multi-dimensional domain according to the local mean groundwater age. Aliasing of local transverse dispersion to macroscopically longitudinal mixing can be addressed by using a distance-dependent longitudinal dispersion coefficient. The approach also works for transient flows as long as the direction of flow remains constant and only the magnitude varies. Under these conditions, the groundwater age for the time-averaged velocity field is an adequate mapping variable, provided that flow transients are accounted for in the one- and multi-dimensional simulations. If the reaction takes place only in specific regions, the time of exposure to the according conditions is a better predictor of reactive transport than the overall travel time. Spatially variable

  2. The relation between a microscopic threshold-force model and macroscopic models of adhesion

    NASA Astrophysics Data System (ADS)

    Hulikal, Srivatsan; Bhattacharya, Kaushik; Lapusta, Nadia

    2017-06-01

    This paper continues our recent work on the relationship between discrete contact interactions at the microscopic scale and continuum contact interactions at the macroscopic scale (Hulikal et al., J. Mech. Phys. Solids 76, 144-161, 2015). The focus of this work is on adhesion. We show that a collection of a large number of discrete elements governed by a threshold-force based model at the microscopic scale collectively gives rise to continuum fracture mechanics at the macroscopic scale. A key step is the introduction of an efficient numerical method that enables the computation of a large number of discrete contacts. Finally, while this work focuses on scaling laws, the methodology introduced in this paper can also be used to study rough-surface adhesion.

  3. The relation between a microscopic threshold-force model and macroscopic models of adhesion

    NASA Astrophysics Data System (ADS)

    Hulikal, Srivatsan; Bhattacharya, Kaushik; Lapusta, Nadia

    2017-01-01

    This paper continues our recent work on the relationship between discrete contact interactions at the microscopic scale and continuum contact interactions at the macroscopic scale (Hulikal et al., J. Mech. Phys. Solids 76, 144-161, 2015). The focus of this work is on adhesion. We show that a collection of a large number of discrete elements governed by a threshold-force based model at the microscopic scale collectively gives rise to continuum fracture mechanics at the macroscopic scale. A key step is the introduction of an efficient numerical method that enables the computation of a large number of discrete contacts. Finally, while this work focuses on scaling laws, the methodology introduced in this paper can also be used to study rough-surface adhesion.

  4. Manufacturing of bioreactive nanofibers for bioremediation.

    PubMed

    Tong, Ho-Wang; Mutlu, Baris R; Wackett, Lawrence P; Aksan, Alptekin

    2014-08-01

    Recombinant Escherichia coli (E. coli) cells were successfully encapsulated in reactive membranes comprised of electrospun nanofibers that have biocompatible polyvinyl alcohol (PVA)-based cores entrapping the E. coli and silica-based, mechanically sturdy porous shells. The reactive membranes were produced in a continuous fashion using a coaxial electrospinning system coupled to a microfluidic timer that mixed and regulated the reaction time of the silica precursor and the PVA solution streams. A factorial design method was employed to investigate the effects of the three critical design parameters of the system (the flow rate of the core solution, protrusion of the core needle, and the viscosity of the core solution) and to optimize these parameters for reproducibly and continuously producing high-quality core/shell nanofibers. The feasibility of using the reactive membranes manufactured in this fashion for bioremediation of atrazine, a herbicide, was also investigated. The atrazine degradation rate (0.24 µmol/g of E. coli/min) of the encapsulated E. coli cells expressing the atrazine-dechlorinating enzyme AtzA was measured to be relatively close to that measured with the free cells in solution (0.64 µmol/g of E. coli/min). We show here that the low cost, high flexibility, water insolubility, and high degradation efficiency of the bioreactive membranes manufactured with electrospinning makes it feasible for their wide-spread use in industrial scale bioremediation of contaminated waters.

  5. Macroscopic model for biological fixation and its uncovering idea in Chinese Mongolian traditional osteopathy.

    PubMed

    Zhao, Namula; Li, Xue-en; Wang, Mei; Hu, Da-lai

    2009-08-01

    Splintage external fixation in Chinese Mongolian osteopathy is a biological macroscopic model. In this model, the ideas of self-life "unity of mind and body" and vital natural "correspondence of nature and human" combine the physiological and psychological self-fixation with supplementary external fixation of fracture using small splints. This model implies macroscopic ideas of uncovering fixation and healing: structural stability integrating geometrical "dynamic" stability with mechanical "dynamic" equilibrium and the stability of state integrating statics with dynamics, and osteoblasts with osteoclasts, and psychological stability integrating closed and open systems of human and nature. These ideas indicate a trend of development in modern osteopathy.

  6. A Macroscopic Model for a System of Swarming Agents Using Curvature Control

    NASA Astrophysics Data System (ADS)

    Degond, Pierre; Motsch, Sébastien

    2011-05-01

    In this paper, we study the macroscopic limit of a new model of collective displacement. The model, called PTWA, is a combination of the Vicsek alignment model (Vicsek et al. in Phys. Rev. Lett. 75(6):1226-1229, 1995) and the Persistent Turning Walker (PTW) model of motion by curvature control (Degond and Motsch in J. Stat. Phys. 131(6):989-1021, 2008; Gautrais et al. in J. Math. Biol. 58(3):429-445, 2009). The PTW model was designed to fit measured trajectories of individual fish (Gautrais et al. in J. Math. Biol. 58(3):429-445, 2009). The PTWA model (Persistent Turning Walker with Alignment) describes the displacements of agents which modify their curvature in order to align with their neighbors. The derivation of its macroscopic limit uses the non-classical notion of generalized collisional invariant introduced in (Degond and Motsch in Math. Models Methods Appl. Sci. 18(1):1193-1215, 2008). The macroscopic limit of the PTWA model involves two physical quantities, the density and the mean velocity of individuals. It is a system of hyperbolic type but is non-conservative due to a geometric constraint on the velocity. This system has the same form as the macroscopic limit of the Vicsek model (Degond and Motsch in Math. Models Methods Appl. Sci. 18(1):1193-1215, 2008) (the `Vicsek hydrodynamics') but for the expression of the model coefficients. The numerical computations show that the numerical values of the coefficients are very close. The `Vicsek Hydrodynamic model' appears in this way as a more generic macroscopic model of swarming behavior as originally anticipated.

  7. Analog modeling of Worm-Like Chain molecules using macroscopic beads-on-a-string.

    PubMed

    Tricard, Simon; Feinstein, Efraim; Shepherd, Robert F; Reches, Meital; Snyder, Phillip W; Bandarage, Dileni C; Prentiss, Mara; Whitesides, George M

    2012-07-07

    This paper describes an empirical model of polymer dynamics, based on the agitation of millimeter-sized polymeric beads. Although the interactions between the particles in the macroscopic model and those between the monomers of molecular-scale polymers are fundamentally different, both systems follow the Worm-Like Chain theory.

  8. A macroscopic model for magnetic shape-memory single crystals

    NASA Astrophysics Data System (ADS)

    Bessoud, Anne-Laure; Kružík, Martin; Stefanelli, Ulisse

    2013-04-01

    A rate-independent model for the quasi-static magneto-elastic evolution of a magnetic shape-memory single crystal is presented. In particular, the purely mechanical Souza-Auricchio model for shape-memory alloys is here combined with classical micro-magnetism by suitably associating magnetization and inelastic strain. By balancing the effect of conservative and dissipative actions, a nonlinear evolution PDE system of rate-independent type is obtained. We prove the existence of so-called energetic solutions to this system. Moreover, we discuss several limits for the model corresponding to parameter asymptotics by means of a rigorous Γ-convergence argument.

  9. Use of hybrid discrete cellular models for identification of macroscopic nutrient loss in reaction-diffusion models of tissues.

    PubMed

    Aristotelous, Andreas C; Haider, Mansoor A

    2014-08-01

    Macroscopic models accounting for cellular effects in natural or engineered tissues may involve unknown constitutive terms that are highly dependent on interactions at the scale of individual cells. Hybrid discrete models, which represent cells individually, were used to develop and apply techniques for modeling diffusive nutrient transport and cellular uptake to identify a nonlinear nutrient loss term in a macroscopic reaction-diffusion model of the system. Flexible and robust numerical methods were used, based on discontinuous Galerkin finite elements in space and a Crank-Nicolson temporal discretization. Scales were bridged via averaging operations over a complete set of subdomains yielding data for identification of a macroscopic nutrient loss term that was accurately captured via a fifth-order polynomial. Accuracy of the identified macroscopic model was demonstrated by direct, quantitative comparisons of the tissue and cellular scale models in terms of three error norms computed on a mesoscale mesh.

  10. New micro- and macroscopic models of contact and friction

    NASA Astrophysics Data System (ADS)

    Tworzydlo, W. W.; Cecot, W.; Oden, J. T.; Yew, C. H.

    1993-11-01

    This is the final report for the three year research project dedicated to the development of new asperity-based models of frictional interfaces. The main concept is to combine statistical homogenization methods with a realistic nonlinear finite element analysis of surface micro-asperities, and thus produce new asperity-based models of contact and friction. Research in the project started with the development of a complete theory and software for the statistical homogenization of random surface parameters. The next stage focused on the development of a finite element code for modeling surface asperities. This code is based on a proprietary h/p adaptive finite element kernel, which has been customized for the analysis of elastic and elasto-viscoplastic asperities with contact, molecular-range adhesion, and sliding resistance. To verify the new asperity-based interface models, special experiments were designed and performed for custom-shaped asperities and for rough engineering surfaces. The results of these experiments compare favorably with asperity-based theoretical and numerical predictions, and thus confirm the feasibility and practical value of the new models developed in this project. These models will be applicable in the analysis and control of a broad range of contact and friction phenomena, such as friction-induced squeaks and noises, tribology of bearings, electrical and thermal connectors, the mechanism of wear, and many others.

  11. The future of stellar model atmospheres: macroscopic nightmares?

    NASA Astrophysics Data System (ADS)

    Asplund, M.

    Stellar atmospheres represent unique windows for understanding stellar, galactic and cosmic evolution by being responsible for the emission of stellar spectra. Much progress has been made over the years in modelling stellar atmospheres but still the modelling efforts are hampered by various, often questionable, assumptions and approximations. This review describes promising avenues for improving the realism of stellar model atmospheres for hot (spectral types O, B, A), cool (F, G, K) and very cool (M and later) stars, respectively, in the coming decade. A common theme will be time-dependent 3D hydrodynamical calculations with a detailed non-LTE treatment of the radiative transfer. It is argued that this is fully within the realm of possibility on this time-scale and indeed will be necessary to complement the expected advances on the observational side.

  12. Causality as an emergent macroscopic phenomenon: The Lee-Wick O(N) model

    SciTech Connect

    Grinstein, Benjamin; O'Connell, Donal; Wise, Mark B.

    2009-05-15

    In quantum mechanics the deterministic property of classical physics is an emergent phenomenon appropriate only on macroscopic scales. Lee and Wick introduced Lorentz invariant quantum theories where causality is an emergent phenomenon appropriate for macroscopic time scales. In this paper we analyze a Lee-Wick version of the O(N) model. We argue that in the large-N limit this theory has a unitary and Lorentz invariant S matrix and is therefore free of paradoxes in scattering experiments. We discuss some of its acausal properties.

  13. Macroscopic model for analyzing the electro-optics of uniform lying helix cholesteric liquid crystals

    NASA Astrophysics Data System (ADS)

    Tan, Guanjun; Lee, Yun-Han; Gou, Fangwang; Hu, Minggang; Lan, Yi-Fen; Tsai, Cheng-Yeh; Wu, Shin-Tson

    2017-05-01

    A macroscopic model is developed for analyzing the electro-optics of short-pitch uniform lying helix (ULH) cholesteric liquid crystals (CLCs). Both flexoelectric effect and dielectric effect make important contributions to the maximum transmittance and operation voltage of the ULH devices. Based on the proposed macroscopic approximation, we derive an analytical expression to quantitatively evaluate the relative strength of these two effects. Very good agreement between theory and experiment is achieved. We also investigate the viewing angle of ULH CLC displays and find that their viewing angle characteristics are similar to those of conventional in-plane switching liquid crystal displays.

  14. From microscopic taxation and redistribution models to macroscopic income distributions

    NASA Astrophysics Data System (ADS)

    Bertotti, Maria Letizia; Modanese, Giovanni

    2011-10-01

    We present here a general framework, expressed by a system of nonlinear differential equations, suitable for the modeling of taxation and redistribution in a closed society. This framework allows one to describe the evolution of income distribution over the population and to explain the emergence of collective features based on knowledge of the individual interactions. By making different choices of the framework parameters, we construct different models, whose long-time behavior is then investigated. Asymptotic stationary distributions are found, which enjoy similar properties as those observed in empirical distributions. In particular, they exhibit power law tails of Pareto type and their Lorenz curves and Gini indices are consistent with some real world ones.

  15. Microscopic and macroscopic modeling of femtosecond laser ablation of metals

    NASA Astrophysics Data System (ADS)

    Povarnitsyn, Mikhail E.; Fokin, Vladimir B.; Levashov, Pavel R.

    2015-12-01

    Simulation of femtosecond laser ablation of a bulk aluminum target is performed using two complementary approaches. The first method is single-fluid two-temperature hydrodynamics (HD) completed with a two-temperature equation of state (EOS). The second approach is a combination of classical molecular dynamics (MD) and a continuum model of a free electron subsystem. In both methods, an identical and accurate description of optical and transport properties of the electron subsystem is based on wide-range models reproducing effects of electron heat wave propagation, electron-phonon/ion coupling and laser energy absorption on a time-dependent profile of the dielectric function. For simulation of homogeneous nucleation in a metastable liquid phase, a kinetic model of nucleation is implemented in the HD approach. The phase diagrams of the EOS and MD potential are in good agreement that gives opportunity to compare the dynamics of laser ablation obtained by both methods directly. Results of simulation are presented in the range of incident fluences 0.1-20 J/cm2 and match well with experimental findings for an ablation crater depth. The MD accurately reproduces nonequilibrium phase transitions and takes into account surface effects on nanoscale. The HD approach demonstrates good qualitative agreement with the MD method in the dynamics of phase explosion and spallation. Other advantages and disadvantages of both approaches are examined and discussed.

  16. General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

    NASA Astrophysics Data System (ADS)

    Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

    2015-04-01

    This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

  17. General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures.

    PubMed

    Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

    2015-04-07

    This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

  18. Macroscopic modeling for heat and water vapor transfer in dry snow by homogenization.

    PubMed

    Calonne, Neige; Geindreau, Christian; Flin, Frédéric

    2014-11-26

    Dry snow metamorphism, involved in several topics related to cryospheric sciences, is mainly linked to heat and water vapor transfers through snow including sublimation and deposition at the ice-pore interface. In this paper, the macroscopic equivalent modeling of heat and water vapor transfers through a snow layer was derived from the physics at the pore scale using the homogenization of multiple scale expansions. The microscopic phenomena under consideration are heat conduction, vapor diffusion, sublimation, and deposition. The obtained macroscopic equivalent model is described by two coupled transient diffusion equations including a source term arising from phase change at the pore scale. By dimensional analysis, it was shown that the influence of such source terms on the overall transfers can generally not be neglected, except typically under small temperature gradients. The precision and the robustness of the proposed macroscopic modeling were illustrated through 2D numerical simulations. Finally, the effective vapor diffusion tensor arising in the macroscopic modeling was computed on 3D images of snow. The self-consistent formula offers a good estimate of the effective diffusion coefficient with respect to the snow density, within an average relative error of 10%. Our results confirm recent work that the effective vapor diffusion is not enhanced in snow.

  19. General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

    SciTech Connect

    Liu, Yen Vinokur, Marcel; Panesi, Marco; Sahai, Amal

    2015-04-07

    This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

  20. Macroscopic Modeling of the singlet oxygen production during PDT

    PubMed Central

    Zhu, Timothy C; Finlay, Jarod C.; Zhou, Xiaodong; Li, Jun

    2015-01-01

    Photodynamic therapy (PDT) dose, D, is defined as the absorbed dose by the photosensitizer during photodynamic therapy. It is proportional to the product of photosensitizer concentration and the light fluence. This quantity can be directly characterized during PDT and is considered to be predictive of photodynamic efficacy under ample oxygen supply. For type-II photodynamic interaction, the cell killing is caused by the reaction of cellular acceptors with singlet oxygen. The production of singlet oxygen can be expressed as ηD, where η is the singlet oxygen quantum yield and is a constant under ample oxygen supply. For most PDT, it is desirable to also take into account the effect of tissue oxygenation. We have modeled the coupled kinetics equation of the concentrations of the singlet oxygen, the photosensitizers in ground and triplet states, the oxygen, and tissue acceptors along with the diffusion equation governing the light transport in turbid medium. We have shown that it is possible to express η as a function of local oxygen concentration during PDT and this expression is a good approximation to predict the production of singlet oxygen during PDT. Theoretical estimation of the correlation between the tissue oxygen concentration and hemoglobin concentration, oxygen saturation, and blood flow is presented. PMID:25983366

  1. Dynamic Model and Control of a Photovoltaic Generation System using Energetic Macroscopic Representation

    NASA Astrophysics Data System (ADS)

    Solano, Javier; Duarte, José; Vargas, Erwin; Cabrera, Jhon; Jácome, Andrés; Botero, Mónica; Rey, Juan

    2016-10-01

    This paper addresses the Energetic Macroscopic Representation EMR, the modelling and the control of photovoltaic panel PVP generation systems for simulation purposes. The model of the PVP considers the variations on irradiance and temperature. A maximum power point tracking MPPT algorithm is considered to control the power converter. A novel EMR is proposed to consider the dynamic model of the PVP with variations in the irradiance and the temperature. The EMR is evaluated through simulations of a PVP generation system.

  2. Microscopic Simulation and Macroscopic Modeling for Thermal and Chemical Non-Equilibrium

    NASA Technical Reports Server (NTRS)

    Liu, Yen; Panesi, Marco; Vinokur, Marcel; Clarke, Peter

    2013-01-01

    This paper deals with the accurate microscopic simulation and macroscopic modeling of extreme non-equilibrium phenomena, such as encountered during hypersonic entry into a planetary atmosphere. The state-to-state microscopic equations involving internal excitation, de-excitation, dissociation, and recombination of nitrogen molecules due to collisions with nitrogen atoms are solved time-accurately. Strategies to increase the numerical efficiency are discussed. The problem is then modeled using a few macroscopic variables. The model is based on reconstructions of the state distribution function using the maximum entropy principle. The internal energy space is subdivided into multiple groups in order to better describe the non-equilibrium gases. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients. The modeling is completely physics-based, and its accuracy depends only on the assumed expression of the state distribution function and the number of groups used. The model makes no assumption at the microscopic level, and all possible collisional and radiative processes are allowed. The model is applicable to both atoms and molecules and their ions. Several limiting cases are presented to show that the model recovers the classical twotemperature models if all states are in one group and the model reduces to the microscopic equations if each group contains only one state. Numerical examples and model validations are carried out for both the uniform and linear distributions. Results show that the original over nine thousand microscopic equations can be reduced to 2 macroscopic equations using 1 to 5 groups with excellent agreement. The computer time is decreased from 18 hours to less than 1 second.

  3. Collective molecular dissipation on Navier-Stokes macroscopic scales: Accretion disc viscous modeling in SPH

    NASA Astrophysics Data System (ADS)

    Lanzafame, Giuseppe

    2015-02-01

    In the nonlinear Navier-Stokes viscous flow dynamics, physical damping is mathematically accomplished by a braking term in the momentum equation, corresponding to a heating term in the energy equation, both responsible of the conversion of mechanical energy into heat. In such two terms, it is essential the role of the viscous stress tensor, relative to contiguous macroscopic moving flow components, depending on the macroscopic viscosity coefficient ν. A working formulation for ν can always be found analytically, tuning some arbitrary parameters in the current known formulations, according to the geometry, morphology and physics of the flow. Instead, in this paper, we write an alternative hybrid formulation for ν, where molecular parameters are also included. Our expression for ν has a more physical interpretation of the internal damping in dilute gases because the macroscopic viscosity is related to the small scale molecular dissipation, not strictly dependent on the flow morphology, as well as it is free of any arbitrary parameter. Results for some basic 2D tests are shown in the smoothed particle hydrodynamics (SPH) framework. An application to the 3D accretion disc modeling for low mass cataclysmic variables is also discussed. Consequences of the macroscopic viscosity coefficient reformulation in a more strictly physical terms on the thermal conductivity coefficient for dilute gases are also discussed.

  4. Determination of the low concentration correction in the macroscopic singlet oxygen model for PDT

    NASA Astrophysics Data System (ADS)

    Kim, Michele M.; Penjweini, Rozhin; Finlay, Jarod C.; Zhu, Timothy C.

    2016-03-01

    The macroscopic singlet oxygen model has been used for singlet oxygen explicit dosimetry in photodynamic therapy (PDT). The photophysical parameters for commonly used sensitizers, HPPH and BPD, have been investigated in pre-clinical studies using mouse models. So far, studies have involved optimizing fitting algorithms to obtain the some of the photophysical parameters (ξ, σ, g) and the threshold singlet oxygen dose ([1O2]rx,sh), while other parameters such as the low concentration correction, δ, has been kept as a constant. In this study, using photobleaching measurements of mice in vivo, the value of δ was also optimized and fit to better describe experimental data. Furthermore, the value of the specific photobleaching ratio (σ) was also fine-tuned using the photobleaching results. Based on literature values of δ, σ for photosensitizers can be uniquely determined using the additional photobleaching measurements. This routine will further improve the macroscopic model of singlet oxygen production for use in explicit dosimetry.

  5. Macroscopic two-pump two-vasculature cardiovascular model to support treatment of acute heart failure.

    PubMed

    Sugimachi, Masaru; Sunagawa, Kenji; Uemura, Kazunori; Kamiya, Atsunori; Shimizu, Shuji; Inagaki, Masashi; Shishido, Toshiaki

    2009-01-01

    Comprehensive understanding of hemodynamics remains a challenge even for expert cardiologists, partially due to a lack of an appropriate macroscopic model. We attempted to amend three major problems of Guyton's conceptual model (unknown left atrial pressure, unilateral heart damage, blood redistribution) and developed a comprehensive macroscopic model of hemodynamics that provides quantitative information. We incorporated a third axis of left atrial pressure, resulting in a 3D coordinate system. Pump functions of left and right heart are expressed by an integrated cardiac output curve, and the capacitive function of total vasculature by a venous return surface. The equations for both the cardiac output curve and venous return surface would facilitate precise diagnosis (especially evaluation of blood volume) and choice of appropriate treatments, including application to autopilot systems.

  6. Fission properties of Po isotopes in different macroscopic-microscopic models

    NASA Astrophysics Data System (ADS)

    Bartel, J.; Pomorski, K.; Nerlo-Pomorska, B.; Schmitt, Ch

    2015-11-01

    Fission-barrier heights of nuclei in the Po isotopic chain are investigated in several macroscopic-microscopic models. Using the Yukawa-folded single-particle potential, the Lublin-Strasbourg drop (LSD) model, the Strutinsky shell-correction method to yield the shell corrections and the BCS theory for the pairing contributions, fission-barrier heights are calculated and found in quite good agreement with the experimental data. This turns out, however, to be only the case when the underlying macroscopic, liquid-drop (LD) type, theory is well chosen. Together with the LSD approach, different LD parametrizations proposed by Moretto et al are tested. Four deformation parameters describing respectively elongation, neck-formation, reflectional-asymmetric, and non-axiality of the nuclear shape thus defining the so called modified Funny Hills shape parametrization are used in the calculation. The present study clearly demonstrates that nuclear fission-barrier heights constitute a challenging and selective tool to discern between such different macroscopic approaches.

  7. Multivariate crash modeling for motor vehicle and non-motorized modes at the macroscopic level.

    PubMed

    Lee, Jaeyoung; Abdel-Aty, Mohamed; Jiang, Ximiao

    2015-05-01

    Macroscopic traffic crash analyses have been conducted to incorporate traffic safety into long-term transportation planning. This study aims at developing a multivariate Poisson lognormal conditional autoregressive model at the macroscopic level for crashes by different transportation modes such as motor vehicle, bicycle, and pedestrian crashes. Many previous studies have shown the presence of common unobserved factors across different crash types. Thus, it was expected that adopting multivariate model structure would show a better modeling performance since it can capture shared unobserved features across various types. The multivariate model and univariate model were estimated based on traffic analysis zones (TAZs) and compared. It was found that the multivariate model significantly outperforms the univariate model. It is expected that the findings from this study can contribute to more reliable traffic crash modeling, especially when focusing on different modes. Also, variables that are found significant for each mode can be used to guide traffic safety policy decision makers to allocate resources more efficiently for the zones with higher risk of a particular transportation mode.

  8. Importance of Considering Hysteresis in Macroscopic Models of Two-phase Flow in Porous Media

    NASA Astrophysics Data System (ADS)

    Cihan, A.; Birkholzer, J. T.; Trevisan, L.; Gonzalez-Nicolas Alvarez, A.; Illangasekare, T. H.

    2016-12-01

    Considering hysteresis in the traditional Darcy equation-based models is necessary to accurately capture the two phase flow behavior when subsurface systems experience successive drainage and imbibition processes such as in the case of geological carbon storage (GCS). Numerical simulators solving two-phase flow equations must make reliable predictions of fluid distributions during injection and post-injection redistribution of CO2, which is essential for developing appropriate monitoring and assessment plans in order to minimize risks of leakage (e.g., through fractures and/or abandoned wells). Generally, existing numerical simulators of the two-phase flow either neglect the hysteresis or include hysteresis based on the empirical constitutive relationships, not suitably incorporating basic physics of capillary flow with entrapment. This study presents testing of new mathematical hysteretic capillary pressure - saturation - relative permeability models with the goal of more accurately predicting the post-injection distribution of the fluids. The developed macroscopic constitutive models are based on basic physics of two-phase capillary displacements at pore-scale and void volume fraction distribution and connectivity properties. To test the new models, a traditional two-phase flow model with the developed hysteretic functions as input is compared against some intermediate-scale flow cell experiments conducted under macroscopically homogeneous and heterogeneous conditions. The model testing results that will be presented demonstrate the importance of taking into account hysteresis in the constitutive models of the traditional two-phase flow models for more accurate prediction of post-injection plume distribution.

  9. Biochemical Mechanisms controlling Bioreactivity of Adrenal Chromaffin Cells

    DTIC Science & Technology

    1988-06-17

    conditioning in the laboratory rat . B. Examination of the morphological changes that accompany changes in bioreactivity of the rat adrenal medulla: When... Laboratory Rat . Proc. Western Pharmacol. Soc. 29: 315-318, 1986. Campbell, D. C., Hardie, D. G. and Vulliet, P. R. Identification of four Phosphorylation...Robert Lennox (New York, Plenum Press, 1987) pp 367-374. Vulliet, P. R., Loskutoff, N. and Kraemer, D. A Technique of Embryo Transfer in the

  10. Microscopic and macroscopic models for the onset and progression of Alzheimer's disease

    NASA Astrophysics Data System (ADS)

    Bertsch, Michiel; Franchi, Bruno; Carla Tesi, Maria; Tosin, Andrea

    2017-10-01

    In the first part of this paper we review a mathematical model for the onset and progression of Alzheimer’s disease (AD) that was developed in subsequent steps over several years. The model is meant to describe the evolution of AD in vivo. In Achdou et al (2013 J. Math. Biol. 67 1369–92) we treated the problem at a microscopic scale, where the typical length scale is a multiple of the size of the soma of a single neuron. Subsequently, in Bertsch et al (2017 Math. Med. Biol. 34 193–214) we concentrated on the macroscopic scale, where brain neurons are regarded as a continuous medium, structured by their degree of malfunctioning. In the second part of the paper we consider the relation between the microscopic and the macroscopic models. In particular we show under which assumptions the kinetic transport equation, which in the macroscopic model governs the evolution of the probability measure for the degree of malfunctioning of neurons, can be derived from a particle-based setting. The models are based on aggregation and diffusion equations for β-Amyloid (Aβ from now on), a protein fragment that healthy brains regularly produce and eliminate. In case of dementia Aβ monomers are no longer properly washed out and begin to coalesce forming eventually plaques. Two different mechanisms are assumed to be relevant for the temporal evolution of the disease: (i) diffusion and agglomeration of soluble polymers of amyloid, produced by damaged neurons; (ii) neuron-to-neuron prion-like transmission. In the microscopic model we consider mechanism (i), modelling it by a system of Smoluchowski equations for the amyloid concentration (describing the agglomeration phenomenon), with the addition of a diffusion term as well as of a source term on the neuronal membrane. At the macroscopic level instead we model processes (i) and (ii) by a system of Smoluchowski equations for the amyloid concentration, coupled to a kinetic-type transport equation for the distribution function of

  11. Bridging the Gap between Mesoscopic and Macroscopic Models: The Case of Multicellular Tumor Spheroids

    NASA Astrophysics Data System (ADS)

    Delsanto, P. P.; Griffa, M.; Condat, C. A.; Delsanto, S.; Morra, L.

    2005-04-01

    Multicellular tumor spheroids are valuable experimental tools in cancer research. By introducing an intermediate model, we have been able to successfully relate mesoscopic and macroscopic descriptions of spheroid growth. Since these descriptions stem from completely different roots (cell dynamics, and energy conservation and scaling arguments, respectively), their consistency validates both approaches and allows us to establish a direct correspondence between parameters characterizing processes occurring at different scales. Our approach may find applications as an example of bridging the gap between models at different scale levels in other contexts.

  12. Noninteractive macroscopic reliability model for ceramic matrix composites with orthotropic material symmetry

    NASA Technical Reports Server (NTRS)

    Duffy, Stephen F.; Manderscheid, Jane M.

    1989-01-01

    A macroscopic noninteractive reliability model for ceramic matrix composites is presented. The model is multiaxial and applicable to composites that can be characterized as orthotropic. Tensorial invariant theory is used to create an integrity basis with invariants that correspond to physical mechanisms related to fracture. This integrity basis is then used to construct a failure function per unit volume (or area) of material. It is assumed that the overall strength of the composite is governed by weakest link theory. This leads to a Weibull type model similar in nature to the principle of independent action (PIA) model for isotropic monolithic ceramics. An experimental program to obtain model parameters is briefly discussed. In addition, qualitative features of the model are illustrated by presenting reliability surfaces for various model parameters.

  13. Noninteractive macroscopic reliability model for ceramic matrix composites with orthotropic material symmetry

    NASA Technical Reports Server (NTRS)

    Duffy, Stephen F.; Manderscheid, Jane M.

    1989-01-01

    A macroscopic noninteractive reliability model for ceramic matrix composites is presented. The model is multiaxial and applicable to composites that can be characterized as orthotropic. Tensorial invariant theory is used to create an integrity basis with invariants that correspond to physical mechanisms related to fracture. This integrity basis is then used to construct a failure function per unit volume (or area) of material. It is assumed that the overall strength of the composite is governed by weakest link theory. This leads to a Weibull type model similar in nature to the principle of independent action (PIA) model for isotropic monolithic ceramics. An experimental program to obtain model parameters is briefly discussed. In addition, qualitative features of the model are illustrated by presenting reliability surfaces for various model parameters.

  14. An extended bioreaction database that significantly improves reconstruction and analysis of genome-scale metabolic networks.

    PubMed

    Stelzer, Michael; Sun, Jibin; Kamphans, Tom; Fekete, Sándor P; Zeng, An-Ping

    2011-11-01

    The bioreaction database established by Ma and Zeng (Bioinformatics, 2003, 19, 270-277) for in silico reconstruction of genome-scale metabolic networks has been widely used. Based on more recent information in the reference databases KEGG LIGAND and Brenda, we upgrade the bioreaction database in this work by almost doubling the number of reactions from 3565 to 6851. Over 70% of the reactions have been manually updated/revised in terms of reversibility, reactant pairs, currency metabolites and error correction. For the first time, 41 spontaneous sugar mutarotation reactions are introduced into the biochemical database. The upgrade significantly improves the reconstruction of genome scale metabolic networks. Many gaps or missing biochemical links can be recovered, as exemplified with three model organisms Homo sapiens, Aspergillus niger, and Escherichia coli. The topological parameters of the constructed networks were also largely affected, however, the overall network structure remains scale-free. Furthermore, we consider the problem of computing biologically feasible shortest paths in reconstructed metabolic networks. We show that these paths are hard to compute and present solutions to find such paths in networks of small and medium size.

  15. Macroscopic thermoplastic model applied to the high pressure torsion of metallic glasses

    SciTech Connect

    Hobor, Sandor; Revesz, Adam; Kovacs, Zsolt

    2009-07-15

    Shear deformation generated temperature rise in metallic glasses is estimated in a macroscopic three-dimensional axial symmetric thermoplastic model. Numerical solution of heat-conduction equation provides the time evolution and spatial distribution of temperature for high pressure torsion in the present paper. We have shown that small sample thickness and/or high deformation rate enables the temperature to exceed the glass transition in the entire sample, yielding a transition of the deformation mode from inhomogeneous to homogeneous viscous flow. However, in other cases only a small temperature increase is predicted in line with literature data.

  16. Modeling of Macroscopic/Microscopic Transport and Growth Phenomena in Zeolite Crystal Solutions Under Microgravity Conditions

    NASA Technical Reports Server (NTRS)

    Gatsonis, Nikos A.; Alexandrou, Andreas; Shi, Hui; Ongewe, Bernard; Sacco, Albert, Jr.

    1999-01-01

    . At the same time, however, there is increased urgency to develop such an understanding in order to more accurately quantify the process. In order to better understand the results obtained from our prior space experiments, and design future experiments, a detailed fluid dynamic model simulating the crystal growth mechanism is required. This will not only add to the fundamental knowledge on the crystallization of zeolites, but also be useful in predicting the limits of size and growth of these important industrial materials. Our objective is to develop macro/microscopic theoretical and computational models to study the effect of transport phenomena in the growth of crystals grown in solutions. Our effort has concentrated so far in the development of separate macroscopic and microscopic models. The major highlights of our accomplishments are described.

  17. Numerical study of a macroscopic finite pulse model of the diffusion MRI signal.

    PubMed

    Li, Jing-Rebecca; Nguyen, Hang Tuan; Nguyen, Dang Van; Haddar, Houssem; Coatléven, Julien; Le Bihan, Denis

    2014-11-01

    Diffusion magnetic resonance imaging (dMRI) is an imaging modality that probes the diffusion characteristics of a sample via the application of magnetic field gradient pulses. The dMRI signal from a heterogeneous sample includes the contribution of the water proton magnetization from all spatial positions in a voxel. If the voxel can be spatially divided into different Gaussian diffusion compartments with inter-compartment exchange governed by linear kinetics, then the dMRI signal can be approximated using the macroscopic Karger model, which is a system of coupled ordinary differential equations (ODEs), under the assumption that the duration of the diffusion-encoding gradient pulses is short compared to the diffusion time (the narrow pulse assumption). Recently, a new macroscopic model of the dMRI signal, without the narrow pulse restriction, was derived from the Bloch-Torrey partial differential equation (PDE) using periodic homogenization techniques. When restricted to narrow pulses, this new homogenized model has the same form as the Karger model. We conduct a numerical study of the new homogenized model for voxels that are made up of periodic copies of a representative volume that contains spherical and cylindrical cells of various sizes and orientations and show that the signal predicted by the new model approaches the reference signal obtained by solving the full Bloch-Torrey PDE in O(ε(2)), where ε is the ratio between the size of the representative volume and a measure of the diffusion length. When the narrow gradient pulse assumption is not satisfied, the new homogenized model offers a much better approximation of the full PDE signal than the Karger model. Finally, preliminary results of applying the new model to a voxel that is not made up of periodic copies of a representative volume are shown and discussed.

  18. Comparison of macroscopic models of excitation and force propagation in the heart.

    PubMed

    Sachse, F B; Blümcke, L G; Mohr, M; Glänzel, K; Häfner, J; Riedel, C; Seemann, G; Skipa, O; Werner, C D; Dössel, O

    2002-01-01

    Computer aided simulations of the heart provide knowledge of phenomena, which are commonly neither visible nor measurable with current techniques. This knowledge can be applied e.g. in cardiologic diagnosis and therapy. A variety of models was created to reconstruct cardiac processes, e.g. electrical propagation and force development. In this work different macroscopic models were compared, i.e. models based on excitation-diffusion equations and cellular automata. The comparison was carried out concerning reconstruct-ability of cardiac phenomena, mathematical and biophysical foundation as well as computational expense. Particularly, the reconstruct-ability of electromechanic feedback mechanisms was examined. Perspectives for further developments and improvements of models were given.

  19. Macroscopic Phase-Field Model of Partial Wetting: Bubbles in a Capillary Tube

    NASA Astrophysics Data System (ADS)

    Cueto-Felgueroso, Luis; Juanes, Ruben

    2012-04-01

    Drops and bubbles are nonspreading, local, compactly supported features. They are also equilibrium configurations in partial wetting phenomena. Yet, current macroscopic theories of capillary-dominated flow are unable to describe these systems. We propose a framework to model multiphase flow in porous media with nonspreading equilibrium configurations. We illustrate our approach with a one-dimensional model of two-phase flow in a capillary tube. Our model allows for the presence of compactons: nonspreading steady-state solutions in the absence of external forces. We show that local rate dependency is not needed to explain globally rate-dependent displacement patterns, and we interpret dynamic wetting transitions as the route from equilibrium, capillary-dominated configurations, towards viscous-dominated flow. Mathematically, these transitions are possible due to nonclassical shock solutions and the role of bistability and higher-order terms in our model.

  20. Macroscopic and histologic evaluation of a rat model of chronic rotator cuff tear.

    PubMed

    Hashimoto, Eiko; Ochiai, Nobuyasu; Kenmoku, Tomonori; Sasaki, Yu; Yamaguchi, Takeshi; Kijima, Takehiro; Sasaki, Yasuhito; Ohtori, Seiji; Takahashi, Kazuhisa

    2016-12-01

    The major cause of rotator cuff tears in humans is thought to be tendon degeneration. Although some studies have reported chronic rotator cuff tear models in animals, few studies of chronic rat models have demonstrated persistent defects for a relatively long time. The purpose of this study was to establish a chronic rotator cuff tear model in the rat and to evaluate the model macroscopically and histologically. Sixty Sprague Dawley rats were divided into 2 groups: tendon detachment only (tear group) and tendon detachment plus figure resin (chronic group). The contralateral shoulder served as a sham-operated control (sham group). In the tear group, the supraspinatus and infraspinatus tendons were completely detached. In addition to cuff detachment, figure resin was placed on the greater tuberosity to prevent cuff reattachment and scar formation in the chronic group. Macroscopic and histologic changes were assessed at 4 and 12 weeks after surgery. A full-thickness cuff defect was observed in all chronic-group rats at both 4 and 12 weeks after surgery, and it could be repaired secondarily by traction in lower tension. However, no cuff defects were observed in the tear group because of obvious scar tissue formation. On histologic evaluation, progressive tendon degeneration, muscle atrophy, and fatty infiltration were observed in the chronic model at 12 weeks after surgery. We established a rat model of chronic rotator cuff tears using figure resin. This chronic rotator cuff tear model might be useful for further clinical investigations of rotator cuff repair. Copyright © 2016 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Elsevier Inc. All rights reserved.

  1. Macroscopic modelling of bioethanol production from potato peel wastes in batch cultures supplemented with inorganic nitrogen.

    PubMed

    Richelle, A; Ben Tahar, I; Hassouna, M; Bogaerts, Ph

    2015-09-01

    Inorganic nitrogen supplementation is commonly used to boost fermentation metabolism in yeast cultures. However, an excessive addition can induce an opposite effect. Hence, it is important to ensure that the ammonia supplemented to the culture leads to an improvement of the ethanol production while avoiding undesirable inhibition effects. To this end, a macroscopic model describing the influence of ammonia addition on Saccharomyces cerevisiae metabolism during bioethanol production from potato peel wastes has been developed. The model parameters are obtained by a simplified identification methodology in five steps. It is validated with experimental data and successfully predicts the dynamics of growth, substrate consumption (ammonia and fermentable sugar sources) and bioethanol production, even in cross validation. The model is used to determine the optimal quantity of supplemented ammonia required for maximizing bioethanol production from potato peel wastes in batch cultures.

  2. Macroscopic cloud properties in the WRF NWP model: An assessment using sky camera and ceilometer data

    NASA Astrophysics Data System (ADS)

    Arbizu-Barrena, Clara; Pozo-Vázquez, David; Ruiz-Arias, José A.; Tovar-Pescador, Joaquín.

    2015-10-01

    The ability of six microphysical parameterizations included in the Weather Research and Forecasting (WRF) numerical weather prediction (NWP) model to represent various macroscopic cloud characteristics at multiple spatial and temporal resolutions is investigated. In particular, the model prediction skills of cloud occurrence, cloud base height, and cloud cover are assessed. When it is possible, the results are provided separately for low-, middle-, and high-level clouds. The microphysical parameterizations assessed are WRF single-moment six-class, Thompson, Milbrandt-Yau, Morrison, Stony Brook University, and National Severe Storms Laboratory double moment. The evaluated macroscopic cloud properties are determined based on the model cloud fractions. Two cloud fraction approaches, namely, a binary cloud fraction and a continuous cloud fraction, are investigated. Model cloud cover is determined by overlapping the vertically distributed cloud fractions following three different strategies. The evaluation is conducted based on observations gathered with a ceilometer and a sky camera located in Jaén (southern Spain). The results prove that the reliability of the WRF model mostly depends on the considered cloud parameter, cloud level, and spatiotemporal resolution. In our test bed, it is found that WRF model tends to (i) overpredict the occurrence of high-level clouds irrespectively of the spatial resolution, (ii) underestimate the cloud base height, and (iii) overestimate the cloud cover. Overall, the best cloud estimates are found for finer spatial resolutions (1.3 and 4 km with slight differences between them) and coarser temporal resolutions. The roles of the parameterization choice of the microphysics scheme and the cloud overlapping strategy are, in general, less relevant.

  3. Global properties of even-even superheavy nuclei in macroscopic-microscopic models

    SciTech Connect

    Baran, Andrzej; Lojewski, Zdzislaw; Sieja, Kamila; Kowal, Michal

    2005-10-01

    A systematic study of global properties of superheavy nuclei in the framework of macroscopic-microscopic method is performed. Equilibrium deformations, masses, quadrupole moments, radii, shell energies, fission barriers and half-lives are calculated using the following macroscopic models: Myers-Swiatecki liquid drop, droplet, Yukawa-plus-exponential, and Lublin-Strasbourg drop. Shell and pairing energies are calculated in Woods-Saxon potential with a universal set of parameters. The analysis covers a wide range of even-even superheavy nuclei from Z=100 to 122. Magic and semimagic numbers occurring in this region are indicated and their influence on the observables is discussed. The strongest shell effects appear at proton number Z=114 and at neutron number N=184. Deformed shell closures are found at N=152 and 162. Spontaneous fission half-lives are calculated in a dynamical approach where the full minimization of the action integral in a three-dimensional deformation space of {beta} deformations is performed. The fission half-lives obtained this way are two orders of magnitude smaller than the ones resulting from static calculations. The agreement of theoretical results and experimental data is satisfying.

  4. Macroscopic surface tension in a lattice Bhatnagar-Gross-Krook model of two immiscible fluids

    NASA Astrophysics Data System (ADS)

    Halliday, I.; Thompson, S. P.; Care, C. M.

    1998-01-01

    We present a method by which an interface generating algorithm, similar to that of earlier lattice Boltzmann models of immiscible fluids, may be extended to a two component, two-speed two-dimensional (D2), nine-link (Q9) lattice Bhatnagar-Gross-Krook fluid. For two-dimensional, microcurrent-free planar interfaces between the two immiscible fluids we derive expressions for static interfacial tensions and interfacial distributions of the two fluids. Extending our analysis to curved interfaces, we propose a scheme for incorporating the influence of interfacial microcurrents that is based upon general symmetry arguments and is correct to second order in lattice velocity. The analysis demonstrates that the interfacial microcurrents have only second-order influence upon the macroscopic behavior of the model. We find good agreement between our calculations and simulation results based on the microcurrent stream function and surface tension results from the pressure tensor or Laplace law.

  5. Macroscopic Surface Tension in a Lattice Boltzmann BGK Model of Two Immiscible Fluids.

    NASA Astrophysics Data System (ADS)

    Thompson, S. P.; Halliday, I.; Care, C. M.

    1997-08-01

    We present a method by which an interface generating algorithm, similar to that of earlier lattice Boltzmann models of immisible fluids, may be extended to a two component, two-speed D2Q9 lattice Bhatnagar Gross Krook fluid. For two-dimensional, microcurrent-free planar interfaces between the two immiscible fluids we derive expressions for static interfacial tensions and interfacial distributions of the two fluids. Extending our analysis to curved interfaces we propose a scheme for incorporating the influence of interfacial microcurrents which is based upon general symmetry arguments and is correct to second order in lattice velocity. The analysis demonstrates that the interfacial microcurrents have only second order influence upon the macroscopic behaviour of the model. We find good agreement between our calculations and simulation results based on the microcurrent stream function and surface tension results from the pressure tensor or Laplace law.

  6. Shock structure and temperature overshoot in macroscopic multi-temperature model of mixtures

    SciTech Connect

    Madjarević, Damir Simić, Srboljub; Ruggeri, Tommaso

    2014-10-15

    The paper discusses the shock structure in macroscopic multi-temperature model of gaseous mixtures, recently established within the framework of extended thermodynamics. The study is restricted to weak and moderate shocks in a binary mixture of ideal gases with negligible viscosity and heat conductivity. The model predicts the existence of temperature overshoot of heavier constituent, like more sophisticated approaches, but also puts in evidence its non-monotonic behavior not documented in other studies. This phenomenon is explained as a consequence of weak energy exchange between the constituents, either due to large mass difference, or large rarefaction of the mixture. In the range of small Mach number it is also shown that shock thickness (or equivalently, the inverse of Knudsen number) decreases with the increase of Mach number, as well as when the mixture tends to behave like a single-component gas (small mass difference and/or presence of one constituent in traces)

  7. Macroscopic modelling of semisolid deformation for considering segregation bands induced by shear deformation

    NASA Astrophysics Data System (ADS)

    Morita, S.; Yasuda, H.; Nagira, T.; Gourlay, C. M.; Yoshiya, M.; Sugiyama, A.

    2012-07-01

    In-situ observation was carried out to observe deformation of semi-solid Fe-2mass%C steel with 65% solid and globular morphology by X-ray radiography. Deformation was predominantly controlled by the rearrangement of globules. The solid particles were pushed into each other and rearrangement caused lower solid fraction regions to form. On the basis of the observation, a macroscopic model that introduces a normal stress acting on the solid due to collisions and rearrangement is proposed. The solid particles are treated as a non-Newtonian fluid. The stiffness parameters, which characterize the flow of the solid, are introduced. Stability of semisolid to fluctuations in solid fraction during simple shear was analysed. Shear deformation can be stably localized in the semisolid with a certain solid fraction range. The model essentially reproduces band segregation formation.

  8. Ab Initio Modeling Of Friction Reducing Agents Shows Quantum Mechanical Interactions Can Have Macroscopic Manifestation.

    PubMed

    Hernández Velázquez, J D; Barroso-Flores, J; Gama Goicochea, A

    2016-11-23

    Two of the most commonly encountered friction-reducing agents used in plastic sheet production are the amides known as erucamide and behenamide, which despite being almost identical chemically, lead to markedly different values of the friction coefficient. To understand the origin of this contrasting behavior, in this work we model brushes made of these two types of linear-chain molecules using quantum mechanical numerical simulations under the density functional theory at the B97D/6-31G(d,p) level of theory. Four chains of erucamide and behenamide were linked to a 2 × 10 zigzag graphene sheet and optimized both in vacuum and in continuous solvent using the SMD implicit solvation model. We find that erucamide chains tend to remain closer together through π-π stacking interactions arising from the double bonds located at C13-C14, a feature behenamide lacks, and thus a more spread configuration is obtained with the latter. It is argued that this arrangement of the erucamide chains is responsible for the lower friction coefficient of erucamide brushes, compared with behenamide brushes, which is a macroscopic consequence of cooperative quantum mechanical interactions. While only quantum level interactions are modeled here, we show that behenamide chains are more spread out in the brush than erucamide chains as a consequence of those interactions. The spread-out configuration allows more solvent particles to penetrate the brush, leading in turn to more friction, in agreement with macroscopic measurements and mesoscale simulations of the friction coefficient reported in the literature.

  9. The macroscopic behavior of cumulus ensembles simulated by a cumulus ensemble model

    SciTech Connect

    Kuan-Man Xu; Akio Arakawa; Krueger, S.K. )

    1992-12-15

    The two-dimensional UCLA cumulus ensemble model (CEM), which covers a large horizontal area with a sufficiently small horizontal grid size, is used in this study. A number of simulation experiments are performed with the CEM to study the macroscopic behavior of cumulus convection under a variety of different large-scale and underlying surface conditions. Specifically, the modulation of cumulus activity by the imposed large-scale processes and the eddy kinetic energy (EKE) budget are investigated in detail. In all simulations, cumulus convection is rather strongly modulated by large-scale advective processes in spite of the existence of some nonmodulated high-frequency fluctuations. The modulation exhibits some phase delays, however, when the basic wind shear is strong. This is presumably associated with the existence of mesoscale convective organization. The EKE budget analysis shows that the net eddy buoyancy generation rate is nearly zero for a wide range of cumulus ensembles. 34 refs., 17 figs., 2 tabs.

  10. Micromechanical and macroscopic models of ductile fracture in particle reinforced metallic materials

    NASA Astrophysics Data System (ADS)

    Hu, Chao; Bai, Jie; Ghosh, Somnath

    2007-06-01

    This paper is aimed at developing two modules contributing to the overall framework of multi-scale modelling of ductile fracture of particle reinforced metallic materials. The first module is for detailed micromechanical analysis of particle fragmentation and matrix cracking of heterogeneous microstructures. The Voronoi cell FEM for particle fragmentation is extended in this paper to incorporate ductile failure through matrix cracking in the form of void growth and coalescence using a non-local Gurson-Tvergaard-Needleman (GTN) model. In the resulting enriched Voronoi cell finite element model (VCFEM) or E-VCFEM, the assumed stress-based hybrid VCFEM formulation is overlaid with narrow bands of displacement based elements to accommodate strain softening in the constitutive behaviour. The second module develops an anisotropic plasticity-damage model in the form of the GTN model for macroscopic analysis in the multi-scale material model. Parameters in this model are calibrated from results of homogenization of microstructural variables obtained by E-VCFEM analysis of microstructural representative volume element. Numerical examples conducted yield satisfactory results.

  11. Application of a macroscopic model to predict the band segregation induced by shear deformation of semisolid

    NASA Astrophysics Data System (ADS)

    Morita, S.; Yasuda, H.; Nagira, T.; Gourlay, C. M.; Morishita, K.; Yoshiya, M.; Sugiyama, A.

    2015-06-01

    Semisolid deformation during solicitation can cause some casting defects such as the band segregation. Since the defect formation originates in nature of semisolid, it is of interest to build a model including the nature and to predict the defect formation. In-situ and time- resolve X-ray imaging has proved that rearrangement of solid grains in semisolid dominantly controls deformation and localization of shear strain leads to the band segregation. On the basis of the observations, a macroscopic model, which explicitly includes the rearrangement, is proposed. The model uses two-phase flow model and introduces hydrostatic stresses to express the rearrangement. The model was applied to simple shear of semisolid to confirm instability against shear. Fluctuation of solid fraction gradually increased and consequently shear deformation was localized. The model is also applied to pseudo 2D deformation in a shear cell, of which dimension was the same as that used in the X-ray imaging. The calculation result qualitatively agreed with the experimental results. It was concluded that the model has a potential to simulate the localization of shear and the band segregation. For further improvement, to measure some physical properties, which are closely related to the rearrangement, is required.

  12. Numerical model for macroscopic quantum superpositions based on phase-covariant quantum cloning

    NASA Astrophysics Data System (ADS)

    Buraczewski, A.; Stobińska, M.

    2012-10-01

    Macroscopically populated quantum superpositions pose a question to what extent the macroscopic world obeys quantum mechanical laws. Recently, such superpositions for light, generated by an optimal quantum cloner, have been demonstrated. They are of fundamental and technological interest. We present numerical methods useful for modeling of these states. Their properties are governed by a Gaussian hypergeometric function, which cannot be reduced to either elementary or easily tractable functions. We discuss the method of efficient computation of this function for half-integer parameters and a moderate value of its argument. We show how to dynamically estimate a cutoff for infinite sums involving this function performed over its parameters. Our algorithm exceeds double precision and is parallelizable. Depending on the experimental parameters it chooses one of the several ways of summation to achieve the best efficiency. The methods presented here can be adjusted for analysis of similar experimental schemes. Program summary Program title: MQSVIS Catalogue identifier: AEMR_ v1_ 0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEMR_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 1643 No. of bytes in distributed program, including test data, etc.: 13212 Distribution format: tar.gz Programming language: C with OpenMP extensions (main numerical program), Python (helper scripts). Computer: Modern PC (tested on AMD and Intel processors), HP BL2x220. Operating system: Unix/Linux. Has the code been vectorized or parallelized?: Yes (OpenMP). RAM: 200 MB for single run for 1000×1000 tile Classification: 4.15, 18. External routines: OpenMP Nature of problem: Recently, macroscopically populated quantum superpositions for light, generated by an optimal quantum cloner, have

  13. Application of a single root-scale model to improve macroscopic modeling of root water uptake: focus on osmotic stress

    NASA Astrophysics Data System (ADS)

    Jorda, Helena; Perelman, Adi; Lazarovitch, Naftali; Vanderborght, Jan

    2017-04-01

    Root water uptake is a fundamental process in the hydrological cycle and it largely regulates the water balance in the soil vadose zone. Macroscopic stress functions are currently used to estimate the effect of salinity on root water uptake. These functions commonly assume stress to be a function of bulk salinity and of the plant sensitivity to osmotic stress expressed as the salinity at which transpiration is reduced by half or so called tolerance value. However, they fail to integrate additional relevant factors such as atmospheric conditions or root architectural traits. We conducted a comprehensive simulation study on a single root using a 3-D physically-based model that resolves flow and transport to individual root segments and that couples flow in the soil and root system. The effect of salt concentrations on root water uptake was accounted for by including osmotic water potential gradients between the solution at the soil root interface and the root xylem sap in the hydraulic gradient between the soil and root. A large set of factors were studied, namely, potential transpiration rate and dynamics, root length density (RLD), irrigation water quality and irrigation frequency, and leaching fraction. Results were fitted to the macroscopic function developed by van Genuchten and Hoffman (1984) and the dependency of osmotic stress and the fitted macroscopic parameters on the studied factors was evaluated. Osmotic stress was found to be highly dependent on RLD. Low RLDs result in a larger stress to the plant due to high evaporative demand per root length unit. In addition, osmotic stress was positively correlated to potential transpiration rate, and sinusoidal potential transpiration lead to larger stress than when imposed as a constant boundary condition. Macroscopic parameters are usually computed as single values for each crop and used for the entire growing season. However, our study shows that both tolerance value and shape parameter p from the van Genuchten

  14. Improving macroscopic modeling of the effect of water and osmotic stresses on root water uptake.

    NASA Astrophysics Data System (ADS)

    Jorda Guerra, Helena; Vanderborght, Jan

    2015-04-01

    Accurate modeling of water and salt stresses on root water uptake is critical for predicting impacts of global change and climate variability on crop production and soil water balances. Soil-hydrological models use reduction functions to represent the effect of osmotic stress in transpiration. However, these functions, which were developed empirically, present limitations in relation to the time and spatial scale at which they need to be used, fail to include compensation processes and do not agree on how water and salt stresses interact. This research intends to develop a macroscopic reduction function for water and osmotic stresses based on biophysical knowledge. Simulation experiments are conducted for a range of atmospheric conditions, soil and plant properties, irrigation water quality and scheduling using a 3-D physically-based model that resolves flow and transport to individual root segments and that couples flow in the soil and root system (Schröder et al., 2013). The effect of salt concentrations on water flow in the soil-root system is accounted for by including osmotic water potential gradients between the solution at the soil root interface and the root xylem sap in the hydraulic gradient between the soil and root. In a first step, simulation experiments are carried out in a soil volume around a single root segment. We discuss how the simulation setup can be defined so as to represent: (i) certain characteristics of the root system such as rooting depth and root length density, (ii) plant transpiration rate, (iii) leaching fraction of the irrigation, and (iii) salinity of the irrigation water. The output of these simulation experiments gives a first insight in the effect of salinity on transpiration and on the relation between the bulk salinity in the soil voxel, which is used in macroscopic salt stress functions of models that do not resolve processes at the root segment scale, and the salinity at the soil-root interface, which determines the actual

  15. Simulation of weld solidification microstructure and its coupling to the macroscopic heat and fluid flow modelling

    NASA Astrophysics Data System (ADS)

    Pavlyk, Vitaliy; Dilthey, Ulrich

    2004-01-01

    The microstructure exerts a strong influence on the mechanical properties and on the integrity of welded joints. Prediction of the formation of the microstructure during welding and of other solidification processes may be an important and supporting factor for technology optimization. Nowadays, increasing computing power allows direct simulations of the dendritic and cell morphology of columnar grains in the molten zone for specific temperature conditions. Modelling is carried out, on the one hand, with the finite difference—cellular automata and, on the other hand, with the phase field method. Determination of the solidification conditions during fusion welding (temperature gradient, local solidification rate, weld pool shape) is carried out with a numerical macroscopic finite element modelling calculation of the weld pool fluid flow and of the temperature distribution, as presented in this paper. As with the use of accurate physical models, the simulations are carried out with a spatial resolution of the microstructure, and many assumptions and restrictions from traditional, analytical or phenomenological models may be eliminated. The possibilities of using numerical algorithms for generation and visualization of microstructure formation during solidification are demonstrated. The spectrum of applications extends from welding and casting to processes with rapid solidification. In particular, computer simulations of the solidification conditions and the formation of a dendritic morphology during the directional solidification in gas-tungsten-arc welding are described. Moreover, the simulation results are compared with the experimental findings.

  16. Modeling diffusion-governed solidification of ternary alloys - Part 2: Macroscopic transport phenomena and macrosegregation.

    PubMed

    Wu, M; Li, J; Ludwig, A; Kharicha, A

    2014-09-01

    Part 1 of this two-part investigation presented a multiphase solidification model incorporating the finite diffusion kinetics and ternary phase diagram with the macroscopic transport phenomena (Wu et al., 2013). In Part 2, the importance of proper treatment of the finite diffusion kinetics in the calculation of macrosegregation is addressed. Calculations for a two-dimensional (2D) square casting (50 × 50 mm(2)) of Fe-0.45 wt.%C-1.06 wt.%Mn considering thermo-solutal convection and crystal sedimentation are performed. The modeling result indicates that the infinite liquid mixing kinetics as assumed by classical models (e.g., the Gulliver-Scheil or lever rule), which cannot properly consider the solute enrichment of the interdendritic or inter-granular melt at the early stage of solidification, might lead to an erroneous estimation of the macrosegregation. To confirm this statement, further theoretical and experimental evaluations are desired. The pattern and intensity of the flow and crystal sedimentation are dependent on the crystal morphologies (columnar or equiaxed); hence, the potential error of the calculated macrosegregation caused by the assumed growth kinetics depends on the crystal morphology. Finally, an illustrative simulation of an engineering 2.45-ton steel ingot is performed, and the results are compared with experimental results. This example demonstrates the model applicability for engineering castings regarding both the calculation efficiency and functionality.

  17. A master equation formalism for macroscopic modeling of asynchronous irregular activity states.

    PubMed

    El Boustani, Sami; Destexhe, Alain

    2009-01-01

    Many efforts have been devoted to modeling asynchronous irregular (AI) activity states, which resemble the complex activity states seen in the cerebral cortex of awake animals. Most of models have considered balanced networks of excitatory and inhibitory spiking neurons in which AI states are sustained through recurrent sparse connectivity, with or without external input. In this letter we propose a mesoscopic description of such AI states. Using master equation formalism, we derive a second-order mean-field set of ordinary differential equations describing the temporal evolution of randomly connected balanced networks. This formalism takes into account finite size effects and is applicable to any neuron model as long as its transfer function can be characterized. We compare the predictions of this approach with numerical simulations for different network configurations and parameter spaces. Considering the randomly connected network as a unit, this approach could be used to build large-scale networks of such connected units, with an aim to model activity states constrained by macroscopic measurements, such as voltage-sensitive dye imaging.

  18. Macroscopic Model for Head-On Binary Droplet Collisions in a Gaseous Medium

    NASA Astrophysics Data System (ADS)

    Li, Jie

    2016-11-01

    In this Letter, coalescence-bouncing transitions of head-on binary droplet collisions are predicted by a novel macroscopic model based entirely on fundamental laws of physics. By making use of the lubrication theory of Zhang and Law [Phys. Fluids 23, 042102 (2011)], we have modified the Navier-Stokes equations to accurately account for the rarefied nature of the interdroplet gas film. Through the disjoint pressure model, we have incorporated the intermolecular van der Waals forces. Our model does not use any adjustable (empirical) parameters. It therefore encompasses an extreme range of length scales (more than 5 orders of magnitude): from those of the external flow in excess of the droplet size (a few hundred μ m ) to the effective range of the van der Waals force around 10 nm. A state of the art moving adaptive mesh method, capable of resolving all the relevant length scales, has been employed. Our numerical simulations are able to capture the coalescence-bouncing and bouncing-coalescence transitions that are observed as the collision intensity increases. The predicted transition Weber numbers for tetradecane and water droplet collisions at different pressures show good agreement with published experimental values. Our study also sheds new light on the roles of gas density, droplet size, and mean free path in the rupture of the gas film.

  19. A Macroscopic Mathematical Model for Cell Migration Assays Using a Real-Time Cell Analysis

    PubMed Central

    Angelini, Claudia; Carfora, Maria Francesca; Carriero, Maria Vincenza; Natalini, Roberto

    2016-01-01

    Experiments of cell migration and chemotaxis assays have been classically performed in the so-called Boyden Chambers. A recent technology, xCELLigence Real Time Cell Analysis, is now allowing to monitor the cell migration in real time. This technology measures impedance changes caused by the gradual increase of electrode surface occupation by cells during the course of time and provide a Cell Index which is proportional to cellular morphology, spreading, ruffling and adhesion quality as well as cell number. In this paper we propose a macroscopic mathematical model, based on advection-reaction-diffusion partial differential equations, describing the cell migration assay using the real-time technology. We carried out numerical simulations to compare simulated model dynamics with data of observed biological experiments on three different cell lines and in two experimental settings: absence of chemotactic signals (basal migration) and presence of a chemoattractant. Overall we conclude that our minimal mathematical model is able to describe the phenomenon in the real time scale and numerical results show a good agreement with the experimental evidences. PMID:27680883

  20. A Macroscopic Mathematical Model for Cell Migration Assays Using a Real-Time Cell Analysis.

    PubMed

    Di Costanzo, Ezio; Ingangi, Vincenzo; Angelini, Claudia; Carfora, Maria Francesca; Carriero, Maria Vincenza; Natalini, Roberto

    Experiments of cell migration and chemotaxis assays have been classically performed in the so-called Boyden Chambers. A recent technology, xCELLigence Real Time Cell Analysis, is now allowing to monitor the cell migration in real time. This technology measures impedance changes caused by the gradual increase of electrode surface occupation by cells during the course of time and provide a Cell Index which is proportional to cellular morphology, spreading, ruffling and adhesion quality as well as cell number. In this paper we propose a macroscopic mathematical model, based on advection-reaction-diffusion partial differential equations, describing the cell migration assay using the real-time technology. We carried out numerical simulations to compare simulated model dynamics with data of observed biological experiments on three different cell lines and in two experimental settings: absence of chemotactic signals (basal migration) and presence of a chemoattractant. Overall we conclude that our minimal mathematical model is able to describe the phenomenon in the real time scale and numerical results show a good agreement with the experimental evidences.

  1. A theoretical comparison of macroscopic and microscopic modeling of singlet oxygen during Photofrin and HPPH mediated-PDT

    PubMed Central

    Liu, Baochang; Kim, Michele M.; Zhu, Timothy C.

    2015-01-01

    Mathematic models were developed to simulate the complex dynamic process of photodynamic therapy (PDT). Macroscopic or microscopic modeling of singlet oxygen (1O2) is particularly of interest because it is the major cytotoxic agent causing biological effects during PDT. Our previously introduced macroscopic PDT model incorporates the diffusion equation for the light propagation in tissue and the macroscopic kinetic equations for the production of the 1O2. The distance-dependent distribution of 3O2 and reacted 1O2 can be numerically calculated using finite-element method (FEM). We recently improved the model to include microscopic kinetic equations of oxygen diffusion from uniformly distributed blood vessels and within tissue. In the model, the cylindrical blood capillary has radius in the range of 2–5 μm and a mean length of 300 μm, and supplies oxygen into tissue. The blood vessel network is assumed to form a 2-D square grid perpendicular to a linear light source. The spacing of the grid is 60 μm. Oxygen can also diffuse along the radius and the longitudinal axial of the cylinder within tissue. The oxygen depletion during Photofrin-PDT can be simulated using both macroscopic and microscopic approaches. The comparison of the simulation results have reasonable agreements when velocity of blood flow is reduced during PDT. PMID:25999642

  2. A theoretical comparison of macroscopic and microscopic modeling of singlet oxygen during Photofrin and HPPH mediated-PDT

    NASA Astrophysics Data System (ADS)

    Liu, Baochang; Kim, Michele M.; Zhu, Timothy C.

    2013-03-01

    Mathematic models were developed to simulate the complex dynamic process of photodynamic therapy (PDT). Macroscopic or microscopic modeling of singlet oxygen (1O2) is particularly of interest because it is the major cytotoxic agent causing biological effects during PDT. Our previously introduced macroscopic PDT model incorporates the diffusion equation for the light propagation in tissue and the macroscopic kinetic equations for the production of the 1O2. The distance-dependent distribution of 3O2 and reacted 1O2 can be numerically calculated using finite-element method (FEM). We recently improved the model to include microscopic kinetic equations of oxygen diffusion from uniformly distributed blood vessels and within tissue. In the model, the cylindrical blood capillary has radius in the range of 2-5 μm and a mean length of 300 μm, and supplies oxygen into tissue. The blood vessel network is assumed to form a 2-D square grid perpendicular to a linear light source. The spacing of the grid is 60 μm. Oxygen can also diffuse along the radius and the longitudinal axial of the cylinder within tissue. The oxygen depletion during Photofrin-PDT PDT can be simulated using both macroscopic and microscopic approaches. The comparison of the simulation results have reasonable agreements when velocity of blood flow is reduced during PDT.

  3. In vivo outcome study of BPD-mediated PDT using a macroscopic singlet oxygen model

    NASA Astrophysics Data System (ADS)

    Kim, Michele M.; Penjweini, Rozhin; Zhu, Timothy C.

    2015-03-01

    Macroscopic modeling of the apparent reacted singlet oxygen concentration ([1O2]rx) for use with photodynamic therapy (PDT) has been developed and studied for benzoporphryin derivative monoacid ring A (BPD), a common photosensitizer. The four photophysical parameters (ξ, σ, β, δ) and threshold singlet oxygen dose ([1O2]rx, sh) have been investigated and determined using the RIF model of murine fibrosarcomas and interstitial treatment delivery. These parameters are examined and verified further by monitoring tumor growth post-PDT. BPD was administered at 1 mg/kg, and mice were treated 3 hours later with fluence rates ranging between 75 - 150 mW/cm2 and total fluences of 100 - 350 J/cm2. Treatment was delivered superficially using a collimated beam. Changes in tumor volume were tracked following treatment. The tumor growth rate was fitted for each treatment condition group and compared using dose metrics including total light dose, PDT dose, and reacted singlet oxygen. Initial data showing the correlation between outcomes and various dose metrics indicate that reacted singlet oxygen serves as a good dosimetric quantity for predicting PDT outcome.

  4. In vivo outcome study of BPD-mediated PDT using a macroscopic singlet oxygen model.

    PubMed

    Kim, Michele M; Penjweini, Rozhin; Zhu, Timothy C

    2015-03-02

    Macroscopic modeling of the apparent reacted singlet oxygen concentration ([(1)O2]rx) for use with photodynamic therapy (PDT) has been developed and studied for benzoporphryin derivative monoacid ring A (BPD), a common photosensitizer. The four photophysical parameters (ξ, σ, β, δ) and threshold singlet oxygen dose ([(1)O2]rx,sh) have been investigated and determined using the RIF model of murine fibrosarcomas and interstitial treatment delivery. These parameters are examined and verified further by monitoring tumor growth post-PDT. BPD was administered at 1 mg/kg, and mice were treated 3 hours later with fluence rates ranging between 75 - 150 mW/cm(2) and total fluences of 100 - 350 J/cm(2). Treatment was delivered superficially using a collimated beam. Changes in tumor volume were tracked following treatment. The tumor growth rate was fitted for each treatment condition group and compared using dose metrics including total light dose, PDT dose, and reacted singlet oxygen. Initial data showing the correlation between outcomes and various dose metrics indicate that reacted singlet oxygen serves as a good dosimetric quantity for predicting PDT outcome.

  5. A macroscopic model for slightly compressible gas slip-flow in homogeneous porous media

    NASA Astrophysics Data System (ADS)

    Lasseux, D.; Parada, F. J. Valdes; Tapia, J. A. Ochoa; Goyeau, B.

    2014-05-01

    The study of gas slip-flow in porous media is relevant in many applications ranging from nanotechnology to enhanced oil recovery and in any situation involving low-pressure gas-transport through structures having sufficiently small pores. In this paper, we use the method of volume averaging for deriving effective-medium equations in the framework of a slightly compressible gas flow. The result of the upscaling process is an effective-medium model subjected to time- and length-scale constraints, which are clearly identified in our derivation. At the first order in the Knudsen number, the macroscopic momentum transport equation corresponds to a Darcy-like model involving the classical intrinsic permeability tensor and a slip-flow correction tensor that is also intrinsic. It generalizes the Darcy-Klinkenberg equation for ideal gas flow, and exhibits a more complex form for dense gas. The component values of the two intrinsic tensors were computed by solving the associated closure problems on two- and three-dimensional periodic unit cells. Furthermore, the dependence of the slip-flow correction with the porosity was also verified to agree with approximate analytical results. Our predictions show a power-law relationship between the permeability and the slip-flow correction that is consistent with other works. Nevertheless, the generalization of such a relationship to any configuration requires more analysis.

  6. A robust macroscopic model for normal-shear coupling, asymmetric and anisotropic behaviors of polycrystalline SMAs

    NASA Astrophysics Data System (ADS)

    Bodaghi, M.; Damanpack, A. R.; Liao, W. H.

    2016-07-01

    The aim of this article is to develop a robust macroscopic bi-axial model to capture self-accommodation, martensitic transformation/orientation/reorientation, normal-shear deformation coupling and asymmetric/anisotropic strain generation in polycrystalline shape memory alloys. By considering the volume fraction of martensite and its preferred direction as scalar and directional internal variables, constitutive relations are derived to describe basic mechanisms of accommodation, transformation and orientation/reorientation of martensite variants. A new definition is introduced for maximum recoverable strain, which allows the model to capture the effects of tension-compression asymmetry and transformation anisotropy. Furthermore, the coupling effects between normal and shear deformation modes are considered by merging inelastic strain components together. By introducing a calibration approach, material and kinetic parameters of the model are recast in terms of common quantities that characterize a uniaxial phase kinetic diagram. The solution algorithm of the model is presented based on an elastic-predictor inelastic-corrector return mapping process. In order to explore and demonstrate capabilities of the proposed model, theoretical predictions are first compared with existing experimental results on uniaxial tension, compression, torsion and combined tension-torsion tests. Afterwards, experimental results of uniaxial tension, compression, pure bending and buckling tests on {{NiTi}} rods and tubes are replicated by implementing a finite element method along with the Newton-Raphson and Riks techniques to trace non-linear equilibrium path. A good qualitative and quantitative correlation is observed between numerical and experimental results, which verifies the accuracy of the model and the solution procedure.

  7. Explicit macroscopic singlet oxygen modeling for benzoporphyrin derivative monoacid ring A (BPD)-mediated photodynamic therapy.

    PubMed

    Kim, Michele M; Penjweini, Rozhin; Liang, Xing; Zhu, Timothy C

    2016-11-01

    Photodynamic therapy (PDT) is an effective non-ionizing treatment modality that is currently being used for various malignant and non-malignant diseases. In type II PDT with photosensitizers such as benzoporphyrin monoacid ring A (BPD), cell death is based on the creation of singlet oxygen ((1)O2). With a previously proposed empirical five-parameter macroscopic model, the threshold dose of singlet oxygen ([(1)O2]rx,sh]) to cause tissue necrosis in tumors treated with PDT was determined along with a range of the magnitude of the relevant photochemical parameters: the photochemical oxygen consumption rate per light fluence rate and photosensitizer concentration (ξ), the probability ratio of (1)O2 to react with ground state photosensitizer compared to a cellular target (σ), the ratio of the monomolecular decay rate of the triplet state photosensitizer (β), the low photosensitizer concentration correction factor (δ), and the macroscopic maximum oxygen supply rate (g). Mice bearing radiation-induced fibrosarcoma (RIF) tumors were treated interstitially with a linear light source at 690nm with total energy released per unit length of 22.5-135J/cm and source power per unit length of 12-150mW/cm to induce different radii of necrosis. A fitting algorithm was developed to determine the photochemical parameters by minimizing the error function involving the range between the calculated reacted singlet oxygen ([(1)O2]rx) at necrosis radius and the [(1)O2]rx,sh. [(1)O2]rx was calculated based on explicit dosimetry of the light fluence distribution, the tissue optical properties, and the BPD concentration. The initial ground state oxygen concentration ([(3)O2]0) was set to be 40μM in this study. The photochemical parameters were found to be ξ=(55±40)×10(-3)cm(2)mW(-1)s(-1), σ=(1.8±3)×10(-5)μM(-1), and g=1.7±0.7μMs(-1). We have taken the literature values for δ=33μM, and β=11.9μM. [(1)O2]rx has shown promise to be a more effective dosimetry quantity for

  8. Final Report: Model interacting particle systems for simulation and macroscopic description of particulate suspensions

    SciTech Connect

    Peter J. Mucha

    2007-08-30

    Suspensions of solid particles in liquids appear in numerous applications, from environmental settings like river silt, to industrial systems of solids transport and water treatment, and biological flows such as blood flow. Despite their importance, much remains unexplained about these complicated systems. Mucha's research aims to improve understanding of basic properties of suspensions through a program of simulating model interacting particle systems with critical evaluation of proposed continuum equations, in close collaboration with experimentalists. Natural to this approach, the original proposal centered around collaboration with studies already conducted in various experimental groups. However, as was detailed in the 2004 progress report, following the first year of this award, a number of the questions from the original proposal were necessarily redirected towards other specific goals because of changes in the research programs of the proposed experimental collaborators. Nevertheless, the modified project goals and the results that followed from those goals maintain close alignment with the main themes of the original proposal, improving efficient simulation and macroscopic modeling of sedimenting and colloidal suspensions. In particular, the main investigations covered under this award have included: (1) Sedimentation instabilities, including the sedimentation analogue of the Rayleigh-Taylor instability (for heavy, particle-laden fluid over lighter, clear fluid). (2) Ageing dynamics of colloidal suspensions at concentrations above the glass transition, using simplified interactions. (3) Stochastic reconstruction of velocity-field dependence for particle image velocimetry (PIV). (4) Stochastic modeling of the near-wall bias in 'nano-PIV'. (5) Distributed Lagrange multiplier simulation of the 'internal splash' of a particle falling through a stable stratified interface. (6) Fundamental study of velocity fluctuations in sedimentation. (7) Parallelization of

  9. Two approaches for numerical modelling of waves generated by landslides : macroscopic and grain scales.

    NASA Astrophysics Data System (ADS)

    Clous, Lucie; Abadie, Stéphane

    2017-04-01

    The present works aims to show two approaches for the numerical modelling of waves generated by landslides. The first approach is based on a macroscopic view of the landslide. Two cases are introduced : the pyroclastic flow and the generation by a granular flow. Regarding the pyroclastic flow, if we consider that the high interstitial pressure persists during the propagation as showed in some experiments (Roche et al.), the slide has a fluid-like behaviour and therefore can be modelled as a Newtonian fluid. Some experiments are in process to assess this hypothesis. In the case of granular flow, we deal with the experiment of glass beads falling on a slope into water (Viroulet) for two diameters of beads. First, the landslide is modelled as a Newtonian fluid. The aim is to determine the viscosity value for each case and be able to reproduce the first wave. To be closer to the granular media, the mu(I)-rheology is also introduced (GDR MiDi). This rheology has been proposed to model dense granular flow and parameters are defined by the media. The second approach is to model the grain itself in the granular media. It can be done by coupling a DEM code with a Navier-Stokes code for example (Shan and Zhao). However, here, the idea is to compute the slide and the fluids with only a Navier-Stokes (NS) code. To realise that, the solid are modelled using penalised fluid (Ducassou et al.). Yet, the interactions between solid have to be manage by an additional routine in the NS code. A first model has been developed for interaction between discs. Experimental results are expected for the validation of this routine like the fall of several cylinders on a slope into water. References : O. Roche, S. Montserrat, Y. Niño, and A. Tamburrino. Pore fluid pressure and internal kinematics of gravitational laboratory air-particle flows: Insights into the emplacement dynamics of pyroclastic flows. Journal of Geophysical Research, 115(B9), September 2010. Sylvain Viroulet. Simulations de

  10. A connectivity-based modeling approach for representing hysteresis in macroscopic two-phase flow properties

    SciTech Connect

    Cihan, Abdullah; Birkholzer, Jens; Trevisan, Luca; Bianchi, Marco; Zhou, Quanlin; Illangasekare, Tissa

    2014-12-31

    During CO2 injection and storage in deep reservoirs, the injected CO2 enters into an initially brine saturated porous medium, and after the injection stops, natural groundwater flow eventually displaces the injected mobile-phase CO2, leaving behind residual non-wetting fluid. Accurate modeling of two-phase flow processes are needed for predicting fate and transport of injected CO2, evaluating environmental risks and designing more effective storage schemes. The entrapped non-wetting fluid saturation is typically a function of the spatially varying maximum saturation at the end of injection. At the pore-scale, distribution of void sizes and connectivity of void space play a major role for the macroscopic hysteresis behavior and capillary entrapment of wetting and non-wetting fluids. This paper presents development of an approach based on the connectivity of void space for modeling hysteretic capillary pressure-saturation-relative permeability relationships. The new approach uses void-size distribution and a measure of void space connectivity to compute the hysteretic constitutive functions and to predict entrapped fluid phase saturations. Two functions, the drainage connectivity function and the wetting connectivity function, are introduced to characterize connectivity of fluids in void space during drainage and wetting processes. These functions can be estimated through pore-scale simulations in computer-generated porous media or from traditional experimental measurements of primary drainage and main wetting curves. The hysteresis model for saturation-capillary pressure is tested successfully by comparing the model-predicted residual saturation and scanning curves with actual data sets obtained from column experiments found in the literature. A numerical two-phase model simulator with the new hysteresis functions is tested against laboratory experiments conducted in a quasi-two-dimensional flow cell (91.4cm×5.6cm×61cm

  11. A connectivity-based modeling approach for representing hysteresis in macroscopic two-phase flow properties

    DOE PAGES

    Cihan, Abdullah; Birkholzer, Jens; Trevisan, Luca; ...

    2014-12-31

    During CO2 injection and storage in deep reservoirs, the injected CO2 enters into an initially brine saturated porous medium, and after the injection stops, natural groundwater flow eventually displaces the injected mobile-phase CO2, leaving behind residual non-wetting fluid. Accurate modeling of two-phase flow processes are needed for predicting fate and transport of injected CO2, evaluating environmental risks and designing more effective storage schemes. The entrapped non-wetting fluid saturation is typically a function of the spatially varying maximum saturation at the end of injection. At the pore-scale, distribution of void sizes and connectivity of void space play a major role formore » the macroscopic hysteresis behavior and capillary entrapment of wetting and non-wetting fluids. This paper presents development of an approach based on the connectivity of void space for modeling hysteretic capillary pressure-saturation-relative permeability relationships. The new approach uses void-size distribution and a measure of void space connectivity to compute the hysteretic constitutive functions and to predict entrapped fluid phase saturations. Two functions, the drainage connectivity function and the wetting connectivity function, are introduced to characterize connectivity of fluids in void space during drainage and wetting processes. These functions can be estimated through pore-scale simulations in computer-generated porous media or from traditional experimental measurements of primary drainage and main wetting curves. The hysteresis model for saturation-capillary pressure is tested successfully by comparing the model-predicted residual saturation and scanning curves with actual data sets obtained from column experiments found in the literature. A numerical two-phase model simulator with the new hysteresis functions is tested against laboratory experiments conducted in a quasi-two-dimensional flow cell (91.4cm×5.6cm×61cm), packed with homogeneous and

  12. Simulating Air-Entrapment in Low Permeability Mudrocks using a Macroscopic Invasion Percolation Model

    NASA Astrophysics Data System (ADS)

    Singh, A.; Holt, R. M.; Ramarao, B.; Clemo, T.

    2011-12-01

    Three radioactive waste disposal landfills at the Waste Control Specialists (WCS) facility in Andrews County, Texas are constructed below grade, within the low-permeability Dockum Group mudrocks (Cooper Canyon Formation) of Triassic age. Recent site investigations at the WCS disposal facilities indicate the presence of a trapped and compressed gas phase in the mudrocks. The Dockum is a low-permeability medium with vertical and horizontal effective hydraulic conductivities of 1.2E-9 cm/s and 2.9E-7 cm/s. The upper 300+ feet of the Dockum is in the unsaturated zone, with an average saturation of 0.87 and average capillary pressure of 2.8 MPa determined from core samples. Air entry pressures on core samples range from from 0.016 to 9.8 MPa, with a mean of 1.0 MPa. Heat dissipation sensors, thermocouple psychrometers, and advanced tensiometers installed in Dockum borehole arrays generally show capillary pressures one order of magnitude less than those measured on core samples. These differences with core data are attributed to the presence of a trapped and compressed gas phase within Dockum materials. In the vicinity of an instrumented borehole, the gas phase pressure equilibrates with atmospheric pressure, lowering the capillary pressure. We have developed a new macroscopic invasion percolation (MIP) model to illustrate the origin of the trapped gas phase in the Dockum rocks. An MIP model differs from invasion percolation (IP) through the definition of macro-scale capillarity. Individual pore throats and necks are not considered. Instead, a near pore-scale block is defined and characterized by a local threshold spanning pressure (a local block-scale breakthrough pressure) that represents the behavior of the subscale network. The model domain is discretized into an array of grid blocks with assigned spanning pressures. An invasion pressure for each block is then determined by the sum of spanning pressure, buoyance forces, and viscous forces. An IP algorithm sorts the

  13. Comparison of cardiac output determined by bioimpedance and bioreactance methods at rest and during exercise.

    PubMed

    Jakovljevic, Djordje G; Moore, Sarah; Hallsworth, Kate; Fattakhova, Gulnar; Thoma, Christian; Trenell, Michael I

    2012-04-01

    Bioreactance is a novel non-invasive method for cardiac output measurement that involves the analysis of blood flow-dependent changes in the phase shifts of electrical currents applied across the chest. The present study (1) compared resting and exercise cardiac outputs determined by bioreactance and bioimpedance methods and those estimated from measured oxygen consumption, (2) determined the relationship between cardiac output and oxygen consumption, and (3) assessed the agreement between the bioreactance and bioimpedance methods. Twelve healthy subjects (aged 30 ± 4 years) performed graded cardiopulmonary exercise test on a recumbent cycle ergometer on two occasions, 1 week apart. Cardiac output was monitored at rest, at 30, 50, 70, 90, 150 W and at peak exercise intensity by bioreactance and bioimpedance and expired gases collected. Resting cardiac output was not significantly different between the bioreactance and bioimpedance methods (6.2 ± 1.4 vs. 6.5 ± 1.4 l min(-1), P = 0.42). During exercise cardiac outputs were correlated with oxygen uptake for both bioreactance (r = 0.84, P < 0.01) and bioimpedance techniques (r = 0.82, P < 0.01). At peak exercise bioimpedance estimated significantly lower cardiac outputs than both bioreactance and theoretically calculated cardiac output (14.3 ± 2.6 vs. 17.5 ± 5.2 vs. 16.9 ± 4.9 l min(-1), P < 0.05). Bland-Altman analyses including data from rest and exercise demonstrated that the bioimpedance method reported ~1.5 l min(-1) lower cardiac output than bioreactance with lower and upper limits of agreement of -2.98 to 5.98 l min(-1). Bioimpedance and bioreactance methods provide different cardiac output estimates, particularly at high exercise intensity, and therefore the two methods cannot be used interchangeably. In contrast with bioimpedance, bioreactance cardiac outputs are similar to those estimated from measured oxygen consumption.

  14. Dispersive Mixing? Mass Transfer? Microbial Dynamics? Potential Controls of Bioreactive Transport

    NASA Astrophysics Data System (ADS)

    Cirpka, O. A.; Loschko, M.; Eckert, D.; Mellage, A.

    2016-12-01

    Mixing-controlled reactive transport, in which compounds A and B must come together to react, has gained significant attention in the past years. The goal is to formulate upscaled, effective equations of reactive transport in physically and chemically heterogeneous media without fully resolving the heterogeneity. Towards this end, it is important to analyze which processes control the overall reactive behavior. The presentation classifies potential controls of (bio)reactive transport into several categories, for which different effective transport equations may be derived. The replacement scenario (solution of B replaces the solution of A) has become a popular target to study fundamental aspects of dispersive mixing. In most cases, it s assumed that neither A nor B sorb. Under such conditions, the reaction is controlled by macroscopic longitudinal dispersive mixing, which is controlled by variability of velocity and micro-scale transverse mixing. However, in most practical applications, at least one of the two compounds sorbs. If A sorbs more strongly than B, chromatographic mixing will always dominate over dispersive mixing at late times. A second popular scenario is a continuously released plume of A, reacting with B provided by ambient flow. This system is controlled by macroscopic transverse dispersion, which increases much less than longitudinal mixing in heterogeneous domains. Transient flow leads to some additional enhancement, but not very much. If the compounds sorb differently, transient flow causes alternating chromatographic mixing and separation. Many contaminants react with the aquifer matrix. In these cases, dispersive mixing is merely a nuisance, and the controling factor is the release of the reaction partner from the matrix. Here, travel-time based approaches work if chemical heterogeneity can be excluded. To account for the latter, one can integrate the time of exposure to reactive materials, eventually scaled by the intensity of the reaction, to

  15. Droplet-based microsystem for multi-step bioreactions.

    PubMed

    Wang, Fang; Burns, Mark A

    2010-06-01

    A droplet-based microfluidic platform was used to perform on-chip droplet generation, merging and mixing for applications in multi-step reactions and assays. Submicroliter-sized droplets can be produced separately from three identical droplet-generation channels and merged together in a single chamber. Three different mixing strategies were used for mixing the merged droplet. For pure diffusion, the reagents were mixed in approximately 10 min. Using flow around the stationary droplet to induce circulatory flow within the droplet, the mixing time was decreased to approximately one minute. The shortest mixing time (10 s) was obtained with bidirectional droplet motion between the chamber and channel, and optimization could result in a total time of less than 1 s. We also tested this on-chip droplet generation and manipulation platform using a two-step thermal cycled bioreaction: nested TaqMan PCR. With the same concentration of template DNA, the two-step reaction in a well-mixed merged droplet shows a cycle threshold of approximately 6 cycles earlier than that in the diffusively mixed droplet, and approximately 40 cycles earlier than the droplet-based regular (single-step) TaqMan PCR.

  16. An Entropic Gradient Structure for Lindblad Equations and Couplings of Quantum Systems to Macroscopic Models

    NASA Astrophysics Data System (ADS)

    Mittnenzweig, Markus; Mielke, Alexander

    2017-04-01

    We show that all Lindblad operators (i.e., generators of quantum Markov semigroups) on a finite-dimensional Hilbert space satisfying the detailed balance condition with respect to the thermal equilibrium state can be written as a gradient system with respect to the relative entropy. We discuss also thermodynamically consistent couplings to macroscopic systems, either as damped Hamiltonian systems with constant temperature or as GENERIC systems.

  17. An Entropic Gradient Structure for Lindblad Equations and Couplings of Quantum Systems to Macroscopic Models

    NASA Astrophysics Data System (ADS)

    Mittnenzweig, Markus; Mielke, Alexander

    2017-03-01

    We show that all Lindblad operators (i.e., generators of quantum Markov semigroups) on a finite-dimensional Hilbert space satisfying the detailed balance condition with respect to the thermal equilibrium state can be written as a gradient system with respect to the relative entropy. We discuss also thermodynamically consistent couplings to macroscopic systems, either as damped Hamiltonian systems with constant temperature or as GENERIC systems.

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

    NASA Astrophysics Data System (ADS)

    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.

  19. Analytical model for random dopant fluctuation in double-gate MOSFET in the subthreshold region using macroscopic modeling method

    NASA Astrophysics Data System (ADS)

    Shin, Yong Hyeon; Yun, Ilgu

    2016-12-01

    An analytical model is proposed for the random dopant fluctuation (RDF) in a symmetric double-gate metal-oxidesemiconductor field-effect-transistor (DG MOSFET) in the subthreshold region. Unintended impurity dopants cannot be absolutely prevented during the device fabrication; hence, it is important to analytically model the fluctuations in the electrical characteristics caused by these impurity dopants. Therefore, a macroscopic modeling method is applied to represent the impurity dopants in DG MOSFETs. With this method, the two-dimensional (2D) Poisson equation is separated into a basic analytical DG MOSFET model with channel doping concentration NA and an impurity-dopant-related term with local doping concentration NRD confined in a specific rectangular area. To solve the second term, the manually solvable 2D Green's function for DG MOSFETs is used. Through calculation of the channel potential (ϕ(x, y)), the variations in the drive current (IDS) and threshold voltage (Vth) are extracted from the analytical model. All results from the analytical model for an impurity dopant in a DG MOSFET are examined by comparisons with the commercially available 2D numerical simulation results, with respect to various oxide thicknesses (tox), channel lengths (L), and location of impurity dopants.

  20. Capturing microscopic features of bone remodeling into a macroscopic model based on biological rationales of bone adaptation.

    PubMed

    Kim, Young Kwan; Kameo, Yoshitaka; Tanaka, Sakae; Adachi, Taiji

    2017-05-18

    To understand Wolff's law, bone adaptation by remodeling at the cellular and tissue levels has been discussed extensively through experimental and simulation studies. For the clinical application of a bone remodeling simulation, it is significant to establish a macroscopic model that incorporates clarified microscopic mechanisms. In this study, we proposed novel macroscopic models based on the microscopic mechanism of osteocytic mechanosensing, in which the flow of fluid in the lacuno-canalicular porosity generated by fluid pressure gradients plays an important role, and theoretically evaluated the proposed models, taking biological rationales of bone adaptation into account. The proposed models were categorized into two groups according to whether the remodeling equilibrium state was defined globally or locally, i.e., the global or local uniformity models. Each remodeling stimulus in the proposed models was quantitatively evaluated through image-based finite element analyses of a swine cancellous bone, according to two introduced criteria associated with the trabecular volume and orientation at remodeling equilibrium based on biological rationales. The evaluation suggested that nonuniformity of the mean stress gradient in the local uniformity model, one of the proposed stimuli, has high validity. Furthermore, the adaptive potential of each stimulus was discussed based on spatial distribution of a remodeling stimulus on the trabecular surface. The theoretical consideration of a remodeling stimulus based on biological rationales of bone adaptation would contribute to the establishment of a clinically applicable and reliable simulation model of bone remodeling.

  1. Interaction of nanoparticles with proteins: relation to bio-reactivity of the nanoparticle.

    PubMed

    Saptarshi, Shruti R; Duschl, Albert; Lopata, Andreas L

    2013-07-19

    Interaction of nanoparticles with proteins is the basis of nanoparticle bio-reactivity. This interaction gives rise to the formation of a dynamic nanoparticle-protein corona. The protein corona may influence cellular uptake, inflammation, accumulation, degradation and clearance of the nanoparticles. Furthermore, the nanoparticle surface can induce conformational changes in adsorbed protein molecules which may affect the overall bio-reactivity of the nanoparticle. In depth understanding of such interactions can be directed towards generating bio-compatible nanomaterials with controlled surface characteristics in a biological environment. The main aim of this review is to summarise current knowledge on factors that influence nanoparticle-protein interactions and their implications on cellular uptake.

  2. Estimation of Enthalpy of Formation of Liquid Transition Metal Alloys: A Modified Prescription Based on Macroscopic Atom Model of Cohesion

    NASA Astrophysics Data System (ADS)

    Raju, Subramanian; Saibaba, Saroja

    2016-09-01

    The enthalpy of formation Δo H f is an important thermodynamic quantity, which sheds significant light on fundamental cohesive and structural characteristics of an alloy. However, being a difficult one to determine accurately through experiments, simple estimation procedures are often desirable. In the present study, a modified prescription for estimating Δo H f L of liquid transition metal alloys is outlined, based on the Macroscopic Atom Model of cohesion. This prescription relies on self-consistent estimation of liquid-specific model parameters, namely electronegativity ( ϕ L) and bonding electron density ( n b L ). Such unique identification is made through the use of well-established relationships connecting surface tension, compressibility, and molar volume of a metallic liquid with bonding charge density. The electronegativity is obtained through a consistent linear scaling procedure. The preliminary set of values for ϕ L and n b L , together with other auxiliary model parameters, is subsequently optimized to obtain a good numerical agreement between calculated and experimental values of Δo H f L for sixty liquid transition metal alloys. It is found that, with few exceptions, the use of liquid-specific model parameters in Macroscopic Atom Model yields a physically consistent methodology for reliable estimation of mixing enthalpies of liquid alloys.

  3. Macroscopic Models of Radiative Transfer as Applied to Computation of the Radiation Field in the Solar Atmosphere

    NASA Technical Reports Server (NTRS)

    Ripoll, J.-F.; Wray, A. A.

    2003-01-01

    In this paper a new three dimensional half-moment model for radiative transfer is presented for a gray medium. It describes the evolution of the zeroth and first directional half moments of the radiative intensity. The closure is provided, similarly to Dubroca and Klar, by the maximum entropy concept. This work generalizes that model to three dimensions. The model presented here (the derivation being done in Ripoll and Wray, called the M(sup 1/2)(sub 1) model, is a hyperbolic system consisting of a total of eight equations in three dimensions, four equations for each direction. Each half model has the classical form of a macroscopic moment model in which the pressure tensor is constructed from the well-known Eddington tensor with a particular Eddington factor. Moreover, different source and border terms occur. The latter introduce couplings between the macroscopic and microscopic quantities and between the + and - streams, through the intensity in the plane perpendicular to the flux. The main theoretical application of the half moment model, treated in this paper, is its reduction to a full moment model, called M(sup +)(sub 1), for the particular but important case of a hot, opaque source radiating in a cold transparent (or semi-transparent) medium for very specific applications, such as stellar interiors or atmospheres, or combustion problems. The structure of the paper is as follows. In section 2, the model M(sup 1/2)(sub 1) is presented. In section 3, for the particular case of a hot, opaque source radiating into a cold medium, the half moment model is reduced to the M(sup +)(sub 1) model. In section 4, we first solve a simple and academic problem to validate the models, followed by a simplified solar atmosphere.

  4. Connecting Pore Scale Dynamics to Macroscopic Models for Two-Fluid Phase Flow

    NASA Astrophysics Data System (ADS)

    McClure, J. E.; Dye, A. L.; Miller, C. T.; Gray, W. G.

    2015-12-01

    Imaging technologies such as computed micro-tomography (CMT) provide high resolution three-dimensional images of real porous medium systems that reveal the true geometric structure of fluid and solid phases. Simulation and analysis tools are essential to extract knowledge from this raw data, and can be applied in tandem to provide information that is otherwise inaccessible. Guidance from multi-scale averaging theory is used to develop a multi-scale analysis framework to determine phase connectivity and extract interfacial areas, curvatures, common line length, contact angle and the velocities of the interface and common curve. The approach is applied to analyze pore-scale dynamics based on a multiphase lattice Boltzmann method. Dense sets of simulations are performed to evaluate the equilibrium relationship between capillary pressure, saturation and interfacial area for several experimentally imaged porous media. The approach is also used study the evolution of macroscopic quantities under dynamic conditions, which is compared to the equilibrium data.

  5. Macroscopic rates, microscopic observations, and molecular models of the dissolution of carbonate phases.

    SciTech Connect

    Duckworth, Owen W.; Cygan, Randall Timothy; Martin, Scot T.

    2004-05-01

    Bulk and surface energies are calculated for endmembers of the isostructural rhombohedral carbonate mineral family, including Ca, Cd, Co, Fe, Mg, Mn, Ni, and Zn compositions. The calculations for the bulk agree with the densities, bond distances, bond angles, and lattice enthalpies reported in the literature. The calculated energies also correlate with measured dissolution rates: the lattice energies show a log-linear relationship to the macroscopic dissolution rates at circumneutral pH. Moreover, the energies of ion pairs translated along surface steps are calculated and found to predict experimentally observed microscopic step retreat velocities. Finally, pit formation excess energies decrease with increasing pit size, which is consistent with the nonlinear dissolution kinetics hypothesized for the initial stages of pit formation.

  6. Explicit dosimetry for 2-(1-hexyloxyethyl)-2-devinyl pyropheophorbide-a-mediated photodynamic therapy: macroscopic singlet oxygen modeling

    NASA Astrophysics Data System (ADS)

    Penjweini, Rozhin; Liu, Baochang; Kim, Michele M.; Zhu, Timothy C.

    2015-12-01

    Type II photodynamic therapy (PDT) is based on the photochemical reactions mediated through an interaction between a photosensitizer, ground-state oxygen ([O]), and light excitation at an appropriate wavelength, which results in production of reactive singlet oxygen ([]rx). We use an empirical macroscopic model based on four photochemical parameters for the calculation of []rx threshold concentration ([]rx,sh) causing tissue necrosis in tumors after PDT. For this reason, 2-(1-hexyloxyethyl)-2-devinyl pyropheophorbide-a (HPPH)-mediated PDT was performed interstitially on mice with radiation-induced fibrosarcoma (RIF) tumors. A linear light source at 665 nm with total energy released per unit length of 12 to 100 J/cm and source power per unit length (LS) of 12 to 150 mW/cm was used to induce different radii of necrosis. Then the amount of []rx calculated by the macroscopic model incorporating explicit PDT dosimetry of light fluence distribution, tissue optical properties, and HPPH concentration was correlated to the necrotic radius to obtain the model parameters and []rx,sh. We provide evidence that []rx is a better dosimetric quantity for predicting the treatment outcome than PDT dose, which is proportional to the time integral of the products of the photosensitizer concentration and light fluence rate.

  7. Explicit dosimetry for 2-(1-hexyloxyethyl)-2-devinyl pyropheophorbide-a-mediated photodynamic therapy: macroscopic singlet oxygen modeling

    PubMed Central

    Penjweini, Rozhin; Liu, Baochang; Kim, Michele M.; Zhu, Timothy C.

    2015-01-01

    Abstract. Type II photodynamic therapy (PDT) is based on the photochemical reactions mediated through an interaction between a photosensitizer, ground-state oxygen ([O32]), and light excitation at an appropriate wavelength, which results in production of reactive singlet oxygen ([O12]rx). We use an empirical macroscopic model based on four photochemical parameters for the calculation of [O12]rx threshold concentration ([O12]rx,sh) causing tissue necrosis in tumors after PDT. For this reason, 2-(1-hexyloxyethyl)-2-devinyl pyropheophorbide-a (HPPH)-mediated PDT was performed interstitially on mice with radiation-induced fibrosarcoma (RIF) tumors. A linear light source at 665 nm with total energy released per unit length of 12 to 100  J/cm and source power per unit length (LS) of 12 to 150  mW/cm was used to induce different radii of necrosis. Then the amount of [O12]rx calculated by the macroscopic model incorporating explicit PDT dosimetry of light fluence distribution, tissue optical properties, and HPPH concentration was correlated to the necrotic radius to obtain the model parameters and [O12]rx,sh. We provide evidence that [O12]rx is a better dosimetric quantity for predicting the treatment outcome than PDT dose, which is proportional to the time integral of the products of the photosensitizer concentration and light fluence rate. PMID:26720883

  8. Increasing Model Complexity: Unit Testing and Validation of a Coupled Electrical Resistive Heating and Macroscopic Invasion Percolation Model

    NASA Astrophysics Data System (ADS)

    Molnar, I. L.; Krol, M.; Mumford, K. G.

    2016-12-01

    Geoenvironmental models are becoming increasingly sophisticated as they incorporate rising numbers of mechanisms and process couplings to describe environmental scenarios. When combined with advances in computing and numerical techniques, these already complicated models are experiencing large increases in code complexity and simulation time. Although, this complexity has enabled breakthroughs in the ability to describe environmental problems, it is difficult to ensure that complex models are sufficiently robust and behave as intended. Many development tools used for testing software robustness have not seen widespread use in geoenvironmental sciences despite an increasing reliance on complex numerical models, leaving many models at risk of undiscovered errors and potentially improper validations. This study explores the use of unit testing, which independently examines small code elements to ensure each unit is working as intended as well as their integrated behaviour, to test the functionality and robustness of a coupled Electrical Resistive Heating (ERH) - Macroscopic Invasion Percolation (MIP) model. ERH is a thermal remediation technique where the soil is heated until boiling and volatile contaminants are stripped from the soil. There is significant interest in improving the efficiency of ERH, including taking advantage of low-temperature co-boiling behaviour which may reduce energy consumption. However, at lower co-boiling temperatures gas bubbles can form, mobilize and collapse in cooler areas, potentially contaminating previously clean zones. The ERH-MIP model was created to simulate the behaviour of gas bubbles in the subsurface and to evaluate ERH during co-boiling1. This study demonstrates how unit testing ensures that the model behaves in an expected manner and examines the robustness of every component within the ERH-MIP model. Once unit testing is established, the MIP module (a discrete gas transport algorithm for gas expansion, mobilization and

  9. Using Denatured Egg White as a Macroscopic Model for Teaching Protein Structure and Introducing Protein Synthesis for High School Students

    NASA Astrophysics Data System (ADS)

    Correia, Paulo R. M.; Torres, Bayardo B.

    2007-12-01

    The success of teaching molecular and atomic phenomena depends on the didactical strategy and the media selection adopted, in consideration of the level of abstraction of the subject to be taught and the students' capability to deal with abstract operations. Dale's cone of experience was employed to plan three 50-minute classes to discuss protein denaturation from a chemical point of view. Only low abstraction level activities were selected: (i) two demonstrations showing the denaturation of albumin by heating and by changing the solvent, (ii) the assembly of a macroscopic model representing the protein molecule, and (iii) a role-play for simulating glucagon synthesis. A student-centered approach and collaborative learning were used throughout the classes. The use of macroscopic models is a powerful didactical strategy to represent molecular and atomic events. They can convert microscopic entities into touchable objects, reducing the abstraction level required to discuss chemistry with high school students. Thus, interesting topics involving molecules and their behavior can take place efficiently when mediated by concrete experiences.

  10. ENVIRONMENTAL TECHNOLOGY VERIFICATION PROTOCOL: BIOREACTION SYSTEM CONTROL TECHNOLOGIES FOR VOLATILE ORGANIC COMPOUND EMISSIONS

    EPA Science Inventory

    This report is a generic test plan for bioreaction systems that use biological tools to act as contaminant sorbers and biodegraders. These are usually biofilters and bioreactors which are packed bed reactors using peat, soil, etc., biotrickling filters which handle liquid phase ...

  11. Continuous Feedback and Macroscopic Coherence

    NASA Technical Reports Server (NTRS)

    Tombesi, Paolo; Vitali, David

    1996-01-01

    We show that a model, recently introduced for quantum nondemolition measurements of a quantum observable, can be adapted to obtain a measurement scheme which is able to slow down the destruction of macroscopic coherence due to the measurement apparatus.

  12. Modeling ancient Egyptian mummification on fresh human tissue: macroscopic and histological aspects.

    PubMed

    Papageorgopoulou, Christina; Shved, Natallia; Wanek, Johann; Rühli, Frank J

    2015-06-01

    Many studies have been concerned with the ancient Egyptian mummification method; nevertheless, little effort has been made to explore it experimentally. The goal of this study is to apply evidence-based diagnostic criteria and state-of-the art methodology in order to improve knowledge on soft tissues preservation and postmortem alterations. Two human lower limbs (LL) from a female donor were (1) "naturally" mummified by dry heat and (2) artificially in natron. At specific time intervals a macroscopic and radiological examination of the LL was performed and skin and muscle samples were taken for histological and biomolecular analysis. Temperature, humidity, pH, and weight of the LL were systematically measured. The mummification by dry heat was stopped after 7 days due to unexpected lack of mummification progress. The mummification in natron was completed successfully after 208 days. The humidity, the external temperature, and the pH were proven with Pearson correlation and principal component analysis as important factors for the mummification process. The steady removal of water from the tissues through the natron has prevented the putrefaction. This is also evident in the absence of bacteria or fungi through the microbiological analysis. The histological analysis revealed very good preservation of the skin and the muscle tissues. In the muscular sample certain degree of structural disintegration can be seen, particularly affecting the epimysium whilst in the skin samples the epidermis, especially the stratum corneum, is mostly affected. The samples show better preservation compared with ancient Egyptian sections and other mummified tissues from historic or forensic context. © 2015 Wiley Periodicals, Inc.

  13. Macroscopic modeling of heat and water vapor transfer with phase change in dry snow based on an upscaling method: Influence of air convection

    NASA Astrophysics Data System (ADS)

    Calonne, N.; Geindreau, C.; Flin, F.

    2015-12-01

    At the microscopic scale, i.e., pore scale, dry snow metamorphism is mainly driven by the heat and water vapor transfer and the sublimation-deposition process at the ice-air interface. Up to now, the description of these phenomena at the macroscopic scale, i.e., snow layer scale, in the snowpack models has been proposed in a phenomenological way. Here we used an upscaling method, namely, the homogenization of multiple-scale expansions, to derive theoretically the macroscopic equivalent modeling of heat and vapor transfer through a snow layer from the physics at the pore scale. The physical phenomena under consideration are steady state air flow, heat transfer by conduction and convection, water vapor transfer by diffusion and convection, and phase change (sublimation and deposition). We derived three different macroscopic models depending on the intensity of the air flow considered at the pore scale, i.e., on the order of magnitude of the pore Reynolds number and the Péclet numbers: (A) pure diffusion, (B) diffusion and moderate convection (Darcy's law), and (C) strong convection (nonlinear flow). The formulation of the models includes the exact expression of the macroscopic properties (effective thermal conductivity, effective vapor diffusion coefficient, and intrinsic permeability) and of the macroscopic source terms of heat and vapor arising from the phase change at the pore scale. Such definitions can be used to compute macroscopic snow properties from 3-D descriptions of snow microstructures. Finally, we illustrated the precision and the robustness of the proposed macroscopic models through 2-D numerical simulations.

  14. A Lumped, Macroscopic Approach to Modeling Soil Moisture, CO2 Transport, and Chemical Weathering in the Critical Zone

    NASA Astrophysics Data System (ADS)

    Porporato, A. M.; Parolari, A.

    2015-12-01

    Ecohydrological processes in the root zone act as a dynamic interface between the atmosphere and the deeper soil layers, modulating the conditions that drive chemical weathering along the soil profile. Among these processes, soil moisture dynamics respond to intermittent rainfall pulses and to runoff and evapotranspiration losses. In addition, carbon dioxide (CO2) and its associated acidity are introduced into the soil moisture via root and microbial respiration. The coupling of soil moisture and CO2 dynamics in the root zone acts as an important controller of the critical zone development through the chemical weathering and water chemistry exported through runoff and percolation. Due to spatial and temporal variability and non-linearity, modeling these coupled root zone soil moisture and CO2 dynamics presents a number of challenges. In this talk, a lumped, macroscopic approach to modeling soil moisture, CO2 transport, and chemical weathering in the critical zone is introduced. The model considers a homogeneous soil column, therefore simplifying known spatial heterogeneities, and focuses on temporal variability resulting from non-linear processes and stochastic rainfall forcing. First, at short time-scales, the deterministic temporal evolution of soil moisture, dissolved inorganic carbon, pH, and alkalinity is analyzed using a dynamical system approach. Second, at longer inter-annual time-scales where rainfall stochasticity becomes an important driver of the system behavior, the system is analyzed probabilistically and its average behavior described using a novel macroscopic approach. This averaging of the nonlinear stochastic dynamics results in a closure problem that is addressed through a first-order approximation of non-linear fluxes, including the correlation between soil moisture and solutes. The model provides a method to assess how changes in external forcing or system properties propagate into and alter critical zone structure and function, and to isolate

  15. Macroscopic constraints on string unification

    SciTech Connect

    Taylor, T.R.

    1989-03-01

    The comparison of sting theory with experiment requires a huge extrapolation from the microscopic distances, of order of the Planck length, up to the macroscopic laboratory distances. The quantum effects give rise to large corrections to the macroscopic predictions of sting unification. I discus the model-independent constraints on the gravitational sector of string theory due to the inevitable existence of universal Fradkin-Tseytlin dilatons. 9 refs.

  16. Impact of the irregular microgeometry of polyurethane foam on the macroscopic acoustic behavior predicted by a unit-cell model.

    PubMed

    Doutres, O; Ouisse, M; Atalla, N; Ichchou, M

    2014-10-01

    This paper deals with the prediction of the macroscopic sound absorption behavior of highly porous polyurethane foams using two unit-cell microstructure-based models recently developed by Doutres, Atalla, and Dong [J. Appl. Phys. 110, 064901 (2011); J. Appl. Phys. 113, 054901 (2013)]. In these models, the porous material is idealized as a packing of a tetrakaidecahedra unit-cell representative of the disordered network that constitutes the porous frame. The non-acoustic parameters involved in the classical Johnson-Champoux-Allard model (i.e., porosity, airflow resistivity, tortuosity, etc.) are derived from characteristic properties of the unit-cell and semi-empirical relationships. A global sensitivity analysis is performed on these two models in order to investigate how the variability associated with the measured unit-cell characteristics affects the models outputs. This allows identification of the possible limitations of a unit-cell micro-macro approach due to microstructure irregularity. The sensitivity analysis mainly shows that for moderately and highly reticulated polyurethane foams, the strut length parameter is the key parameter since it greatly impacts three important non-acoustic parameters and causes large uncertainty on the sound absorption coefficient even if its measurement variability is moderate. For foams with a slight inhomogeneity and anisotropy, a micro-macro model associated to cell size measurements should be preferred.

  17. Continuum modelling of pedestrian flows: From microscopic principles to self-organised macroscopic phenomena

    NASA Astrophysics Data System (ADS)

    Hoogendoorn, Serge P.; van Wageningen-Kessels, Femke L. M.; Daamen, Winnie; Duives, Dorine C.

    2014-12-01

    The dynamics of pedestrian flows can be captured in a continuum modelling framework. However, compared to vehicular flow, this is a much more challenging task. In particular the integration of flow propagation and path choice are known to be problematic. Furthermore, pedestrian flow is characterised by different self-organised phenomena, such as the formation of dynamic lanes and diagonal stripes, which have not yet been captured in a continuum modelling framework. This contribution puts forward a novel multi-class continuum model that captures some of the key features of pedestrian flows. It considers path choice behaviour on both the strategic (pre-trip) and tactical (en-route) level. To achieve this, we present a methodology to derive a continuum model from a microscopic walker model, in this case the social forces model. In doing so, we show that the interaction term present in the social forces model introduces a local path choice component in the equilibrium velocity. Having derived the model, we analyse its properties both by means of mathematical analyses and simulation studies. This reveals the general behaviour of the model, as well as the ability of the model to reproduce self-organised structures, and phase transitions. To the best of our knowledge, this is the first continuum model that is able to reproduce these self-organised structures.

  18. Macroscopic modeling of pedestrian and bicycle crashes: A cross-comparison of estimation methods.

    PubMed

    Amoh-Gyimah, Richard; Saberi, Meead; Sarvi, Majid

    2016-08-01

    The paper presents a cross-comparison of different estimation methods to model pedestrian and bicycle crashes. The study contributes to macro level safety studies by providing further methodological and empirical evidence on the various factors that influence the frequency of pedestrian and bicycle crashes at the planning level. Random parameter negative binomial (RPNB) models are estimated to explore the effects of various planning factors associated with total, serious injury and minor injury crashes while accounting for unobserved heterogeneity. Results of the RPNB models were compared with the results of a non-spatial negative binomial (NB) model and a Poisson-Gamma-CAR model. Key findings are, (1) the RPNB model performed best with the lowest mean absolute deviation, mean squared predicted error and Akaiki information criterion measures and (2) signs of estimated parameters are consistent if these variables are significant in models with the same response variables. We found that vehicle kilometers traveled (VKT), population, percentage of commuters cycling or walking to work, and percentage of households without motor vehicles have a significant and positive correlation with the number of pedestrian and bicycle crashes. Mixed land use is also found to have a positive association with the number of pedestrian and bicycle crashes. Results have planning and policy implications aimed at encouraging the use of sustainable modes of transportation while ensuring the safety of pedestrians and cyclist.

  19. Bioreactivity of municipal solid waste landfill leachates-Hormesis and DNA damage.

    PubMed

    Koshy, Lata; Jones, Tim; BéruBé, Kelly

    2008-04-01

    The issue of domestic waste is recognised as one of the most serious environmental problems facing the nation. With the UK producing 35 million tonnes of municipal solid waste per annum, an understanding of the ranges of toxicity of landfill emissions is crucial to determine the degree of concern we should have about the potential effects these waste sites could have upon nearby populations and the surrounding environment. The aim of this study was to evaluate the bioreactivity of landfill leachates in terms of their capacity to damage ROS-sensitive bacteriophage plasmid DNA and induce toxicity in a commercial photobacterium toxicity assay, based on the light emission of Vibrio fischeri bacteria (ROTAS). The bacterial assay revealed widespread biostimulation and a hormesis response in the bacteria, with alpha-, beta- and gamma-response curves observed following exposure to the different landfill leachates. Different biological mechanisms lead to variations in bioreactivity, as seen in the plasmid DNA scission and ROTAS assays.

  20. Hydrodynamic model for plasmonics: a macroscopic approach to a microscopic problem.

    PubMed

    Ciracì, Cristian; Pendry, John B; Smith, David R

    2013-04-15

    In this concept, we present the basic assumptions and techniques underlying the hydrodynamic model of electron response in metals and demonstrate that the model can be easily incorporated into computational models. We discuss the role of the additional boundary conditions that arise due to nonlocal terms in the modified equation of motion and the ultimate impact on nanoplasmonic systems. The hydrodynamic model captures much of the microscopic dynamics relating to the fundamental quantum mechanical nature of the electrons and reveals intrinsic limitations to the confinement and enhancement of light around nanoscale features. The presence of such limits is investigated numerically for different configurations of plasmonic nanostructures. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. The macroscopic entrainment processes of simulated cumulus ensemble. Part II: Testing the entraining-plume model

    SciTech Connect

    Lin, Chichung; Arakawa, Akio

    1997-04-15

    According to Part I of this paper, is seems that ignoring the contribution from descendent cloud air in a cloud model for cumulus parameterization (CMCP), such as the spectral cumulus ensemble model in the Arakawa-Schubert parameterization, is an acceptable simplification for tropical deep convection. Since each subensemble in the spectral cumulus ensemble model is formally analogous to an entraining plume, the latter is examined using the simulated data from a cloud-resolving model (CRM). The authors first follow the analysis procedure of Warner. With the data from a nonprecipitating experiment, the authors show that the entraining-plume model cannot simultaneously predict the mean liquid water profile and cloud top height of the clouds simulated by the CRM. However, the mean properties of active elements of clouds, which are characterized by strong updrafts, can be described by an entraining plume of similar top height. With data from a precipitating experiment, the authors examine the spectral cumulus ensemble model using the Paluch diagram. It is found that the spectral cumulus ensemble model appears adequate if different types of clouds in the spectrum are interpreted as subcloud elements with different entrainment characteristics. The resolved internal structure of clouds can thus be viewed as a manifestation of a cloud spectrum. To further investigate whether the fractional rate of entrainment is an appropriate parameter for characterizing cloud types in the spectral cumulus ensemble model, the authors stratify the simulated saturated updrafts (subcloud elements) into different types according to their eventual heights and calculate the cloud mass flux and mean moist static energy for each type. Entrainment characteristics are then inferred through the cloud mass flux and in-cloud moist static energy. It is found that different types of subcloud elements have distinguishable thermodynamic properties and entrainment characteristics. 16 refs., 8 figs.

  2. Application of bioreactance for cardiac output assessment during exercise in healthy individuals.

    PubMed

    Elliott, Adrian; Hull, James H; Nunan, David; Jakovljevic, Djordje G; Brodie, David; Ansley, Lesley

    2010-07-01

    In patients with cardiac failure, bioreactance-based cardiac output (CO) monitoring provides a valid non-invasive method for assessing cardiac performance during exercise. The purpose of this study was to evaluate the efficacy of this technique during strenuous exercise in healthy, trained individuals. Fourteen recreational cyclists, mean (SD) age of 34 (8) years and relative peak oxygen uptake of (VO(2)) 56 (6) ml kg(-1) min(-1), underwent incremental maximal exercise testing, whilst CO was recorded continuously using a novel bioreactance-based device (CO(bio)). The CO(bio) was evaluated against relationship with VO(2), theoretical calculation of arterial-venous oxygen difference (C(a - v) O(2)) and level of agreement with an inert gas rebreathing method (CO(rb)) using a Bland-Altman plot. Bioreactance-based CO measurement was practical and straightforward in application, although there was intermittent loss of electrocardiograph signal at high-intensity exercise. At rest and during exercise, CO(bio) was strongly correlated with VO(2) (r = 0.84; P < 0.001), however, there was evidence of systematic bias with CO(bio) providing lower values than CO(rb); mean bias (limits of agreement) -19% (14.6 to -53%). Likewise, calculated (C(a - v) O(2)) was greater when determined using CO(bio) than CO(rb) (P < 0.001), although both devices provided values in excess of those reported in invasive studies. Bioreactance-based determination of CO provides a pragmatic approach to the continuous assessment of cardiac performance during strenuous exercise in trained individuals. Our findings, however, suggest that further work is needed to refine the key measurement determinants of CO using this device to improve measurement accuracy in this setting.

  3. Tundish Open Eye Formation in Inert Gas-Shrouded Tundishes: A Macroscopic Model from First Principles

    NASA Astrophysics Data System (ADS)

    Chatterjee, Saikat; Chattopadhyay, Kinnor

    2016-10-01

    Open eye formation in tundishes can result in reoxidation of liquid steel leading to the formation of harmful inclusions. Moreover, it is also a site for heat loss, gas absorption, and slag emulsification. All these factors make it necessary to understand the fundamentals of open eye formation, which in turn will allow us to prevent or control its harmful effects. In the present study, the bubble plume regions in a ladle and tundish were compared, and it was observed that there are significant differences between the two. Moreover, a simplistic model for predicting the open eye area in tundishes for `thin slag' practices was derived using the principles of conservation of mass and momentum. The proposed model was able to predict open eye areas in tundish reasonably well and was compared with other models, and experimental results.

  4. Macroscopic Modeling of A3B15A3 Triblock Copolymers in B Solvent

    DTIC Science & Technology

    2010-11-01

    7  Figure 4. The l2 norm of the (top) Young’s and (middle) shear moduli as well as our (bottom...Lastly, using a finite-element based mechanical homogenization method for linear elasticity, we have also calculated the Young’s and shear moduli ...model can be found in references 44 and 45. This method was used to calculate the relative values of the Young’s (E) and shear (G) moduli by Andzelm

  5. A three-dimensional meso-macroscopic model for Li-Ion intercalation batteries

    DOE PAGES

    Allu, S.; Kalnaus, S.; Simunovic, S.; ...

    2016-06-09

    Through this study, we present a three-dimensional computational formulation for electrode-electrolyte-electrode system of Li-Ion batteries. The physical consistency between electrical, thermal and chemical equations is enforced at each time increment by driving the residual of the resulting coupled system of nonlinear equations to zero. The formulation utilizes a rigorous volume averaging approach typical of multiphase formulations used in other fields and recently extended to modeling of supercapacitors [1]. Unlike existing battery modeling methods which use segregated solution of conservation equations and idealized geometries, our unified approach can model arbitrary battery and electrode configurations. The consistency of multi-physics solution also allowsmore » for consideration of a wide array of initial conditions and load cases. The formulation accounts for spatio-temporal variations of material and state properties such as electrode/void volume fractions and anisotropic conductivities. The governing differential equations are discretized using the finite element method and solved using a nonlinearly consistent approach that provides robust stability and convergence. The new formulation was validated for standard Li-ion cells and compared against experiments. Finally, its scope and ability to capture spatio-temporal variations of potential and lithium distribution is demonstrated on a prototypical three-dimensional electrode problem.« less

  6. A three-dimensional meso-macroscopic model for Li-Ion intercalation batteries

    NASA Astrophysics Data System (ADS)

    Allu, S.; Kalnaus, S.; Simunovic, S.; Nanda, J.; Turner, J. A.; Pannala, S.

    2016-09-01

    In this paper we present a three-dimensional computational formulation for electrode-electrolyte-electrode system of Li-Ion batteries. The physical consistency between electrical, thermal and chemical equations is enforced at each time increment by driving the residual of the resulting coupled system of nonlinear equations to zero. The formulation utilizes a rigorous volume averaging approach typical of multiphase formulations used in other fields and recently extended to modeling of supercapacitors [1]. Unlike existing battery modeling methods which use segregated solution of conservation equations and idealized geometries, our unified approach can model arbitrary battery and electrode configurations. The consistency of multi-physics solution also allows for consideration of a wide array of initial conditions and load cases. The formulation accounts for spatio-temporal variations of material and state properties such as electrode/void volume fractions and anisotropic conductivities. The governing differential equations are discretized using the finite element method and solved using a nonlinearly consistent approach that provides robust stability and convergence. The new formulation was validated for standard Li-ion cells and compared against experiments. Its scope and ability to capture spatio-temporal variations of potential and lithium distribution is demonstrated on a prototypical three-dimensional electrode problem.

  7. From Stories to Scientific Models and Back: Narrative framing in modern macroscopic physics

    NASA Astrophysics Data System (ADS)

    Fuchs, Hans U.

    2015-04-01

    Narrative in science learning has become an important field of inquiry. Most applications of narrative are extrinsic to science-such as when they are used for creating affect and context. Where they are intrinsic, they are often limited to special cases and uses. To extend the reach of narrative in science, a hypothesis of narrative framing of natural and technical scenes is formulated. The term narrative framing is used in a double sense, to represent (1) the enlisting of narrative intelligence in the perception of phenomena and (2) the telling of stories that contain conceptual elements used in the creation of scientific models of these phenomena. The concrete case for narrative framing is made by conceptual analyses of simple stories of natural phenomena and of products related to modern continuum thermodynamics that reveal particular figurative structures. Importantly, there is evidence for a medium-scale perceptual gestalt called force of nature that is structured metaphorically and narratively. The resulting figurative conceptual structure gives rise to the notion of natural agents acting and suffering in storyworlds. In order to show that formal scientific models are deeply related to these storyworlds, a link between using (i.e. simulating) models and storytelling is employed. This link has recently been postulated in studies of narrative in computational science and economics.

  8. A phenomenological cohesive model for the macroscopic simulation of cell-matrix adhesions.

    PubMed

    Cóndor, M; García-Aznar, J M

    2017-02-17

    Cell adhesion is crucial for cells to not only physically interact with each other but also sense their microenvironment and respond accordingly. In fact, adherent cells can generate physical forces that are transmitted to the surrounding matrix, regulating the formation of cell-matrix adhesions. The main purpose of this work is to develop a computational model to simulate the dynamics of cell-matrix adhesions through a cohesive formulation within the framework of the finite element method and based on the principles of continuum damage mechanics. This model enables the simulation of the mechanical adhesion between cell and extracellular matrix (ECM) as regulated by local multidirectional forces and thus predicts the onset and growth of the adhesion. In addition, this numerical approach allows the simulation of the cell as a whole, as it models the complete mechanical interaction between cell and ECM. As a result, we can investigate and quantify how different mechanical conditions in the cell (e.g., contractile forces, actin cytoskeletal properties) or in the ECM (e.g., stiffness, external forces) can regulate the dynamics of cell-matrix adhesions.

  9. A three-dimensional meso-macroscopic model for Li-Ion intercalation batteries

    SciTech Connect

    Allu, S.; Kalnaus, S.; Simunovic, S.; Nanda, J.; Turner, J. A.; Pannala, S.

    2016-06-09

    Through this study, we present a three-dimensional computational formulation for electrode-electrolyte-electrode system of Li-Ion batteries. The physical consistency between electrical, thermal and chemical equations is enforced at each time increment by driving the residual of the resulting coupled system of nonlinear equations to zero. The formulation utilizes a rigorous volume averaging approach typical of multiphase formulations used in other fields and recently extended to modeling of supercapacitors [1]. Unlike existing battery modeling methods which use segregated solution of conservation equations and idealized geometries, our unified approach can model arbitrary battery and electrode configurations. The consistency of multi-physics solution also allows for consideration of a wide array of initial conditions and load cases. The formulation accounts for spatio-temporal variations of material and state properties such as electrode/void volume fractions and anisotropic conductivities. The governing differential equations are discretized using the finite element method and solved using a nonlinearly consistent approach that provides robust stability and convergence. The new formulation was validated for standard Li-ion cells and compared against experiments. Finally, its scope and ability to capture spatio-temporal variations of potential and lithium distribution is demonstrated on a prototypical three-dimensional electrode problem.

  10. A three-dimensional meso-macroscopic model for Li-Ion intercalation batteries

    SciTech Connect

    Allu, S.; Kalnaus, S.; Simunovic, S.; Nanda, J.; Turner, J. A.; Pannala, S.

    2016-06-09

    Through this study, we present a three-dimensional computational formulation for electrode-electrolyte-electrode system of Li-Ion batteries. The physical consistency between electrical, thermal and chemical equations is enforced at each time increment by driving the residual of the resulting coupled system of nonlinear equations to zero. The formulation utilizes a rigorous volume averaging approach typical of multiphase formulations used in other fields and recently extended to modeling of supercapacitors [1]. Unlike existing battery modeling methods which use segregated solution of conservation equations and idealized geometries, our unified approach can model arbitrary battery and electrode configurations. The consistency of multi-physics solution also allows for consideration of a wide array of initial conditions and load cases. The formulation accounts for spatio-temporal variations of material and state properties such as electrode/void volume fractions and anisotropic conductivities. The governing differential equations are discretized using the finite element method and solved using a nonlinearly consistent approach that provides robust stability and convergence. The new formulation was validated for standard Li-ion cells and compared against experiments. Finally, its scope and ability to capture spatio-temporal variations of potential and lithium distribution is demonstrated on a prototypical three-dimensional electrode problem.

  11. Revealing the activation pathway for TMEM16A chloride channels from macroscopic currents and kinetic models.

    PubMed

    Contreras-Vite, Juan A; Cruz-Rangel, Silvia; De Jesús-Pérez, José J; Figueroa, Iván A Aréchiga; Rodríguez-Menchaca, Aldo A; Pérez-Cornejo, Patricia; Hartzell, H Criss; Arreola, Jorge

    2016-07-01

    TMEM16A (ANO1), the pore-forming subunit of calcium-activated chloride channels, regulates several physiological and pathophysiological processes such as smooth muscle contraction, cardiac and neuronal excitability, salivary secretion, tumour growth and cancer progression. Gating of TMEM16A is complex because it involves the interplay between increases in intracellular calcium concentration ([Ca(2+)]i), membrane depolarization, extracellular Cl(-) or permeant anions and intracellular protons. Our goal here was to understand how these variables regulate TMEM16A gating and to explain four observations. (a) TMEM16A is activated by voltage in the absence of intracellular Ca(2+). (b) The Cl(-) conductance is decreased after reducing extracellular Cl(-) concentration ([Cl(-)]o). (c) ICl is regulated by physiological concentrations of [Cl(-)]o. (d) In cells dialyzed with 0.2 μM [Ca(2+)]i, Cl(-) has a bimodal effect: at [Cl(-)]o <30 mM TMEM16A current activates with a monoexponential time course, but above 30 mM, [Cl(-)]o ICl activation displays fast and slow kinetics. To explain the contribution of Vm, Ca(2+) and Cl(-) to gating, we developed a 12-state Markov chain model. This model explains TMEM16A activation as a sequential, direct, and Vm-dependent binding of two Ca(2+) ions coupled to a Vm-dependent binding of an external Cl(-) ion, with Vm-dependent transitions between states. Our model predicts that extracellular Cl(-) does not alter the apparent Ca(2+) affinity of TMEM16A, which we corroborated experimentally. Rather, extracellular Cl(-) acts by stabilizing the open configuration induced by Ca(2+) and by contributing to the Vm dependence of activation.

  12. Asymptotic Modeling of Flows in Micro-Channel by Using Macroscopic Balance Equations

    NASA Astrophysics Data System (ADS)

    Gatignol, Renée; Croizet, Cédric

    2011-05-01

    The introduction of a small parameter related to a micro-channel geometry and the application of the Principle of Least Degeneracy to the dimensionless Navier-Stokes equations produce models for the study of micro-channel flows with small Mach number and small or moderate Knudsen number. The first approximation of the asymptotic solution is calculated for a steady gas flow inside a micro-channel with a temperature gradient along the walls. In addition, Direct Simulation Monte Carlo (DSMC) method is used to analyze the same problem and some comparisons are presented. Analytical asymptotic solutions and DSMC numerical simulations found to be in very good agreement.

  13. Monte Carlo simulations derived from direct observations of individual bacteria inform macroscopic migration models at granular porous media interfaces.

    PubMed

    Kusy, Kevin; Ford, Roseanne M

    2007-09-15

    Motile bacteria accumulated at the interface between an aqueous solution and a polymer gel suspension. The gel suspension was produced using Gelrite and contained 50-500 microm semisolid gel particulates in aqueous buffer. Smooth-swimming (HCB437) and wild-type (HCB1) Escherchia coli displayed normal swimming behaviors in the aqueous buffer but exhibited no translational motion when obstructed by the semisolid particulates of the gel suspension. Translational motion immediately resumed after the bacteria reoriented in a direction away from the particle surfaces. These observations were incorporated into Monte Carlo simulations that linked individual swimming properties to macroscopic bacterial distributions. The simulations suggested that the apparent surface area of the porous media influenced the degree of bacteria/surface interactions and thatthe mechanism of surface association could concentrate bacterial populations based upon the physical constraints of the porous media system. Population distributions from the Monte Carlo simulations matched a 1-D transport model that characterized the bacteria/surface interactions as an adsorption-like process even though direct observations suggested no physical attachment was occurring. Consequently, the 1-D transport model provided a semiquantitative approach to approximate bacterial migrations within porous media systems. Results suggest that the self-propulsive nature of bacteria can produce nondiffusive migration patterns within high-surface area environments.

  14. Finite lattice model for molecular aggregation equilibria. Boolean statistics, analytical approximations, and the macroscopic limit.

    PubMed

    Rankin, Blake M; Ben-Amotz, Dor; Widom, B

    2015-09-14

    Molecular processes, ranging from hydrophobic aggregation and protein binding to mesoscopic self-assembly, are typically driven by a delicate balance of energetic and entropic non-covalent interactions. Here, we focus on a broad class of such processes in which multiple ligands bind to a central solute molecule as a result of solute-ligand (direct) and/or ligand-ligand (cooperative) interaction energies. Previously, we described a weighted random mixing (WRM) mean-field model for such processes and compared the resulting adsorption isotherms and aggregate size distributions with exact finite lattice (FL) predictions, for lattices with up to n = 20 binding sites. Here, we compare FL predictions obtained using both Bethe-Guggenheim (BG) and WRM approximations, and find that the latter two approximations are complementary, as they are each most accurate in different aggregation regimes. Moreover, we describe a computationally efficient method for exhaustively counting nearest neighbors in FL configurations, thus making it feasible to obtain FL predictions for systems with up n = 48 binding sites, whose properties approach the thermodynamic (infinite lattice) limit. We further illustrate the applicability of our results by comparing lattice model and molecular dynamics simulation predictions pertaining to the aggregation of methane around neopentane.

  15. Cadmium block of squid calcium currents. Macroscopic data and a kinetic model

    PubMed Central

    1991-01-01

    The mechanism of Cd2+ block of Ca2+ currents (ICa) was explored in squid neurons using whole-cell patch clamp. Control currents activated sigmoidally, more rapidly at more positive potentials, and did not inactivate significantly. External Cd2+ up to 250 microM reduced ICa reversibly. For small depolarizations, the current for a step of 10 ms increased to a maintained value, resembling the control; but for Vm greater than 0 mV, the increase was followed by a decrease, as Cd2+ block became greater. Final block was greater for larger depolarizations. At 0 mV the half-blocking concentration was 125 microM. Tail currents, measured as channels close, had an initial "hook" when recorded in Cd2+: currents increased transiently, then decreased. This suggests that Cd2+ escapes from some channels, which then conduct briefly before closing. Analysis of tail currents shows that Cd2+ does not slow channel closing. The data can be explained if Cd2+ is a permeant blocker of Ca2+ channels and if channels can close when occupied by Cd2+. Cd2+ permeates the channels, but binds transiently to a site in the pore, obstructing the passage of other ions (e.g., Ca2+). Dwell time depends on the transmembrane potential, becoming shorter for more negative internal potentials. A five-state model was used to simulate the steady-state and kinetic features. It combines a Hodgkin-Huxley type m2 gating scheme and a one-site Woodhull ionic blockage model for a permeant blocker and includes a closed blocked state. To fit the data, the binding site for Cd2+ had to be near the outer end of the pore, with a well depth of -12.2 RT, and with a barrier at each end of the pore. The model predicts that the Cd2+ entry rate is nearly voltage independent, but the exit rate is steeply voltage dependent (e-fold/17 mV). Analysis further suggests that the channel closes at a normal rate with Cd2+ in the pore. PMID:1660061

  16. Modeling the three-dimensional structure of macroscopic magma transport systems: Application to Kilauea volcano, Hawaii

    SciTech Connect

    Ryan, M.P.; Koyanagi, R.Y.; Fiske, R.S.

    1981-08-10

    We report the results of modeling the three-dimensional internal structure of Kilauea's magmatic passageways. The approach uses a clear plexiglass model containing equally-spaced levels upon which well-located seismic hypocenters are plotted. Application of constraining geologic and geophysical criteria to this distributed volume of earthquakes permits the interpretation of seismic structures produced by fracturing in response to locally high fluid pressures. Four magma transport and storage structures produce have been identified within and beneath Kilauea: (1) Primary conduit. The conduit transporting magma into Kilauea's summit storage reservoir rises from the model base (14.6 km) to 6.5 km depth level. It is a zone of intense fracturing and inferred intrusion, whose horizontal sections are elliptical in planform. Over its height, the average major axis of component horizontal section is 3.3 km, with an average minor axis of 1.7 km. This yields an aspect ratio of xi = 0.52. At the 14.6 km level, the strike of the major axis is N67 /sup 0/E. During passage from the upper mantle through the oceanic crust, this axis rotates in a right-handed sense, until the strike is N41 /sup 0/W at the 6.5 km level. (2) Magma chamber complex floor. The interval from 6.5 to 5.7 km, immediately over the primary conduit, is aseismic. This suggests differentially high fluid-to-rock ratios, and relatively weak pathways for further vertical transport into higher levels of the storage complex, as well as lateral leakage eastward into the Mauna Ulu staging area: for later vertical ascent beneath the upper east rift zone. Seismicity within the immediately subjacent rocks that form the top of the primary conduit (at 6.5 km) suggests that this inferred magma-rich horizon forms the effective floor of the summit storage complex. (3) Magma chamber crown. Intense seismicity over the 1.1--1.9 km depth interval defines an elliptical region in plan view.

  17. Use of a macroscopic model for describing the effects of porosity on shock wave propagation

    SciTech Connect

    Arrigoni, M.; Boustie, M.; Resseguier, T. de; Pons, F.; He, H. L.; Seaman, L.; Bolis, C.; Berthe, L.; Barradas, S.; Jeandin, M.

    2007-04-15

    Materials are manufactured by sintering involve porosity. Some material processes, like laser peening, consist in applying shocks onto the surface of a porous material surface to induce permanent densification that will increase its resistance to corrosion and wear. An estimation of the residual compaction and stresses within the material after treatment requires a good knowledge of shock wave propagation in such media. To investigate the effects of porosity on this propagation, we have performed velocity interferometer system for any reflectors measurements on laser shock-loaded samples of sintered steels with 10%-28% porosity. The records do not agree with the predictions of a simple P-{alpha} model from the literature. Hence, a formulation of the compaction process is proposed to improve the correlation between experimental and simulated velocity profile.

  18. Macroscopic magnetic frustration.

    PubMed

    Mellado, Paula; Concha, Andres; Mahadevan, L

    2012-12-21

    Although geometrical frustration transcends scale, it has primarily been evoked in the micro- and mesoscopic realm to characterize such phases as spin ice, liquids, and glasses and to explain the behavior of such materials as multiferroics, high-temperature superconductors, colloids, and copolymers. Here we introduce a system of macroscopic ferromagnetic rotors arranged in a planar lattice capable of out-of-plane movement that exhibit the characteristic honeycomb spin ice rules studied and seen so far only in its mesoscopic manifestation. We find that a polarized initial state of this system settles into the honeycomb spin ice phase with relaxation on multiple time scales. We explain this relaxation process using a minimal classical mechanical model that includes Coulombic interactions between magnetic charges located at the ends of the magnets and viscous dissipation at the hinges. Our study shows how macroscopic frustration arises in a purely classical setting that is amenable to experiment, easy manipulation, theory, and computation, and shows phenomena that are not visible in their microscopic counterparts.

  19. Models of stratum corneum intercellular membranes: 2H NMR of macroscopically oriented multilayers.

    PubMed Central

    Fenske, D B; Thewalt, J L; Bloom, M; Kitson, N

    1994-01-01

    Deuterium NMR was used to characterize model membrane systems approximating the composition of the intercellular lipid lamellae of mammalian stratum corneum (SC). The SC models, equimolar mixtures of ceramide:cholesterol:palmitic acid (CER:CHOL:PA) at pH 5.2, were contrasted with the sphingomyelin:CHOL:PA (SPM:CHOL:PA) system, where the SPM differs from the CER only in the presence of a phosphocholine headgroup. The lipids were prepared both as oriented samples and as multilamellar dispersions, and contained either perdeuterated palmitic acid (PA-d31) or [2,2,3,4,6-2H5]CHOL (CHOL-d5). SPM:CHOL:PA-d31 formed liquid-ordered membranes over a wide range of temperatures, with a maximum order parameter of approximately 0.4 at 50 degrees C for positions C3-C10 (the plateau region). The quadrupolar splitting at C2 was significantly smaller, suggesting an orientational change at this position, possibly because of hydrogen bonding with water and/or other surface components. A comparison of the longitudinal relaxation times obtained at theta = 0 degrees and 90 degrees (where theta is the angle between the normal to the glass plates and the magnetic field) revealed a significant T1Z anisotropy for all positions. In contrast to the behavior observed with the SPM system, lipid mixtures containing CER exhibited a complex polymorphism. Between 20 and 50 degrees C, a significant portion of the entire membrane (as monitored by both PA-d31 and CHOL-d5) was found to exist as a solid phase, with the remainder either a gel or liquid-ordered phase. The proportion of solid decreased as the temperature was increased and disappeared entirely above 50 degrees C. Between 50 and 70 degrees C, the membrane underwent a liquid-ordered to isotropic phase transition. These transitions were reversible but displayed considerable hysteresis, especially the conversion from a fluid phase to solid. The order profiles, relaxation behavior, and angular dependence of these parameters suggest strongly that

  20. Nuclear physics: Macroscopic aspects

    SciTech Connect

    Swiatecki, W.J.

    1993-12-01

    A systematic macroscopic, leptodermous approach to nuclear statics and dynamics is described, based formally on the assumptions {h_bar} {yields} 0 and b/R << 1, where b is the surface diffuseness and R the nuclear radius. The resulting static model of shell-corrected nuclear binding energies and deformabilities is accurate to better than 1 part in a thousand and yields a firm determination of the principal properties of the nuclear fluid. As regards dynamics, the above approach suggests that nuclear shape evolutions will often be dominated by dissipation, but quantitative comparisons with experimental data are more difficult than in the case of statics. In its simplest liquid drop version the model exhibits interesting formal connections to the classic astronomical problem of rotating gravitating masses.

  1. Static and Statistical Properties of Hot Rotating Nuclei in a Macroscopic Temperature-Dependent Finite-Range Model

    SciTech Connect

    Ryabov, E.G.; Adeev, G.D.

    2005-09-01

    A macroscopic temperature-dependent model that takes into account nuclear forces of finite range is used to calculate the static and statistical properties of hot rotating compound nuclei. The level-density parameter is approximated by an expression of the leptodermous type. The resulting expansion coefficients are in good agreement with their counterparts proposed previously by A.V. Ignatyuk and his colleagues. The effect of taking simultaneously into account the temperature of a nucleus and its angular momentum on the quantities under study, such as the heights and positions of fission barriers and the effective moments of inertia of nuclei at the barrier, is considered, and the importance of doing this is demonstrated. The fissility parameter (Z{sup 2}/A){sub crit} and the position of the Businaro-Gallone point are studied versus temperature. It is found that, with increasing temperature, both parameters are shifted to the region of lighter nuclei. It is shown that the inclusion of temperature leads to qualitatively the same effects as the inclusion of the angular momentum of a nucleus, but, quantitatively, thermal excitation leads to smaller effects than rotational excitation.

  2. A macroscopic model of proton transport through the membrane-ionomer interface of a polymer electrolyte membrane fuel cell

    NASA Astrophysics Data System (ADS)

    Kumar, Milan; Edwards, Brian J.; Paddison, Stephen J.

    2013-02-01

    The membrane-ionomer interface is the critical interlink of the electrodes and catalyst to the polymer electrolyte membrane (PEM); together forming the membrane electrode assembly in current state-of-the-art PEM fuel cells. In this paper, proton conduction through the interface is investigated to understand its effect on the performance of a PEM fuel cell. The water containing domains at this interface were modeled as cylindrical pores/channels with the anionic groups (i.e., -SO3-) assumed to be fixed on the pore wall. The interactions of each species with all other species and an applied external field were examined. Molecular-based interaction potential energies were computed in a small test element of the pore and were scaled up in terms of macroscopic variables. Evolution equations of the density and momentum of the species (water molecules and hydronium ions) were derived within a framework of nonequilibrium thermodynamics. The resulting evolution equations for the species were solved analytically using an order-of-magnitude analysis to obtain an expression for the proton conductivity. Results show that the conductivity increases with increasing water content and pore radius, and strongly depends on the separation distance between the sulfonate groups and their distribution on the pore wall. It was also determined that the conductivity of two similar pores of different radii in series is limited by the pore with the smaller radius.

  3. A macroscopic model of proton transport through the membrane-ionomer interface of a polymer electrolyte membrane fuel cell.

    PubMed

    Kumar, Milan; Edwards, Brian J; Paddison, Stephen J

    2013-02-14

    The membrane-ionomer interface is the critical interlink of the electrodes and catalyst to the polymer electrolyte membrane (PEM); together forming the membrane electrode assembly in current state-of-the-art PEM fuel cells. In this paper, proton conduction through the interface is investigated to understand its effect on the performance of a PEM fuel cell. The water containing domains at this interface were modeled as cylindrical pores/channels with the anionic groups (i.e., -SO(3)(-)) assumed to be fixed on the pore wall. The interactions of each species with all other species and an applied external field were examined. Molecular-based interaction potential energies were computed in a small test element of the pore and were scaled up in terms of macroscopic variables. Evolution equations of the density and momentum of the species (water molecules and hydronium ions) were derived within a framework of nonequilibrium thermodynamics. The resulting evolution equations for the species were solved analytically using an order-of-magnitude analysis to obtain an expression for the proton conductivity. Results show that the conductivity increases with increasing water content and pore radius, and strongly depends on the separation distance between the sulfonate groups and their distribution on the pore wall. It was also determined that the conductivity of two similar pores of different radii in series is limited by the pore with the smaller radius.

  4. Macroscopic singlet oxygen modeling for dosimetry of Photofrin-mediated photodynamic therapy: an in-vivo study

    NASA Astrophysics Data System (ADS)

    Qiu, Haixia; Kim, Michele M.; Penjweini, Rozhin; Zhu, Timothy C.

    2016-08-01

    Although photodynamic therapy (PDT) is an established modality for cancer treatment, current dosimetric quantities, such as light fluence and PDT dose, do not account for the differences in PDT oxygen consumption for different fluence rates (φ). A macroscopic model was adopted to evaluate using calculated reacted singlet oxygen concentration ([) to predict Photofrin-PDT outcome in mice bearing radiation-induced fibrosarcoma tumors, as singlet oxygen is the primary cytotoxic species responsible for cell death in type II PDT. Using a combination of fluences (50, 135, 200, and 250 J/cm2) and φ (50, 75, and 150 mW/cm2), tumor regrowth rate, k, was determined for each condition. A tumor cure index, CI=1-k/k, was calculated based on the k between PDT-treated groups and that of the control, k. The measured Photofrin concentration and light dose for each mouse were used to calculate PDT dose and [, while mean optical properties (μa=0.9 cm-1, μs‧=8.4 cm-1) were used to calculate φ for all mice. CI was correlated to the fluence, PDT dose, and [ with R2=0.35, 0.79, and 0.93, respectively. These results suggest that [ serves as a better dosimetric quantity for predicting PDT outcome.

  5. The macroscopic pancake bounce

    NASA Astrophysics Data System (ADS)

    Andersen Bro, Jonas; Sternberg Brogaard Jensen, Kasper; Nygaard Larsen, Alex; Yeomans, Julia M.; Hecksher, Tina

    2017-01-01

    We demonstrate that the so-called pancake bounce of millimetric water droplets on surfaces patterned with hydrophobic posts (Liu et al 2014 Nat. Phys. 10 515) can be reproduced on larger scales. In our experiment, a bed of nails plays the role of the structured surface and a water balloon models the water droplet. The macroscopic version largely reproduces the features of the microscopic experiment, including the Weber number dependence and the reduced contact time for pancake bouncing. The scalability of the experiment confirms the mechanisms of pancake bouncing, and allows us to measure the force exerted on the surface during the bounce. The experiment is simple and inexpensive and is an example where front-line research is accessible to student projects.

  6. A critical review of macroscopic modeling studies on Li O2 and Li-air batteries using organic electrolyte: Challenges and opportunities

    NASA Astrophysics Data System (ADS)

    Li, Xianglin; Huang, Jing; Faghri, Amir

    2016-11-01

    A comprehensive review of the state-of-the-art macroscopic modeling studies on lithium oxygen (Li O2) and lithium air (Li-air) batteries has been presented. The Li O2 battery is a promising device for energy storage in portable electronics and electric vehicles due to its high specific energy. A number of technical challenges need to be addressed in order to bring this technology from laboratory concept to real products. The multi-scale, multi-physics phenomena in a Li O2 battery encompasses a wide range of scientific disciplines, including electrochemistry, heat and mass transfer, and material science. Modeling study provides a powerful tool to understand the charge-species transport phenomena inside a battery that cannot be captured by experimentation. It offers insight to optimize battery design and fabrication. Macroscopic models that treat battery components as continuous media will be the focus of this review while pore-scale sub-models that are integrated with macroscopic models to describe structural changes of battery components (mainly electrodes) will be presented and compared as well. Recent developments and opportunities for future improvement and advancement are also discussed. Finally, a detailed summary of property data relevant to Li O2 batteries is provided because of their critical role in modeling studies.

  7. A Model Study of Inclusions Deposition, Macroscopic Transport, and Dynamic Removal at Steel-Slag Interface for Different Tundish Designs

    NASA Astrophysics Data System (ADS)

    Chen, Chao; Ni, Peiyuan; Jonsson, Lage Tord Ingemar; Tilliander, Anders; Cheng, Guoguang; Jönsson, Pär Göran

    2016-06-01

    This paper presents computational fluid dynamics (CFD) simulation results of inclusions macroscopic transport as well as dynamic removal in tundishes. A novel treatment was implemented using the deposition velocity calculated by a revised unified Eulerian deposition model to replace the widely used Stokes rising velocity in the boundary conditions for inclusions removal at the steel-slag interface in tundishes. In this study, the dynamic removal for different size groups of inclusions at different steel-slag interfaces (smooth or rough) with different absorption conditions at the interface (partially or fully absorbed) in two tundish designs was studied. The results showed that the dynamic removal ratios were higher for larger inclusions than for smaller inclusions. Besides, the dynamic removal ratio was higher for rough interfaces than for smooth interfaces. On the other hand, regarding the cases when inclusions are partially or fully absorbed at a smooth steel-slag interface, the removal ratio values are proportional to the absorption proportion of inclusions at the steel-slag interface. Furthermore, the removal of inclusions in two tundish designs, i.e., with and without a weir and a dam were compared. Specifically, the tundish with a weir and a dam exhibited a better performance with respect to the removal of bigger inclusions (radii of 5, 7, and 9 μm) than that of the case without weir and dam. That was found to be due to the strong paralleling flow near the middle part of the top surface. However, the tundish without weir and dam showed a higher removal ratio of smaller inclusions (radius of 1 μm). The reason could be the presence of a paralleling flow near the inlet zone, where the inclusions deposition velocities were much higher than in other parts.

  8. Bioreactance is a reliable method for estimating cardiac output at rest and during exercise.

    PubMed

    Jones, T W; Houghton, D; Cassidy, S; MacGowan, G A; Trenell, M I; Jakovljevic, D G

    2015-09-01

    Bioreactance is a novel noninvasive method for cardiac output measurement that involves analysis of blood flow-dependent changes in phase shifts of electrical currents applied across the thorax. The present study evaluated the test-retest reliability of bioreactance for assessing haemodynamic variables at rest and during exercise. 22 healthy subjects (26 (4) yrs) performed an incremental cycle ergometer exercise protocol relative to their individual power output at maximal O2 consumption (Wmax) on two separate occasions (trials 1 and 2). Participants cycled for five 3 min stages at 20, 40, 60, 80 and 90% Wmax. Haemodynamic and cardiorespiratory variables were assessed at rest and continuously during the exercise protocol. Cardiac output was not significantly different between trials at rest (P=0.948), or between trials at any stage of the exercise protocol (all P>0.30). There was a strong relationship between cardiac output estimates between the trials (ICC=0.95, P<0.001) and oxygen consumption (ICC=0.99, P<0.001). Stroke volume was also not significantly different between trials at rest (P=0.989) or during exercise (all P>0.15), and strong relationships between trials were found (ICC=0.83, P<0.001). The bioreactance method demonstrates good test-retest reliability for estimating cardiac output at rest and during different stages of graded exercise testing including maximal exertion. © The Author 2015. Published by Oxford University Press on behalf of the British Journal of Anaesthesia. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  9. Engineered passive bioreactive barriers: risk-managing the legacy of industrial soil and groundwater pollution.

    PubMed

    Kalin, Robert M

    2004-06-01

    Permeable reactive barriers are a technology that is one decade old, with most full-scale applications based on abiotic mechanisms. Though there is extensive literature on engineered bioreactors, natural biodegradation potential, and in situ remediation, it is only recently that engineered passive bioreactive barrier technology is being considered at the commercial scale to manage contaminated soil and groundwater risks. Recent full-scale studies are providing the scientific confidence in our understanding of coupled microbial (and genetic), hydrogeologic, and geochemical processes in this approach and have highlighted the need to further integrate engineering and science tools.

  10. CO2 environments under extreme mineral confinement: Simulation challenges, molecular-based insights, and implications on macroscopic modeling

    NASA Astrophysics Data System (ADS)

    Chialvo, A. A.; Vlcek, L.; Cole, D. R.

    2013-12-01

    We address key issues regarding the behavior at CO2 environments under extreme silica confinement, which become of high relevance to the understanding of the process of geological storage of CO2, including (a) how the nature of the surface affects the mineral-fluid interfacial structure and the thermodynamic response functions (b) how the overlapping of mineral-fluid interfaces affects the partition of species between confinement and bulk, (c) how CO2 contaminants compete for preferential adsorption and affect the composition of the interfacial layers, and (d) how the presence of mineral stress might alter the interfacial/confinement phenomena. The effort comprises extensive isobaric-isothermal/grand-canonical molecular dynamics simulations of CO2 + contaminant systems based on optimized force-field parameterization 1-2. Based on this study we illustrate how the interplay between different types of fluid-surface interactions and extreme fluid confinement, i.e., strong overlapping of interfacial structures, can induce unexpected behavior such as (i) the significant reduction of the isothermal compressibility and isobaric thermal expansivity of confined CO2-rich phases relative to the corresponding bulk counterparts 2, (ii) drying out of the pore environment whose immediate consequence is a significant enhancement of the pore CO2 concentration relative to that of the corresponding bulk environment 3, and (iii) the significant effect of surface and fluid polarity on determining the preferential adsorption and resulting species partition. Finally, we discuss some macroscopic implications of our findings, including a novel route to define the mean density of confined fluids without requiring the estimation of the confined volume, and the inadequacy of temperature/average-density corresponding state modeling for the description of the behavior of confined fluids 3. (1) Vlcek, L.; Chialvo, A. A.; Cole, D. R. JCP B 2011, 115, 8775. (2) Chialvo, A. A.; Vlcek, L.; Cole, D. R

  11. Permeable bio-reactive barriers to address petroleum hydrocarbon contamination at subantarctic Macquarie Island.

    PubMed

    Freidman, Benjamin L; Terry, Deborah; Wilkins, Dan; Spedding, Tim; Gras, Sally L; Snape, Ian; Stevens, Geoffrey W; Mumford, Kathryn A

    2017-05-01

    A reliance on diesel generated power and a history of imperfect fuel management have created a legacy of petroleum hydrocarbon contamination at subantarctic Macquarie Island. Increasing environmental awareness and advances in contaminant characterisation and remediation technology have fostered an impetus to reduce the environmental risk associated with legacy sites. A funnel and gate permeable bio-reactive barrier (PRB) was installed in 2014 to address the migration of Special Antarctic Blend diesel from a spill that occurred in 2002, as well as older spills and residual contaminants in the soil at the Main Power House. The PRB gate comprised of granular activated carbon and natural clinoptilolite zeolite. Petroleum hydrocarbons migrating in the soil water were successfully captured on the reactive materials, with concentrations at the outflow of the barrier recorded as being below reporting limits. The nutrient and iron concentrations delivered to the barrier demonstrated high temporal variability with significant iron precipitation observed across the bed. The surface of the granular activated carbon was largely free from cell attachment while natural zeolite demonstrated patchy biofilm formation after 15 months following PRB installation. This study illustrates the importance of informed material selection at field scale to ensure that adsorption and biodegradation processes are utilised to manage the environmental risk associated with petroleum hydrocarbon spills. This study reports the first installation of a permeable bio-reactive barrier in the subantarctic. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Rank distributions: A panoramic macroscopic outlook

    NASA Astrophysics Data System (ADS)

    Eliazar, Iddo I.; Cohen, Morrel H.

    2014-01-01

    This paper presents a panoramic macroscopic outlook of rank distributions. We establish a general framework for the analysis of rank distributions, which classifies them into five macroscopic "socioeconomic" states: monarchy, oligarchy-feudalism, criticality, socialism-capitalism, and communism. Oligarchy-feudalism is shown to be characterized by discrete macroscopic rank distributions, and socialism-capitalism is shown to be characterized by continuous macroscopic size distributions. Criticality is a transition state between oligarchy-feudalism and socialism-capitalism, which can manifest allometric scaling with multifractal spectra. Monarchy and communism are extreme forms of oligarchy-feudalism and socialism-capitalism, respectively, in which the intrinsic randomness vanishes. The general framework is applied to three different models of rank distributions—top-down, bottom-up, and global—and unveils each model's macroscopic universality and versatility. The global model yields a macroscopic classification of the generalized Zipf law, an omnipresent form of rank distributions observed across the sciences. An amalgamation of the three models establishes a universal rank-distribution explanation for the macroscopic emergence of a prevalent class of continuous size distributions, ones governed by unimodal densities with both Pareto and inverse-Pareto power-law tails.

  13. Rank distributions: a panoramic macroscopic outlook.

    PubMed

    Eliazar, Iddo I; Cohen, Morrel H

    2014-01-01

    This paper presents a panoramic macroscopic outlook of rank distributions. We establish a general framework for the analysis of rank distributions, which classifies them into five macroscopic "socioeconomic" states: monarchy, oligarchy-feudalism, criticality, socialism-capitalism, and communism. Oligarchy-feudalism is shown to be characterized by discrete macroscopic rank distributions, and socialism-capitalism is shown to be characterized by continuous macroscopic size distributions. Criticality is a transition state between oligarchy-feudalism and socialism-capitalism, which can manifest allometric scaling with multifractal spectra. Monarchy and communism are extreme forms of oligarchy-feudalism and socialism-capitalism, respectively, in which the intrinsic randomness vanishes. The general framework is applied to three different models of rank distributions-top-down, bottom-up, and global-and unveils each model's macroscopic universality and versatility. The global model yields a macroscopic classification of the generalized Zipf law, an omnipresent form of rank distributions observed across the sciences. An amalgamation of the three models establishes a universal rank-distribution explanation for the macroscopic emergence of a prevalent class of continuous size distributions, ones governed by unimodal densities with both Pareto and inverse-Pareto power-law tails.

  14. Stable macroscopic quantum superpositions.

    PubMed

    Fröwis, F; Dür, W

    2011-03-18

    We study the stability of superpositions of macroscopically distinct quantum states under decoherence. We introduce a class of quantum states with entanglement features similar to Greenberger-Horne-Zeilinger (GHZ) states, but with an inherent stability against noise and decoherence. We show that in contrast to GHZ states, these so-called concatenated GHZ states remain multipartite entangled even for macroscopic numbers of particles and can be used for quantum metrology in noisy environments. We also propose a scalable experimental realization of these states using existing ion-trap setups.

  15. Microfabricated Valveless Devices for Thermal Bioreactions based on Diffusion-limited Evaporation

    PubMed Central

    Wang, Fang; Yang, Ming; Burns, Mark A.

    2009-01-01

    Microfluidic devices that reduce evaporative loss during thermal bioreactions such as PCR without microvalves have been developed by relying on the principle of diffusion-limited evaporation. Both theoretical and experimental results demonstrate that the sample evaporative loss can be reduced by more than 20 times using long narrow diffusion channels on both sides of the reaction region. In order to further suppress the evaporation, the driving force for liquid evaporation is reduced by two additional techniques: decreasing the interfacial temperature using thermal isolation and reducing the vapor concentration gradient by replenishing water vapor in the diffusion channels. Both thermal isolation and vapor replenishment techniques can limit the sample evaporative loss to approximately 1% of the reaction content. PMID:18094766

  16. Salinization alters fluxes of bioreactive elements from stream ecosystems across land use

    NASA Astrophysics Data System (ADS)

    Duan, S.; Kaushal, S. S.

    2015-12-01

    There has been increased salinization of fresh water over decades due to the use of road salt deicers, wastewater discharges, saltwater intrusion, human-accelerated weathering, and groundwater irrigation. Salinization can mobilize bioreactive elements (carbon, nitrogen, phosphorus, sulfur) chemically via ion exchange and/or biologically via influencing of microbial activity. However, the effects of salinization on coupled biogeochemical cycles are still not well understood. We investigated potential impacts of increased salinization on fluxes of bioreactive elements from stream ecosystems (sediments and riparian soils) to overlying stream water and evaluated the implications of percent urban land use on salinization effects. Two-day incubations of sediments and soils with stream and deionized water across three salt levels were conducted at eight routine monitoring stations across a land-use gradient at the Baltimore Ecosystem Study Long-Term Ecological Research (LTER) site in the Chesapeake Bay watershed. Results indicated (1) salinization typically increased sediment releases of labile dissolved organic carbon (DOC), dissolved inorganic carbon (DIC), total dissolved Kjeldahl nitrogen (TKN) (ammonium + ammonia + dissolved organic nitrogen), and sediment transformations of nitrate; (2) salinization generally decreased DOC aromaticity and fluxes of soluble reactive phosphorus from both sediments and soils; (3) the effects of increased salinization on sediment releases of DOC and TKN and DOC quality increased with percentage watershed urbanization. Biogeochemical responses to salinization varied between sediments and riparian soils in releases of DOC and DIC, and nitrate transformations. The differential responses of riparian soils and sediments to increased salinization were likely due to differences in organic matter sources and composition. Our results suggest that short-term increases in salinization can cause releases of significant amounts of labile organic

  17. Effective diffusivity in partially-saturated carbon-fiber gas diffusion layers: Effect of local saturation and application to macroscopic continuum models

    NASA Astrophysics Data System (ADS)

    García-Salaberri, Pablo A.; Gostick, Jeff T.; Hwang, Gisuk; Weber, Adam Z.; Vera, Marcos

    2015-11-01

    Macroscopic continuum models are an essential tool to understand the complex transport phenomena that take place in gas diffusion layers (GDLs) used in polymer electrolyte fuel cells (PEFCs). Previous work has shown that macroscopic models require effective properties obtained under uniform saturation conditions to get a consistent physical formulation. This issue, mostly unappreciated in the open literature, is addressed in detail in this work. To this end, lattice Boltzmann simulations were performed on tomographic images of dry and water-invaded carbon-paper GDL subsamples with nearly uniform porosity and saturation distributions. The computed effective diffusivity shows an anisotropic dependence on local porosity similar to that reported for morphologically analogous GDLs. In contrast, the dependence on local saturation is rather isotropic, following a nearly quadratic power law. The capability of the local correlations to recover the layer-scale properties obtained from inhomogeneous GDLs is checked by global averaging. Good agreement is found between the upscaled results and the diffusivity data of the GDL from which the present subsamples were taken, as well as other global data presented in the literature. A higher blockage effect of local saturation is, however, expected for the under-the-rib region in operating PEFCs.

  18. Connecting grain-scale physics to macroscopic granular flow behavior using discrete contact-dynamics simulations, centrifuge experiments, and continuum modeling

    NASA Astrophysics Data System (ADS)

    Reitz, Meredith; Stark, Colin; Hung, Chi-Yao; Smith, Breannan; Grinspin, Eitan; Capart, Herve; Li, Liming; Crone, Timothy; Hsu, Leslie; Ling, Hoe

    2014-05-01

    characterize both the convergence of these grain-scale parameters toward the empirical coefficients of the macroscopic descriptions, and the deviations from continuum model predictions caused by nonlocal granular effects for quantities such as erosion rate. We will also summarize the context and implications of our work for both granular physics theory and granular flow hazard risk assessment.

  19. Single macroscopic pillars as model system for bioinspired adhesives: influence of tip dimension, aspect ratio, and tilt angle.

    PubMed

    Micciché, Maurizio; Arzt, Eduard; Kroner, Elmar

    2014-05-28

    The goal of our study is to better understand the design parameters of bioinspired dry adhesives inspired by geckos. For this, we fabricated single macroscopic pillars of 400 μm diameter with different aspect ratios and different tip shapes (i.e., flat tips, spherical tips with different radii, and mushroom tips with different diameters). Tilt-angle-dependent adhesion measurements showed that although the tip shape of the pillars strongly influences the pull-off force, the pull-off strength is similar for flat and mushroom-shaped tips. We found no tilt-angle dependency of adhesion for spherical tip structures and, except for high tilt angle and low preload experiments, no tilt-angle effect for mushroom-tip pillars. For flat-tip pillars, we found a strong influence of tilt angle on adhesion, which decreased linearly with increasing aspect ratio. The experiments show that for the tested aspect ratios between 1 and 5, a linear decrease of tilt-angle dependency is found. The results of our studies will help to design bioinspired adhesives for application on smooth and rough surfaces.

  20. Effects of Pirfenidone and Collagen-Polyvinylpyrrolidone on Macroscopic and Microscopic Changes, TGF-β1 Expression, and Collagen Deposition in an Experimental Model of Tracheal Wound Healing

    PubMed Central

    Silva-Martínez, Mariana; Jasso-Victoria, Rogelio; Baltazares-Lipp, Matilde; Hernández-Jiménez, Claudia; Buendía-Roldan, Ivette; Jasso-Arenas, Jazmin; Martínez-Salas, Alan; Calyeca-Gómez, Jazmin; Guzmán-Cedillo, Axel E.; Gaxiola-Gaxiola, Miguel; Romero-Romero, Laura

    2017-01-01

    Tracheal stenosis (TS) is a fibrosis originated by prolonged inflammation and increased transforming growth factor beta 1 (TGF-β1) expression and collagen deposition (CD) in the tracheal wound. Several wound-healing modulators (WHMs) have been used to modulate the tracheal healing process and prevent TS, but they have failed, justifying the need to evaluate alternative WHM. The pirfenidone (PFD) and collagen-polyvinylpyrrolidone (Collagen-PVP) decrease inflammation and fibrosis. This study assessed the effect of PFD administration and Collagen-PVP topical application on macroscopic and microscopic changes, TGF-β1 expression, and CD in an experimental model of tracheal wound healing. Forty Wistar rats underwent cervical tracheoplasty, were divided into 4 groups (n = 10), and were treated with different WHM: group I, saline solution (SS); group II, Collagen-PVP; group III, mitomycin C (MMC); and group IV, 40 mg/kg PFD. Four weeks after surgery, the macroscopic and microscopic changes, in situ TGF-β1 expression, and CD in posttracheoplasty scars were evaluated. The animals treated with Collagen-PVP and PFD developed less inflammation and fibrosis than animals in the other study groups (p < 0.05, Kruskal-Wallis) and, moreover, showed lower TGF-β1 expression and CD than animals in group I (p < 0.05, ANOVA and Tukey's test). In conclusion, PFD and Collagen-PVP decrease inflammation, fibrosis, TGFβ-1 expression, and CD in the posttracheoplasty rats' scar. PMID:28584818

  1. Effects of Pirfenidone and Collagen-Polyvinylpyrrolidone on Macroscopic and Microscopic Changes, TGF-β1 Expression, and Collagen Deposition in an Experimental Model of Tracheal Wound Healing.

    PubMed

    Olmos-Zuñiga, J Raúl; Silva-Martínez, Mariana; Jasso-Victoria, Rogelio; Baltazares-Lipp, Matilde; Hernández-Jiménez, Claudia; Buendía-Roldan, Ivette; Jasso-Arenas, Jazmin; Martínez-Salas, Alan; Calyeca-Gómez, Jazmin; Guzmán-Cedillo, Axel E; Gaxiola-Gaxiola, Miguel; Romero-Romero, Laura

    2017-01-01

    Tracheal stenosis (TS) is a fibrosis originated by prolonged inflammation and increased transforming growth factor beta 1 (TGF-β1) expression and collagen deposition (CD) in the tracheal wound. Several wound-healing modulators (WHMs) have been used to modulate the tracheal healing process and prevent TS, but they have failed, justifying the need to evaluate alternative WHM. The pirfenidone (PFD) and collagen-polyvinylpyrrolidone (Collagen-PVP) decrease inflammation and fibrosis. This study assessed the effect of PFD administration and Collagen-PVP topical application on macroscopic and microscopic changes, TGF-β1 expression, and CD in an experimental model of tracheal wound healing. Forty Wistar rats underwent cervical tracheoplasty, were divided into 4 groups (n = 10), and were treated with different WHM: group I, saline solution (SS); group II, Collagen-PVP; group III, mitomycin C (MMC); and group IV, 40 mg/kg PFD. Four weeks after surgery, the macroscopic and microscopic changes, in situ TGF-β1 expression, and CD in posttracheoplasty scars were evaluated. The animals treated with Collagen-PVP and PFD developed less inflammation and fibrosis than animals in the other study groups (p < 0.05, Kruskal-Wallis) and, moreover, showed lower TGF-β1 expression and CD than animals in group I (p < 0.05, ANOVA and Tukey's test). In conclusion, PFD and Collagen-PVP decrease inflammation, fibrosis, TGFβ-1 expression, and CD in the posttracheoplasty rats' scar.

  2. A coupled geochemical and biogeochemical approach to characterize the bioreactivity of dissolved organic matter from a headwater stream

    NASA Astrophysics Data System (ADS)

    Sleighter, Rachel L.; Cory, Rose M.; Kaplan, Louis A.; Abdulla, Hussain A. N.; Hatcher, Patrick G.

    2014-08-01

    The bioreactivity or susceptibility of dissolved organic matter (DOM) to microbial degradation in streams and rivers is of critical importance to global change studies, but a comprehensive understanding of DOM bioreactivity has been elusive due, in part, to the stunningly diverse assemblages of organic molecules within DOM. We approach this problem by employing a range of techniques to characterize DOM as it flows through biofilm reactors: dissolved organic carbon (DOC) concentrations, excitation emission matrix spectroscopy (EEMs), and ultrahigh resolution mass spectrometry. The EEMs and mass spectral data were analyzed using a combination of multivariate statistical approaches. We found that 45% of stream water DOC was biodegraded by microorganisms, including 31-45% of the humic DOC. This bioreactive DOM separated into two different groups: (1) H/C centered at 1.5 with O/C 0.1-0.5 or (2) low H/C of 0.5-1.0 spanning O/C 0.2-0.7 that were positively correlated (Spearman ranking) with chromophoric and fluorescent DOM (CDOM and FDOM, respectively). DOM that was more recalcitrant and resistant to microbial degradation aligned tightly in the center of the van Krevelen space (H/C 1.0-1.5, O/C 0.25-0.6) and negatively correlated (Spearman ranking) with CDOM and FDOM. These findings were supported further by principal component analysis and 2-D correlation analysis of the relative magnitudes of the mass spectral peaks assigned to molecular formulas. This study demonstrates that our approach of processing stream water through bioreactors followed by EEMs and FTICR-MS analyses, in combination with multivariate statistical analysis, allows for precise, robust characterization of compound bioreactivity and associated molecular level composition.

  3. Variability in Bioreactivity Linked to Changes in Size and Zeta Potential of Diesel Exhaust Particles in Human Immune Cells

    PubMed Central

    Sarkar, Srijata; Zhang, Lin; Subramaniam, Prasad; Lee, Ki-Bum; Garfunkel, Eric; Strickland, Pamela A. Ohman.; Mainelis, Gediminas; Lioy, Paul J.; Tetley, Teresa D.; Chung, Kian Fan; Zhang, Junfeng; Ryan, Mary; Porter, Alex; Schwander, Stephan

    2014-01-01

    Acting as fuel combustion catalysts to increase fuel economy, cerium dioxide (ceria, CeO2) nanoparticles have been used in Europe as diesel fuel additives (Envirox™). We attempted to examine the effects of particles emitted from a diesel engine burning either diesel (diesel exhaust particles, DEP) or diesel doped with various concentrations of CeO2 (DEP-Env) on innate immune responses in THP-1 and primary human peripheral blood mononuclear cells (PBMC). Batches of DEP and DEP-Env were obtained on three separate occasions using identical collection and extraction protocols with the aim of determining the reproducibility of particles generated at different times. However, we observed significant differences in size and surface charge (zeta potential) of the DEP and DEP-Env across the three batches. We also observed that exposure of THP-1 cells and PBMC to identical concentrations of DEP and DEP-Env from the three batches resulted in statistically significant differences in bioreactivity as determined by IL-1β, TNF-α, IL-6, IFN-γ, and IL-12p40 mRNA (by qRT-PCR) and protein expression (by ELISPOT assays). Importantly, bioreactivity was noted in very tight ranges of DEP size (60 to 120 nm) and zeta potential (−37 to −41 mV). Thus, these physical properties of DEP and DEP-Env were found to be the primary determinants of the bioreactivity measured in this study. Our findings also point to the potential risk of over- or under- estimation of expected bioreactivity effects (and by inference of public health risks) from bulk DEP use without taking into account potential batch-to-batch variations in physical (and possibly chemical) properties. PMID:24825358

  4. Stocks and Distribution of Carbohydrates and the Bioreactivity of DOC Along Meridional Transects in the North Atlantic Basin

    NASA Astrophysics Data System (ADS)

    Goldberg, S. J.; Carlson, C. A.; Nelson, N. B.; Siegel, D. A.

    2004-12-01

    Oceanic dissolved organic carbon (DOC) demonstrates a broad range of bioreactivity with turnover rates ranging from seconds to millennia. While the majority of dissolved organic matter remains uncharacterized through current chemical analyses, the ratio of total hydrolyzable carbohydrate (TCHO) contribution to bulk DOC does provide insight into the bioreactivity of DOC (Cowie and Hedges, 1994). Here we present a high spatial resolution data set of TCHO, dissolved combined neutral sugars (DCNS) and the ratio of TCHO and DCNS to the bulk DOC pool over the surface 1000 m. The samples were collected during two meridional transects of the U.S. Repeat Hydrography Program conducted in the North Atlantic during the autumn of 2003. Vertically, the TCHO concentrations were highest in the surface 50 m and decreased over 1000 m. Meridionally, TCHO were most concentrated in subtropical and tropical latitude surface waters (15-19 μ M C) yet the ratio of TCHO:DOC in these waters decreased from 26% in the subtropical latitudes to < 21% in more permanently stratified regions. Such a trend indicates an overall decrease in the degree of bioreactivity of bulk DOC from 35° N to the south concomitant with increased stratification. Interestingly, the highest levels of bacterial productivity did not coincide with the regions of high TCHO:DOC. Because TCHO pool consists of hydrolyzed material that is both labile and recalcitrant in nature, use of the TCHO:DOC as an index bioreactivity reveals that the TCHO portion of the DOC pool is reactive on longer time scales than those used to support rapid and instantaneous heterotrophic bacterial production.

  5. Variability in bioreactivity linked to changes in size and zeta potential of diesel exhaust particles in human immune cells.

    PubMed

    Sarkar, Srijata; Zhang, Lin; Subramaniam, Prasad; Lee, Ki-Bum; Garfunkel, Eric; Strickland, Pamela A Ohman; Mainelis, Gediminas; Lioy, Paul J; Tetley, Teresa D; Chung, Kian Fan; Zhang, Junfeng; Ryan, Mary; Porter, Alex; Schwander, Stephan

    2014-01-01

    Acting as fuel combustion catalysts to increase fuel economy, cerium dioxide (ceria, CeO2) nanoparticles have been used in Europe as diesel fuel additives (Envirox™). We attempted to examine the effects of particles emitted from a diesel engine burning either diesel (diesel exhaust particles, DEP) or diesel doped with various concentrations of CeO2 (DEP-Env) on innate immune responses in THP-1 and primary human peripheral blood mononuclear cells (PBMC). Batches of DEP and DEP-Env were obtained on three separate occasions using identical collection and extraction protocols with the aim of determining the reproducibility of particles generated at different times. However, we observed significant differences in size and surface charge (zeta potential) of the DEP and DEP-Env across the three batches. We also observed that exposure of THP-1 cells and PBMC to identical concentrations of DEP and DEP-Env from the three batches resulted in statistically significant differences in bioreactivity as determined by IL-1β, TNF-α, IL-6, IFN-γ, and IL-12p40 mRNA (by qRT-PCR) and protein expression (by ELISPOT assays). Importantly, bioreactivity was noted in very tight ranges of DEP size (60 to 120 nm) and zeta potential (-37 to -41 mV). Thus, these physical properties of DEP and DEP-Env were found to be the primary determinants of the bioreactivity measured in this study. Our findings also point to the potential risk of over- or under- estimation of expected bioreactivity effects (and by inference of public health risks) from bulk DEP use without taking into account potential batch-to-batch variations in physical (and possibly chemical) properties.

  6. Molecular simulation and macroscopic modeling of the diffusion of hydrogen, carbon monoxide and water in heavy n-alkane mixtures.

    PubMed

    Makrodimitri, Zoi A; Unruh, Dominik J M; Economou, Ioannis G

    2012-03-28

    The self-diffusion coefficient of hydrogen (H(2)), carbon monoxide (CO) and water (H(2)O) in n-alkanes was studied by molecular dynamics simulation. Diffusion in a few pure n-alkanes (namely n-C(8), n-C(20), n-C(64) and n-C(96)) was examined. In addition, binary n-C(12)-n-C(96) mixtures with various compositions as well as more realistic five- and six-n-alkane component mixtures were simulated. In all cases, the TraPPE united atom force field was used for the n-alkane molecules. The force field for the mixture of n-alkanes was initially validated against experimental density values and was shown to be accurate. Moreover, macroscopic correlations for predicting diffusion coefficient of H(2), CO and H(2)O in n-alkanes and mixtures of n-alkanes were developed. The functional form of the correlation was based on the rough hard sphere theory (RHS). The correlation was applied to simulation data and an absolute average deviation (AAD) of 5.8% for pure n-alkanes and 3.4% for n-alkane mixtures was obtained. Correlation parameters vary in a systematic way with carbon number and so they can be used to provide predictions in the absence of any experimental or molecular simulation data. Finally, in order to reduce the number of adjustable parameters, for the n-alkane mixtures the "pseudo-carbon number" approach was used. This approach resulted in relatively higher deviation from MD simulation data (AAD of 18.2%); however, it provides a convenient and fast method to predict diffusion coefficients. The correlations developed here are expected to be useful for engineering calculations related to the design of the Gas-to-Liquid process.

  7. Interstellar simulations using a unified microscopic-macroscopic Monte Carlo model with a full gas-grain network including bulk diffusion in ice mantles

    SciTech Connect

    Chang, Qiang; Herbst, Eric

    2014-06-01

    We have designed an improved algorithm that enables us to simulate the chemistry of cold dense interstellar clouds with a full gas-grain reaction network. The chemistry is treated by a unified microscopic-macroscopic Monte Carlo approach that includes photon penetration and bulk diffusion. To determine the significance of these two processes, we simulate the chemistry with three different models. In Model 1, we use an exponential treatment to follow how photons penetrate and photodissociate ice species throughout the grain mantle. Moreover, the products of photodissociation are allowed to diffuse via bulk diffusion and react within the ice mantle. Model 2 is similar to Model 1 but with a slower bulk diffusion rate. A reference Model 0, which only allows photodissociation reactions to occur on the top two layers, is also simulated. Photodesorption is assumed to occur from the top two layers in all three models. We found that the abundances of major stable species in grain mantles do not differ much among these three models, and the results of our simulation for the abundances of these species agree well with observations. Likewise, the abundances of gas-phase species in the three models do not vary. However, the abundances of radicals in grain mantles can differ by up to two orders of magnitude depending upon the degree of photon penetration and the bulk diffusion of photodissociation products. We also found that complex molecules can be formed at temperatures as low as 10 K in all three models.

  8. Microscopic, Macroscopic, and Megascopic Melts: a simple model to synthesize simulation, spectroscopy, shock, and sink/float constraints on silicate melts and magma oceans

    NASA Astrophysics Data System (ADS)

    Asimow, P. D.; Thomas, C.; Wolf, A. S.

    2012-12-01

    Silicate melts are the essential agents of planetary differentiation and evolution. Their phase relations, element partitioning preferences, density, and transport properties determine the fates of heat and mass flow in the high-temperature interior of active planets. In the early Earth and in extrasolar super-Earth-mass terrestrial planets it is these properties at very high pressure (> 100 GPa) that control the evolution from possible magma oceans to solid-state convecting mantles. Yet these melts are complex, dynamic materials that present many challenges to experimental, theoretical, and computational understanding or prediction of their properties. There has been encouraging convergence among various approaches to understanding the structure and dynamics of silicate melts at multiple scales: nearest- and next-nearest neighbor structural information is derived from spectroscopic techniques such as high-resolution multinuclear NMR; first-principles molecular dynamics probe structure and dynamics at scales up to hundreds of atoms; Archimedean, ultrasonic, sink/float, and shock wave methods probe macroscopic properties (and occasionally dynamics); and deformation and diffusion experiments probe dynamics at macroscopic scale and various time scales. One challenge that remains to integrating all this information is a predictive model of silicate liquid structure that agrees with experiments and simulation both at microscopic and macroscopic scale. In addition to our efforts to collect macroscopic equation of state data using shock wave methods across ever-wider ranges of temperature, pressure, and composition space, we have introduced a simple model of coordination statistics around cations that can form the basis of a conceptual and predictive link across scales and methods. This idea is explored in this presentation specifically with regard to the temperature dependence of sound speed in ultramafic liquids. This is a highly uncertain quantity and yet it is key, in

  9. In-situ determination of macroscopic thermal neutron absorption cross-section of borehole model materials using the integrated flux method

    NASA Astrophysics Data System (ADS)

    Menn, Scott A.; Hall, Hugh E.

    1995-02-01

    The integrated thermal neutron flux method of determining the macroscopic thermal neutron absorption cross-section of samples consisting of approx. 400 kg of unconsolidated geologic material, saturated with fresh water, to be used in borehole models is reported. One advantage of this method is that bulk cross-section determinations are made relative to a single standard, with fresh (distilled) water being used as the standard in this work. The values of matrix Σ determined for unconsolidated sand, limestone, and dolomite for the particular samples measured fall within the range of previously reported measurements of similar type samples. The method was checked using 50,000 ppm NaCl for which a value of 39.1 ± 0.5 c.u. was determined.

  10. Macroscopic anisotropy in AA5019A sheets

    SciTech Connect

    Choi, S.H.; Brem, J.C.; Barlat, F.; Oh, K.H.

    2000-05-11

    The macroscopic anisotropy for typical texture components in aluminum alloys and AA5019A sheet samples (H48 and O temper conditions) were investigated. In order to simultaneously consider the effects of morphological texture and crystallographic texture on macroscopic anisotropy, predictions of plastic properties were carried out using a full-constraints Taylor model and a visco-plastic self-consistent (VPSC) polycrystal model. The yield stress and r-value (width-to-thickness plastic strain ratio in uniaxial tension) anisotropy predicted using the VPSC model were in good agreement with experimental data.

  11. Macroscopic dynamics of cancer growth

    NASA Astrophysics Data System (ADS)

    Menchón, S. A.; Condat, C. A.

    2007-04-01

    Macroscopic modeling is used to describe various aspects of cancer growth. A recently proposed “dysnamical exponent” hypothesis is critically examined in the context of the angiogenic development. It is also shown that the emergence of necroses facilitates the growth of avascular tumors; the model yields an excellent fit to available experimental data, allowing for the determination of growth parameters. Finally, the global effects of an applied antitumoral immunotherapy are investigated. It is shown that, in the long run, the application of a therapeutical course leads to bigger tumors by weakening the intraspecific competition between surviving viable cancer cells. The strength of this model lies in its simplicity and in the amount of information that can be gleaned using only very general ideas.

  12. Chemical composition and bioreactivity of PM2.5 during 2013 haze events in China

    NASA Astrophysics Data System (ADS)

    Ho, Kin-Fai; Ho, Steven Sai Hang; Huang, Ru-Jin; Chuang, Hsiao-Chi; Cao, Jun-Ji; Han, Yongming; Lui, Ka-Hei; Ning, Zhi; Chuang, Kai-Jen; Cheng, Tsun-Jen; Lee, Shun-Cheng; Hu, Di; Wang, Bei; Zhang, Renjian

    2016-02-01

    Chemical composition and bioreactivity of PM2.5 samples collected from Beijing (BJ), Xi'an (XA), Xiamen (XM) and Hong Kong (HK) in China during haze events were characterized. PM2.5 mass concentrations in BJ, XA, XM and HK in the episodes were found to be 258 ± 100 μg m-3, 233 ± 52 μg m-3, 46 ± 9 μg m-3 and 48 ± 13 μg m-3, respectively. Significant increase of sulfate, nitrate and ammonium concentrations in northern cities were observed. High contributions of biomass burning emissions to organic carbon (OC) in northern cities were estimated in this study implying frequent biomass burning during the haze periods. The urea concentrations in PM2.5 were 1855 ± 755 ng m-3 (BJ), 1124 ± 243 ng m-3 (XA), 543 ± 104 ng m-3 (XM) and 363 ± 61 ng m-3 (HK) suggesting higher or close to upper limits compared to other regions in the world. Dose-dependent alterations in oxidative potential, IL-6, IFN-γ and TNF-α levels were also investigated. The oxidative potential levels are BJ > XM > XA > HK, whereas levels of IL-6, IFN-γ and TNF-α were BJ > XA > XM > HK. The sulfate, nitrate, ammonium, OC, urea and levoglucosan are associated with oxidative-inflammatory responses. These experimental results are crucial for the policymakers to implement cost-effective abatement strategies for improving air quality.

  13. Entanglement in macroscopic systems

    NASA Astrophysics Data System (ADS)

    Sperling, J.; Walmsley, I. A.

    2017-06-01

    We present a theoretical study of entanglement in ensembles consisting of an arbitrary number of particles. Multipartite entanglement criteria in terms of observables are formulated for a fixed number of particles as well as for systems with a fluctuating particle number. To access the quality of the verified entanglement, the operational measure of the entanglement visibility is introduced. As an example, we perform an analytical characterization of quantum systems composed of interacting harmonic oscillators and witness the entanglement via energy measurements. Our analysis shows that the detectable entanglement decays for macroscopic particle numbers without the need for decoherence processes and for all considered coupling regimes. We further study thermal states of the given correlated system together with the temperature dependence of entanglement.

  14. Continuum cavity expansion and discrete micromechanical models for inferring macroscopic snow mechanical properties from cone penetration data

    NASA Astrophysics Data System (ADS)

    Ruiz, Siul; Capelli, Achille; van Herwijnen, Alec; Schneebeli, Martin; Or, Dani

    2017-08-01

    Digital cone penetration measurements can be used to infer snow mechanical properties, for instance, to study snow avalanche formation. The standard interpretation of these measurements is based on statistically inferred micromechanical interactions between snow microstructural elements and a well-calibrated penetrating cone. We propose an alternative continuum model to derive the modulus of elasticity and yield strength of snow based on the widely used cavity expansion model in soils. We compare results from these approaches based on laboratory cone penetration measurements in snow samples of different densities and structural sizes. Results suggest that the micromechanical model underestimates the snow elastic modulus for dense samples by 2 orders of magnitude. By comparison with the cavity expansion-based model, some of the discrepancy is attributed to low sensitivity of the micromechanical model to the snow elastic modulus. Reasons and implications of this discrepancy are discussed, and possibilities to enhance both methodologies are proposed.

  15. A macroscopic multi-mechanism based constitutive model for the thermo-mechanical cyclic degeneration of shape memory effect of NiTi shape memory alloy

    NASA Astrophysics Data System (ADS)

    Yu, Chao; Kang, Guozheng; Kan, Qianhua

    2017-01-01

    A macroscopic based multi-mechanism constitutive model is constructed in the framework of irreversible thermodynamics to describe the degeneration of shape memory effect occurring in the thermo-mechanical cyclic deformation of NiTi shape memory alloys (SMAs). Three phases, austenite A, twinned martensite Mt and detwinned martensite Md , as well as the phase transitions occurring between each pair of phases (A→ M t , Mt→ A , A→ M d , Md→ A , and Mt→ M d) are considered in the proposed model. Meanwhile, two kinds of inelastic deformation mechanisms, martensite transformation-induced plasticity and reorientation-induced plasticity, are used to explain the degeneration of shape memory effects of NiTi SMAs. The evolution equations of internal variables are proposed by attributing the degeneration of shape memory effect to the interaction between the three phases (A, Mt , and Md) and plastic deformation. Finally, the capability of the proposed model is verified by comparing the predictions with the experimental results of NiTi SMAs. It is shown that the degeneration of shape memory effect and its dependence on the loading level can be reasonably described by the proposed model.

  16. A macroscopic multi-mechanism based constitutive model for the thermo-mechanical cyclic degeneration of shape memory effect of NiTi shape memory alloy

    NASA Astrophysics Data System (ADS)

    Yu, Chao; Kang, Guozheng; Kan, Qianhua

    2017-06-01

    A macroscopic based multi-mechanism constitutive model is constructed in the framework of irreversible thermodynamics to describe the degeneration of shape memory effect occurring in the thermo-mechanical cyclic deformation of NiTi shape memory alloys (SMAs). Three phases, austenite A, twinned martensite Mt and detwinned martensite Md, as well as the phase transitions occurring between each pair of phases (A→ M t, Mt→ A, A→ M d, Md→ A, and Mt→ M d) are considered in the proposed model. Meanwhile, two kinds of inelastic deformation mechanisms, martensite transformation-induced plasticity and reorientation-induced plasticity, are used to explain the degeneration of shape memory effects of NiTi SMAs. The evolution equations of internal variables are proposed by attributing the degeneration of shape memory effect to the interaction between the three phases ( A, Mt, and Md) and plastic deformation. Finally, the capability of the proposed model is verified by comparing the predictions with the experimental results of NiTi SMAs. It is shown that the degeneration of shape memory effect and its dependence on the loading level can be reasonably described by the proposed model.

  17. Local realism of macroscopic correlations.

    PubMed

    Ramanathan, R; Paterek, T; Kay, A; Kurzyński, P; Kaszlikowski, D

    2011-08-05

    We identify conditions under which correlations resulting from quantum measurements performed on macroscopic systems (systems composed of a number of particles of the order of the Avogadro number) can be described by local realism. We argue that the emergence of local realism at the macroscopic level is caused by an interplay between the monogamous nature of quantum correlations and the fact that macroscopic measurements do not reveal properties of individual particles.

  18. Local Realism of Macroscopic Correlations

    NASA Astrophysics Data System (ADS)

    Ramanathan, R.; Paterek, T.; Kay, A.; Kurzyński, P.; Kaszlikowski, D.

    2011-08-01

    We identify conditions under which correlations resulting from quantum measurements performed on macroscopic systems (systems composed of a number of particles of the order of the Avogadro number) can be described by local realism. We argue that the emergence of local realism at the macroscopic level is caused by an interplay between the monogamous nature of quantum correlations and the fact that macroscopic measurements do not reveal properties of individual particles.

  19. A big-data model for multi-modal public transportation with application to macroscopic control and optimisation

    NASA Astrophysics Data System (ADS)

    Faizrahnemoon, Mahsa; Schlote, Arieh; Maggi, Lorenzo; Crisostomi, Emanuele; Shorten, Robert

    2015-11-01

    This paper describes a Markov-chain-based approach to modelling multi-modal transportation networks. An advantage of the model is the ability to accommodate complex dynamics and handle huge amounts of data. The transition matrix of the Markov chain is built and the model is validated using the data extracted from a traffic simulator. A realistic test-case using multi-modal data from the city of London is given to further support the ability of the proposed methodology to handle big quantities of data. Then, we use the Markov chain as a control tool to improve the overall efficiency of a transportation network, and some practical examples are described to illustrate the potentials of the approach.

  20. Stability of an overland flow scheme in the framework of a fully coupled eco-hydrological model based on the Macroscopic Cellular Automata approach

    NASA Astrophysics Data System (ADS)

    Mendicino, Giuseppe; Pedace, Jessica; Senatore, Alfonso

    2015-04-01

    Cellular Automata are often used for modeling the evolution in time of environmental systems mainly because they are directly compatible with parallel programming. Nevertheless, defining the optimal time step criterion for integrating forward in time numerical processes can further enhance model computational efficiency. To this aim, a numerical stability analysis of an original overland flow model, within the framework of a fully coupled eco-hydrological system based on the Macroscopic Cellular Automata paradigm, is performed. According to the other modules of the system describing soil water flow, soil-surface-atmosphere fluxes and vegetation dynamics, overland flow model equations were derived through a direct discrete formulation (i.e. no differential equations were discretized), adopting the diffusion wave model as an approximation of the full De Saint Venant equations and including the capability of accounting for specific processes, such as the increasing roughness effects due to vegetation growth or surface-soil water exchanges. Suitable formulations of robust tools usually applied in the stability analyses, such as Courant-Friedrichs-Lewy and von Neumann conditions, were initially derived for the CA-based overland flow model. Afterwards, the theoretical stability conditions were compared to experimental time step constraints through several numerical simulations of a 5-h rain event. Specifically, adopting a constant (i.e. not adaptive) time step for simulations, and discretizing head losses in a way that increases model stability, experimental upper limits preventing numerical instability were found for 13 test cases with different slopes, precipitation intensities, vegetation densities and depths of surface depressions. Even though von Neumann condition and experimental values were well positively correlated, the latter were almost always sensibly lower, excluding cases when free surface gradients tended to zero. Therefore, based on the original method

  1. The origin of soil organic matter dictates its composition and bioreactivity across a mesic boreal forest latitudinal gradient

    NASA Astrophysics Data System (ADS)

    Kohl, Lukas; Philben, Michael; Edwards, Kate A.; Podrebarac, Frances A.; Warren, Jamie; Ziegler, Susan E.

    2017-04-01

    Climate transect studies and soil warming experiments have shown that soil organic matter (SOM) formed under a warmer climate is typically more resistant to microbial decomposition, as indicated by lower decomposition rates at a given temperature (bioreactivity). However, it remains unclear how climate impacts SOM via its effect on vegetation and thus litter inputs to soils, or on decomposition and thus how SOM changes over time (diagenesis). We addressed this question by studying how the chemical and biological properties of SOM vary with decomposition (depth) and climate history (latitude) in mesic boreal forests of Atlantic Canada. SOM bioreactivity, measured in a 15-months decomposition experiment, decreased from cold to warm regions, and from the topmost (L) to the deepest horizon studied (H). The variations in SOM bioreactivity with climate history and depth, however, were associated with distinct parameters of SOM chemistry. More decomposed SOM with depth was associated with lower proportions of %N as total hydrolysable amino acids (THAA), and a different THAA-based degradation index signifying a more degraded state. However, SOM from the warmer region exhibited higher lignin to carbohydrate ratios, as detected by NMR. None of the measured parameters associated with regional differences in SOM chemistry increased with depth. Together, these results indicate that the regional differences in SOM chemistry and bioreactivity in these soils did not result from significant differences in the degree of degradation, but rather resulted from chemically distinct litter inputs. The comparison of SOM and plant litter chemistry allowed us to identify how climate affects litter inputs in these forests. Vascular plant litter collected in litter traps, unlike SOM, exhibited largely similar chemical composition across all transect regions. Litter traps, however, do not collect moss litter, which is chemically distinct from vascular plant litter. We, therefore, assessed the

  2. Including Thermal Fluctuations in Actomyosin Stable States Increases the Predicted Force per Motor and Macroscopic Efficiency in Muscle Modelling.

    PubMed

    Marcucci, Lorenzo; Washio, Takumi; Yanagida, Toshio

    2016-09-01

    Muscle contractions are generated by cyclical interactions of myosin heads with actin filaments to form the actomyosin complex. To simulate actomyosin complex stable states, mathematical models usually define an energy landscape with a corresponding number of wells. The jumps between these wells are defined through rate constants. Almost all previous models assign these wells an infinite sharpness by imposing a relatively simple expression for the detailed balance, i.e., the ratio of the rate constants depends exponentially on the sole myosin elastic energy. Physically, this assumption corresponds to neglecting thermal fluctuations in the actomyosin complex stable states. By comparing three mathematical models, we examine the extent to which this hypothesis affects muscle model predictions at the single cross-bridge, single fiber, and organ levels in a ceteris paribus analysis. We show that including fluctuations in stable states allows the lever arm of the myosin to easily and dynamically explore all possible minima in the energy landscape, generating several backward and forward jumps between states during the lifetime of the actomyosin complex, whereas the infinitely sharp minima case is characterized by fewer jumps between states. Moreover, the analysis predicts that thermal fluctuations enable a more efficient contraction mechanism, in which a higher force is sustained by fewer attached cross-bridges.

  3. Including Thermal Fluctuations in Actomyosin Stable States Increases the Predicted Force per Motor and Macroscopic Efficiency in Muscle Modelling

    PubMed Central

    2016-01-01

    Muscle contractions are generated by cyclical interactions of myosin heads with actin filaments to form the actomyosin complex. To simulate actomyosin complex stable states, mathematical models usually define an energy landscape with a corresponding number of wells. The jumps between these wells are defined through rate constants. Almost all previous models assign these wells an infinite sharpness by imposing a relatively simple expression for the detailed balance, i.e., the ratio of the rate constants depends exponentially on the sole myosin elastic energy. Physically, this assumption corresponds to neglecting thermal fluctuations in the actomyosin complex stable states. By comparing three mathematical models, we examine the extent to which this hypothesis affects muscle model predictions at the single cross-bridge, single fiber, and organ levels in a ceteris paribus analysis. We show that including fluctuations in stable states allows the lever arm of the myosin to easily and dynamically explore all possible minima in the energy landscape, generating several backward and forward jumps between states during the lifetime of the actomyosin complex, whereas the infinitely sharp minima case is characterized by fewer jumps between states. Moreover, the analysis predicts that thermal fluctuations enable a more efficient contraction mechanism, in which a higher force is sustained by fewer attached cross-bridges. PMID:27626630

  4. Size-dependent tuning of horseradish peroxidase bioreactivity by gold nanoparticles

    NASA Astrophysics Data System (ADS)

    Wu, Haohao; Liu, Yi; Li, Meng; Chong, Yu; Zeng, Mingyong; Lo, Y. Martin; Yin, Jun-Jie

    2015-02-01

    Molecules with diverse biological functions, such as heme peroxidases, can be useful tools for identifying potential biological effects of gold nanoparticles (AuNPs) at the molecular level. Here, using UV-Vis, circular dichroism, dynamic light scattering, and electron spin resonance spectroscopy, we report tuning of horseradish peroxidase (HRP) bioactivity by reactant-free AuNPs with diameters of 5, 10, 15, 30 and 60 nm (Au-5 nm, Au-10 nm, Au-15 nm, Au-30 nm and Au-60 nm). HRP conjugation to AuNPs was observed with only Au-5 nm and Au-10 nm prominently increasing the α-helicity of the enzyme to extents inversely related to their size. Au-5 nm inhibited both HRP peroxidase activity toward 3,3',5,5'-tetramethylbenzidine and HRP compound I/II reactivity toward 5,5-dimethyl-1-pyrroline N-oxide. Au-5 nm enhanced the HRP peroxidase activity toward ascorbic acid and the HRP compound I/II reactivity toward redox-active residues in the HRP protein moiety. Further, Au-5 nm also decreased the catalase- and oxidase-like activities of HRP. Au-10 nm showed similar, but weaker effects, while Au-15 nm, Au-30 nm and Au-60 nm had no effect. Results suggest that AuNPs can size-dependently enhance or inhibit HRP bioreactivity toward substrates with different redox potentials via a mechanism involving extension of the HRP substrate access channel and decline in the redox potentials of HRP catalytic intermediates.Molecules with diverse biological functions, such as heme peroxidases, can be useful tools for identifying potential biological effects of gold nanoparticles (AuNPs) at the molecular level. Here, using UV-Vis, circular dichroism, dynamic light scattering, and electron spin resonance spectroscopy, we report tuning of horseradish peroxidase (HRP) bioactivity by reactant-free AuNPs with diameters of 5, 10, 15, 30 and 60 nm (Au-5 nm, Au-10 nm, Au-15 nm, Au-30 nm and Au-60 nm). HRP conjugation to AuNPs was observed with only Au-5 nm and Au-10 nm prominently increasing the

  5. Evaluation of a laboratory-scale bioreactive in situ sediment cap for the treatment of organic contaminants.

    PubMed

    Himmelheber, David W; Pennell, Kurt D; Hughes, Joseph B

    2011-11-01

    The development of bioreactive sediment caps, in which microorganisms capable of contaminant transformation are placed within an in situ cap, provides a potential remedial design that can sustainably treat sediment and groundwater contaminants. The goal of this study was to evaluate the ability and limitations of a mixed, anaerobic dechlorinating consortium to treat chlorinated ethenes within a sand-based cap. Results of batch experiments demonstrate that a tetrachloroethene (PCE)-to-ethene mixed consortium was able to completely dechlorinate dissolved-phase PCE to ethene when supplied only with sediment porewater obtained from a sediment column. To simulate a bioreactive cap, laboratory-scale sand columns inoculated with the mixed culture were placed in series with an upflow sediment column and directly supplied sediment effluent and dissolved-phase chlorinated ethenes. The mixed consortium was not able to sustain dechlorination activity at a retention time of 0.5 days without delivery of amendments to the sediment effluent, evidenced by the loss of cis-1,2-dichloroethene (cis-DCE) dechlorination to vinyl chloride. When soluble electron donor was supplied to the sediment effluent, complete dechlorination of cis-DCE to ethene was observed at retention times of 0.5 days, suggesting that sediment effluent lacked sufficient electron donor to maintain active dechlorination within the sediment cap. Introduction of elevated contaminant concentrations also limited biotransformation performance of the dechlorinating consortium within the cap. These findings indicate that in situ bioreactive capping can be a feasible remedial approach, provided that residence times are adequate and that appropriate levels of electron donor and contaminant exist within the cap.

  6. Evaluation of a Laboratory-Scale Bioreactive In Situ Sediment Cap for the Treatment of Organic Contaminants

    PubMed Central

    Himmelheber, David W.; Pennell, Kurt D.; Hughes, Joseph B.

    2011-01-01

    The development of bioreactive sediment caps, in which microorganisms capable of contaminant transformation are placed within an in situ cap, provides a potential remedial design that can sustainably treat sediment and groundwater contaminants. The goal of this study was to evaluate the ability and limitations of a mixed, anaerobic dechlorinating consortium to treat chlorinated ethenes within a sand-based cap. Results of batch experiments demonstrate that a tetrachloroethene (PCE)-to-ethene mixed consortium was able to completely dechlorinate dissolved-phase PCE to ethene when supplied only with sediment porewater obtained from a sediment column. To simulate a bioreactive cap, laboratory-scale sand columns inoculated with the mixed culture were placed in series with an upflow sediment column and directly supplied sediment effluent and dissolved-phase chlorinated ethenes. The mixed consortium was not able to sustain dechlorination activity at a retention time of 0.5 days without delivery of amendments to the sediment effluent, evidenced by the loss of cis-1,2-dichloroethene (cis-DCE) dechlorination to vinyl chloride. When soluble electron donor was supplied to the sediment effluent, complete dechlorination of cis-DCE to ethene was observed at retention times of 0.5 days, suggesting that sediment effluent lacked sufficient electron donor to maintain active dechlorination within the sediment cap. Introduction of elevated contaminant concentrations also limited biotransformation performance of the dechlorinating consortium within the cap. These findings indicate that in situ bioreactive capping can be a feasible remedial approach, provided that residence times are adequate and that appropriate levels of electron donor and contaminant exist within the cap. PMID:21872291

  7. Size-dependent tuning of horseradish peroxidase bioreactivity by gold nanoparticles.

    PubMed

    Wu, Haohao; Liu, Yi; Li, Meng; Chong, Yu; Zeng, Mingyong; Lo, Y Martin; Yin, Jun-Jie

    2015-03-14

    Molecules with diverse biological functions, such as heme peroxidases, can be useful tools for identifying potential biological effects of gold nanoparticles (AuNPs) at the molecular level. Here, using UV-Vis, circular dichroism, dynamic light scattering, and electron spin resonance spectroscopy, we report tuning of horseradish peroxidase (HRP) bioactivity by reactant-free AuNPs with diameters of 5, 10, 15, 30 and 60 nm (Au-5 nm, Au-10 nm, Au-15 nm, Au-30 nm and Au-60 nm). HRP conjugation to AuNPs was observed with only Au-5 nm and Au-10 nm prominently increasing the α-helicity of the enzyme to extents inversely related to their size. Au-5 nm inhibited both HRP peroxidase activity toward 3,3',5,5'-tetramethylbenzidine and HRP compound I/II reactivity toward 5,5-dimethyl-1-pyrroline N-oxide. Au-5 nm enhanced the HRP peroxidase activity toward ascorbic acid and the HRP compound I/II reactivity toward redox-active residues in the HRP protein moiety. Further, Au-5 nm also decreased the catalase- and oxidase-like activities of HRP. Au-10 nm showed similar, but weaker effects, while Au-15 nm, Au-30 nm and Au-60 nm had no effect. Results suggest that AuNPs can size-dependently enhance or inhibit HRP bioreactivity toward substrates with different redox potentials via a mechanism involving extension of the HRP substrate access channel and decline in the redox potentials of HRP catalytic intermediates.

  8. Nonlinear effects of microtopography on macroscopic rainfall-runoff partitioning a the hillslope scale: a modelling study

    NASA Astrophysics Data System (ADS)

    Caviedes-Voullième, Daniel; Domin, Andrea; Hinz, Christoph

    2017-04-01

    The quantitative description and prediction of hydrological response of hillslopes or hillslope-scale catchments to rainfall events is becoming evermore relevant. At the hillslope scale, the onset of runoff and the overall rainfall-runoff transformation are controlled by multiple interacting small-scale processes, that, when acting together produce a response described in terms of hydrological variables well-defined at the catchment and hillslope scales. We hypothesize that small scale features such microtopography of the land surface will will govern large scale signatures of temporal runoff evolution. This can be tested directly by numerical modelling of well-defined surface geometries and adequate process description. It requires a modelling approach consistent with fundamental fluid mechanics, well-designed numerical methods, and computational efficiency. In this work, an idealized rectangular domain representing a hillslope with an idealized 2D sinusoidal microtopography is studied by simulating surface water redistribution by means of a 2D diffusive-wave (zero-inertia) shallow water model. By studying more than 500 surfaces and performing extensive sensitivity analysis forced by a single rainfall pulse, the dependency of characteristic hydrological responses to microtopographical properties was assessed. Despite of the simplicity of periodic surface and the rain event, results indicate complex surface flow dynamics during the onset of runoff observed at the macro and micro scales. Macro scale regimes were defined in terms of characteristics hydrograph shapes and those were related to surface geometry. The reference regime was defined for smooth topography and consisted of a simple hydrograph with smoothly rising and falling limbs with an intermediate steady state. In constrast, rough surface geometry yields stepwise rising limbs and shorter steady states. Furthermore, the increase in total infiltration over the whole domain relative to the smooth reference

  9. Macroscopic fluorescence imaging: a novel technique to monitor retention and distribution of injected microspheres in an experimental model of ischemic heart failure.

    PubMed

    Martens, Andreas; Rojas, Sebastian V; Baraki, Hassina; Rathert, Christian; Schecker, Natalie; Hernandez, Sara Rojas; Schwanke, Kristin; Zweigerdt, Robert; Martin, Ulrich; Saito, Shunsuke; Haverich, Axel; Kutschka, Ingo

    2014-01-01

    The limited effectiveness of cardiac cell therapy has generated concern regarding its clinical relevance. Experimental studies show that cell retention and engraftment are low after injection into ischemic myocardium, which may restrict therapy effectiveness significantly. Surgical aspects and mechanical loss are suspected to be the main culprits behind this phenomenon. As current techniques of monitoring intramyocardial injections are complex and time-consuming, the aim of the study was to develop a fast and simple model to study cardiac retention and distribution following intramyocardial injections. For this purpose, our main hypothesis was that macroscopic fluorescence imaging could adequately serve as a detection method for intramyocardial injections. A total of 20 mice underwent ligation of the left anterior descending artery (LAD) for myocardial infarction. Fluorescent microspheres with cellular dimensions were used as cell surrogates. Particles (5 × 10(5)) were injected into the infarcted area of explanted resting hearts (Ex vivo myocardial injetions EVMI, n = 10) and in vivo into beating hearts (In vivo myocardial injections IVMI, n = 10). Microsphere quantification was performed by fluorescence imaging of explanted organs. Measurements were repeated after a reduction to homogenate dilutions. Cardiac microsphere retention was 2.78 × 10(5) ± 0.31 × 10(5) in the EVMI group. In the IVMI group, cardiac retention of microspheres was significantly lower (0.74 × 10(5) ± 0.18 × 10(5); p<0.05). Direct fluorescence imaging revealed venous drainage through the coronary sinus, resulting in a microsphere accumulation in the left (0.90 × 10(5) ± 0.20 × 10(5)) and the right (1.07 × 10(5) ± 0.17 × 10(5)) lung. Processing to homogenates involved further particle loss (p<0.05) in both groups. We developed a fast and simple direct fluorescence imaging method for biodistribution analysis which enabled the quantification of fluorescent microspheres after

  10. Macroscopic Fluorescence Imaging: A Novel Technique to Monitor Retention and Distribution of Injected Microspheres in an Experimental Model of Ischemic Heart Failure

    PubMed Central

    Baraki, Hassina; Rathert, Christian; Schecker, Natalie; Hernandez, Sara Rojas; Schwanke, Kristin; Zweigerdt, Robert; Martin, Ulrich; Saito, Shunsuke; Haverich, Axel; Kutschka, Ingo

    2014-01-01

    Background The limited effectiveness of cardiac cell therapy has generated concern regarding its clinical relevance. Experimental studies show that cell retention and engraftment are low after injection into ischemic myocardium, which may restrict therapy effectiveness significantly. Surgical aspects and mechanical loss are suspected to be the main culprits behind this phenomenon. As current techniques of monitoring intramyocardial injections are complex and time-consuming, the aim of the study was to develop a fast and simple model to study cardiac retention and distribution following intramyocardial injections. For this purpose, our main hypothesis was that macroscopic fluorescence imaging could adequately serve as a detection method for intramyocardial injections. Methods and Results A total of 20 mice underwent ligation of the left anterior descending artery (LAD) for myocardial infarction. Fluorescent microspheres with cellular dimensions were used as cell surrogates. Particles (5×105) were injected into the infarcted area of explanted resting hearts (Ex vivo myocardial injetions EVMI, n = 10) and in vivo into beating hearts (In vivo myocardial injections IVMI, n = 10). Microsphere quantification was performed by fluorescence imaging of explanted organs. Measurements were repeated after a reduction to homogenate dilutions. Cardiac microsphere retention was 2.78×105±0.31×105 in the EVMI group. In the IVMI group, cardiac retention of microspheres was significantly lower (0.74×105±0.18×105; p<0.05). Direct fluorescence imaging revealed venous drainage through the coronary sinus, resulting in a microsphere accumulation in the left (0.90×105±0.20×105) and the right (1.07×105±0.17×105) lung. Processing to homogenates involved further particle loss (p<0.05) in both groups. Conclusions We developed a fast and simple direct fluorescence imaging method for biodistribution analysis which enabled the quantification of fluorescent microspheres after

  11. Linking microscopic spatial patterns of tissue destruction in emphysema to macroscopic decline in stiffness using a 3D computational model.

    PubMed

    Parameswaran, Harikrishnan; Majumdar, Arnab; Suki, Béla

    2011-04-01

    Pulmonary emphysema is a connective tissue disease characterized by the progressive destruction of alveolar walls leading to airspace enlargement and decreased elastic recoil of the lung. However, the relationship between microscopic tissue structure and decline in stiffness of the lung is not well understood. In this study, we developed a 3D computational model of lung tissue in which a pre-strained cuboidal block of tissue was represented by a tessellation of space filling polyhedra, with each polyhedral unit-cell representing an alveolus. Destruction of alveolar walls was mimicked by eliminating faces that separate two polyhedral either randomly or in a spatially correlated manner, in which the highest force bearing walls were removed at each step. Simulations were carried out to establish a link between the geometries that emerged and the rate of decline in bulk modulus of the tissue block. The spatially correlated process set up by the force-based destruction lead to a significantly faster rate of decline in bulk modulus accompanied by highly heterogeneous structures than the random destruction pattern. Using the Karhunen-Loève transformation, an estimator of the change in bulk modulus from the first four moments of airspace cell volumes was setup. Simulations were then obtained for tissue destruction with different idealized alveolar geometry, levels of pre-strain, linear and nonlinear elasticity assumptions for alveolar walls and also mixed destruction patterns where both random and force-based destruction occurs simultaneously. In all these cases, the change in bulk modulus from cell volumes was accurately estimated. We conclude that microscopic structural changes in emphysema and the associated decline in tissue stiffness are linked by the spatial pattern of the destruction process.

  12. Development and Characterization of a Rate-Dependent Three-Dimensional Macroscopic Plasticity Model Suitable for Use in Composite Impact Problems

    NASA Technical Reports Server (NTRS)

    Goldberg, Robert K.; Carney, Kelly S.; DuBois, Paul; Hoffarth, Canio; Rajan, Subramaniam; Blankenhorn, Gunther

    2015-01-01

    Several key capabilities have been identified by the aerospace community as lacking in the material/models for composite materials currently available within commercial transient dynamic finite element codes such as LS-DYNA. Some of the specific desired features that have been identified include the incorporation of both plasticity and damage within the material model, the capability of using the material model to analyze the response of both three-dimensional solid elements and two dimensional shell elements, and the ability to simulate the response of composites composed with a variety of composite architectures, including laminates, weaves and braids. In addition, a need has been expressed to have a material model that utilizes tabulated experimentally based input to define the evolution of plasticity and damage as opposed to utilizing discrete input parameters (such as modulus and strength) and analytical functions based on curve fitting. To begin to address these needs, an orthotropic macroscopic plasticity based model suitable for implementation within LS-DYNA has been developed. Specifically, the Tsai-Wu composite failure model has been generalized and extended to a strain-hardening based orthotropic plasticity model with a non-associative flow rule. The coefficients in the yield function are determined based on tabulated stress-strain curves in the various normal and shear directions, along with selected off-axis curves. Incorporating rate dependence into the yield function is achieved by using a series of tabluated input curves, each at a different constant strain rate. The non-associative flow-rule is used to compute the evolution of the effective plastic strain. Systematic procedures have been developed to determine the values of the various coefficients in the yield function and the flow rule based on the tabulated input data. An algorithm based on the radial return method has been developed to facilitate the numerical implementation of the material

  13. The bioreactivity of the sub-10 μm component of volcanic ash: Soufrière Hills volcano, Montserrat.

    PubMed

    Jones, Timothy; Bérubé, Kelly

    2011-10-30

    With the recent eruption of the Icelandic volcano Eyafallajökull and resulting ash cloud over much of Europe there was considerable concern about possible respiratory hazards. Volcanic ash can contain minerals that are known human respiratory health hazards such as cristobalite. Short-term ash exposures can cause skin sores, respiratory and ocular irritations and exacerbation of pre-existing lung conditions such as asthma. Long-term occupational level exposures to crystalline silicon dioxide can cause lung inflammation, oedema, fibrosis and cancer. The potential health effects would be dependent on factors including mineralogy, surface chemistry, size, and levels and duration of exposure. Bulk ash from the Soufrière Hills volcano was sourced and inhalable (<2.5 μm) ash samples prepared and physicochemically characterised. The fine ash samples were tested for bioreactivity by SDS-PAGE which determined the strength of binding between mineral grains and lung proteins. Selected proteins bound tightly to cristobalite, and bound loosely to other ash components. A positive correlation was seen between the amount of SiO(2) in the sample and the strength of the binding. The strength of binding is a function of the mineral's bioreactivity, and therefore, a potential geo-biomarker of respiratory risk.

  14. Lozenge Tilings, Glauber Dynamics and Macroscopic Shape

    NASA Astrophysics Data System (ADS)

    Laslier, Benoît; Toninelli, Fabio Lucio

    2015-09-01

    We study the Glauber dynamics on the set of tilings of a finite domain of the plane with lozenges of side 1/ L. Under the invariant measure of the process (the uniform measure over all tilings), it is well known (Cohn et al. J Am Math Soc 14:297-346, 2001) that the random height function associated to the tiling converges in probability, in the scaling limit , to a non-trivial macroscopic shape minimizing a certain surface tension functional. According to the boundary conditions, the macroscopic shape can be either analytic or contain "frozen regions" (Arctic Circle phenomenon Cohn et al. N Y J Math 4:137-165, 1998; Jockusch et al. Random domino tilings and the arctic circle theorem, arXiv:math/9801068, 1998). It is widely conjectured, on the basis of theoretical considerations (Henley J Statist Phys 89:483-507, 1997; Spohn J Stat Phys 71:1081-1132, 1993), partial mathematical results (Caputo et al. Commun Math Phys 311:157-189, 2012; Wilson Ann Appl Probab 14:274-325, 2004) and numerical simulations for similar models (Destainville Phys Rev Lett 88:030601, 2002; cf. also the bibliography in Henley (J Statist Phys 89:483-507, 1997) and Wilson (Ann Appl Probab 14:274-325, 2004), that the Glauber dynamics approaches the equilibrium macroscopic shape in a time of order L 2+ o(1). In this work we prove this conjecture, under the assumption that the macroscopic equilibrium shape contains no "frozen region".

  15. Model-independent link between the macroscopic and microscopic descriptions of multidentate macromolecular binding: relationship between stepwise, intrinsic, and microscopic equilibrium constants.

    PubMed

    Lluís Garcés, Josep; Rey-Castro, Carlos; David, Calin; Madurga, Sergio; Mas, Francesc; Pastor, Isabel; Puy, Jaume

    2009-11-19

    The binding of ions or other small molecules to macromolecules and surfaces can be macroscopically characterized by means of the stepwise (or stoichiometric) equilibrium constants, which can be obtained experimentally from coverage versus concentration data. The present work presents a novel, simple, and direct interpretation of the stepwise constants in terms of the microscopic, site-specific, stability constants. This formalism can be applied to the most general case, including the heterogeneity of the sites, interactions among them, multicomponent adsorption, and so forth, and, in particular, to chelate complexation. We show that the stepwise equilibrium constants can be expressed as a product of two factors, (i) the average number of free potential sites (per bound ion) of the microscopic species to be complexed (stoichiometric factor) and (ii) the average of the microscopic stability constants of their free potential sites. The latter factor generalizes the concept of the intrinsic equilibrium constant to systems with chelate complexation and reduces to the standard definition for monodentate binding. However, in the case of heterogeneous multidentate complexation, the stoichiometric factor cannot be known a priori, so that the finding of the intrinsic constants is not trivial. One option is to approximate the stoichiometric factor by the value that would correspond to identical active centers. We investigate the accuracy of this assumption by comparing the resulting approximate intrinsic constants to those obtained by Monte Carlo simulation of several binding models. For the cases investigated, it is found that the assumption is quite accurate when no correlated structures (typical of short-range interactions) are formed along the chain. For adsorption of particles attached to a large number of active centers, the formalism presented here leads to the Widom particle insertion method.

  16. Using Fluorescence to Determine the Fate and Bio-reactivity of Dissolved and Particulate Organic Nitrogen in the Neuse River Estuary, North Carolina, USA

    NASA Astrophysics Data System (ADS)

    Hounshell, A.; Peierls, B. L.; Paerl, H. W.; Osburn, C. L.; Abare, B.

    2016-02-01

    Both terrestrial and autochthonous organic matter in estuarine ecosystems have received increased attention as potential substrates for microbial metabolism and nutrient sources for supporting phytoplankton production, particularly as nitrogen (N) sources in these N-sensitive systems. The fate and bio-reactivity of organic matter within the Neuse River Estuary, North Carolina, USA was examined during nutrient addition bioassays in summer and fall 2014 and summer 2015. In addition to inorganic nutrient additions, the tested terrestrial organic matter sources included river dissolved organic matter, poultry litter extract, and wastewater treatment effluent. Using excitation emission matrices (EEMs) and parallel factor analysis (PARAFAC), identified fluorescent signatures for both dissolved and particulate organic matter were used as a proxy for organic nitrogen. Separate PARAFAC models based on particulate plus dissolved and dissolved organic matter only were generated using bioassay samples. Components identified in each model showed similarities to modeled components previously generated from in situ Neuse River Estuary samples, although some components were unique indicating potential differences in production and degradation pathways in the experimental system. By correlating the modeled fluorescent signatures with other biogeochemical parameters, including phytoplankton production and biomass, the role of organic matter, specifically organic N, in sustaining primary production and nutrient cycling was explored. Preliminary results indicate in situ autochthonous production of organic matter fluorescence due to both phytoplankton and bacterial production and potential biologic degradation of several fluorescent components identified by PARAFAC. The hypothesized results have important implications for managing organic matter (specifically organic N) loading to N-sensitive estuaries downstream from watersheds undergoing rapid agricultural and urban expansion.

  17. Are cloned quantum states macroscopic?

    PubMed

    Fröwis, F; Dür, W

    2012-10-26

    We study quantum states produced by optimal phase covariant quantum cloners. We argue that cloned quantum superpositions are not macroscopic superpositions in the spirit of Schrödinger's cat, despite their large particle number. This is indicated by calculating several measures for macroscopic superpositions from the literature, as well as by investigating the distinguishability of the two superposed cloned states. The latter rapidly diminishes when considering imperfect detectors or noisy states and does not increase with the system size. In contrast, we find that cloned quantum states themselves are macroscopic, in the sense of both proposed measures and their usefulness in quantum metrology with an optimal scaling in system size. We investigate the applicability of cloned states for parameter estimation in the presence of different kinds of noise.

  18. The origin of soil organic matter controls its composition and bioreactivity across a mesic boreal forest latitudinal gradient.

    PubMed

    Kohl, Lukas; Philben, Michael; Edwards, Kate A; Podrebarac, Frances A; Warren, Jamie; Ziegler, Susan E

    2017-09-04

    Warmer climates have been associated with reduced bioreactivity of soil organic matter (SOM) typically attributed to increased diagenesis; the combined biological and physiochemical transformation of SOM. In addition, cross-site studies have indicated that ecosystem regime shifts, associated with long-term climate warming, can affect SOM properties through changes in vegetation and plant litter production thereby altering the composition of soil inputs. The relative importance of these two controls, diagenesis and inputs, on SOM properties as ecosystems experience climate warming, however, remains poorly understood. To address this issue we characterized the elemental, chemical (nuclear magnetic resonance spectroscopy and total hydrolysable amino acids analysis), and isotopic composition of plant litter and SOM across a well-constrained mesic boreal forest latitudinal transect in Atlantic Canada. Results across forest sites within each of three climate regions indicated that (1) climate history and diagenesis affect distinct parameters of SOM chemistry, (2) increases in SOM bioreactivity with latitude were associated with elevated proportions of carbohydrates relative to plant waxes and lignin, and (3) despite the common forest type across regions, differences in SOM chemistry by climate region were associated with chemically distinct litter inputs and not different degrees of diagenesis. The observed climate effects on vascular plant litter chemistry, however, explained only part of the regional differences in SOM chemistry, most notably the higher protein content of SOM from warmer regions. Greater proportions of lignin and aliphatic compounds and smaller proportions of carbohydrates in warmer sites' soils were explained by the higher proportion of vascular plant relative to moss litter in the warmer relative to cooler forests. These results indicate that climate change induced decreases in the proportion of moss inputs not only impacts SOM chemistry but also

  19. Percolation and hysteresis in macroscopic capillarity

    NASA Astrophysics Data System (ADS)

    Hilfer, Rudolf

    2010-05-01

    The concepts of relative permeability and capillary pressure are crucial for the accepted traditional theory of two phase flow in porous media. Recently a theoretical approach was introduced that does not require these concepts as input [1][2][3]. Instead it was based on the concept of hydraulic percolation of fluid phases. The presentation will describe this novel approach. It allows to simulate processes with simultaneous occurence of drainage and imbibition. Furthermore, it predicts residual saturations and their spatiotemporal changes during two phase immiscible displacement [1][2][3][4][5]. [1] R. Hilfer. Capillary Pressure, Hysteresis and Residual Saturation in Porous Media, Physica A, vol. 359, pp. 119, 2006. [2] R. Hilfer. Macroscopic Capillarity and Hysteresis for Flow in Porous Media, Physical Review E, vol. 73, pp. 016307, 2006. [3] R. Hilfer. Macroscopic capillarity without a constitutive capillary pressure function, Physica A, vol. 371, pp. 209, 2006. [4] R. Hilfer. Modeling and Simulation of Macrocapillarity, in: P. Garrido et al. (eds.) Modeling and Simulation of Materials vol. CP1091, pp. 141, American Institute of Physcis, New York, 2009. [5] R. Hilfer and F. Doster. Percolation as a basic concept for macroscopic capillarity, Transport in Porous Media, DOI 10.1007/s11242-009-9395-0, in print, 2009.

  20. Macroscopic theory of dark sector

    NASA Astrophysics Data System (ADS)

    Meierovich, Boris

    A simple Lagrangian with squared covariant divergence of a vector field as a kinetic term turned out an adequate tool for macroscopic description of the dark sector. The zero-mass field acts as the dark energy. Its energy-momentum tensor is a simple additive to the cosmological constant [1]. Space-like and time-like massive vector fields describe two different forms of dark matter. The space-like massive vector field is attractive. It is responsible for the observed plateau in galaxy rotation curves [2]. The time-like massive field displays repulsive elasticity. In balance with dark energy and ordinary matter it provides a four parametric diversity of regular solutions of the Einstein equations describing different possible cosmological and oscillating non-singular scenarios of evolution of the universe [3]. In particular, the singular big bang turns into a regular inflation-like transition from contraction to expansion with the accelerate expansion at late times. The fine-tuned Friedman-Robertson-Walker singular solution corresponds to the particular limiting case at the boundary of existence of regular oscillating solutions in the absence of vector fields. The simplicity of the general covariant expression for the energy-momentum tensor allows to analyse the main properties of the dark sector analytically and avoid unnecessary model assumptions. It opens a possibility to trace how the additional attraction of the space-like dark matter, dominating in the galaxy scale, transforms into the elastic repulsion of the time-like dark matter, dominating in the scale of the Universe. 1. B. E. Meierovich. "Vector fields in multidimensional cosmology". Phys. Rev. D 84, 064037 (2011). 2. B. E. Meierovich. "Galaxy rotation curves driven by massive vector fields: Key to the theory of the dark sector". Phys. Rev. D 87, 103510, (2013). 3. B. E. Meierovich. "Towards the theory of the evolution of the Universe". Phys. Rev. D 85, 123544 (2012).

  1. Harnessing Macroscopic Forces in Catalysis

    DTIC Science & Technology

    2009-11-09

    that macroscopic deformation of an elastomeric support could result in molecular deformation of embedded, stress-bearing catalysts and influence their... elastomeric support could result in molecular deformation of embedded, stress-bearing catalysts and influence their reactivity. The focus was on the...a mechanocatalyst. Our Specific Aims were: Specific Aim 1. Synthesize elastomeric organogels and bulk rubbers with embedded, stress-bearing

  2. Hydrodynamics of Moving Contact Lines: Macroscopic versus Microscopic.

    PubMed

    Lukyanov, Alex V; Pryer, Tristan

    2017-08-29

    The fluid-mechanics community is currently divided in assessing the boundaries of applicability of the macroscopic approach to fluid mechanical problems. Can the dynamics of nanodroplets be described by the same macroscopic equations as are used for macrodroplets? To the greatest degree, this question should be addressed to the moving-contact-line problem. The problem is naturally multiscale, where even using slip boundary conditions results in spurious numerical solutions and transcendental stagnation regions in modeling in the vicinity of the contact line. In this article, it is demonstrated through mutual comparisons between macroscopic modeling and molecular dynamics simulations that a small, albeit natural, change in the boundary conditions is all that is necessary to completely regularize the problem and eliminate these nonphysical effects. The limits of the macroscopic approach applied to the moving-contact-line problem have been tested and validated on the basis of microscopic first-principles molecular dynamics simulations.

  3. Chaotic macroscopic phases in one-dimensional oscillators

    NASA Astrophysics Data System (ADS)

    Politi, Antonio; Pikovsky, Arkady; Ullner, Ekkehard

    2017-06-01

    The connection between the macroscopic description of collective chaos and the underlying microscopic dynamics is thoroughly analysed in mean-field models of one-dimensional oscillators. We investigate to what extent infinitesimal perturbations of the microscopic configurations can provide information also on the stability of the corresponding macroscopic phase. In ensembles of identical one-dimensional dynamical units, it is possible to represent the microscopic configurations so as to make transparent their connection with the macroscopic world. As a result, we find evidence of an intermediate, mesoscopic, range of distances, over which the instability is neither controlled by the microscopic equations nor by the macroscopic ones. We examine a whole series of indicators, ranging from the usual microscopic Lyapunov exponents, to the collective ones, including finite-amplitude exponents. A system of pulse-coupled oscillators is also briefly reviewed as an example of non-identical phase oscillators where collective chaos spontaneously emerges.

  4. Characterization of chemical components and bioreactivity of fine particulate matter (PM2.5) during incense burning.

    PubMed

    Lui, K H; Bandowe, Benjamin A Musa; Ho, Steven Sai Hang; Chuang, Hsiao-Chi; Cao, Jun-Ji; Chuang, Kai-Jen; Lee, S C; Hu, Di; Ho, K F

    2016-06-01

    The chemical and bioreactivity properties of fine particulate matter (PM2.5) emitted during controlled burning of different brands of incense were characterized. Incenses marketed as being environmentally friendly emitted lower mass of PM2.5 particulates than did traditional incenses. However, the environmentally friendly incenses produced higher total concentrations of non-volatile polycyclic aromatic hydrocarbons (PAHs) and some oxygenated polycyclic aromatic hydrocarbons (OPAHs). Human alveolar epithelial A549 cells were exposed to the collected PM2.5, followed by determining oxidative stress and inflammation. There was moderate to strong positive correlation (R > 0.60, p < 0.05) between selected PAHs and OPAHs against oxidative-inflammatory responses. Strong positive correlation was observed between interleukin 6 (IL-6) and summation of total Group B2 PAHs/OPAHs (∑7PAHs/ΣOPAHs). The experimental data indicate that emissions from the environmentally friendly incenses contained higher concentrations of several PAH and OPAH compounds than did traditional incense. Moreover, these PAHs and OPAHs were strongly correlated with inflammatory responses. The findings suggest a need to revise existing regulation of such products.

  5. Macroscopic quantum electrodynamics and duality.

    PubMed

    Buhmann, Stefan Yoshi; Scheel, Stefan

    2009-04-10

    We discuss under what conditions the duality between electric and magnetic fields is a valid symmetry of macroscopic quantum electrodynamics. It is shown that Maxwell's equations in the absence of free charges satisfy duality invariance on an operator level, whereas this is not true for Lorentz forces and atom-field couplings in general. We prove that derived quantities such as Casimir forces, local-field corrected decay rates, as well as van der Waals potentials are invariant with respect to a global exchange of electric and magnetic quantities. This exact symmetry can be used to deduce the physics of new configurations on the basis of already established ones.

  6. Assessing Macroscopic Evapotranspiration Function Response to Climate

    NASA Astrophysics Data System (ADS)

    Gharun, M.; Vervoort, R. W.; Turnbull, T.; Henry, J.; Adams, M.

    2012-12-01

    Evapotranspiration (ET) by forests can reach up to 100% of rainfall in Australia, and is a substantial component of the water balance. Transpiration is a major part of the ET and it is well-known that transpiration depends on a combination of physiological and environmental controls. As a consequence of well-ventilated canopies of eucalypt forests and close decoupling to the atmosphere, atmospheric conditions exert a large control over transpiration. We measured a suit of environmental variables including temperature, humidity, radiation, and soil moisture concurrently with transpiration in a range of eucalypt forests. We observed that atmospheric demand (VPD) exerts the strongest control over transpiration. Experimental evidence also showed a strong dependency of the control on soil moisture abundance in the top soil layer. In many eco-hydrological models actual ET is represented with a linear transformation of potential ET based on the soil moisture condition, a so-called macroscopic approach. Such ET functions lump various soil and plant factors, are not experimentally supported and therefore quite poorly validated. Different combinations of atmospheric demand and soil moisture availability lead to diverse behaviour of the macroscopic ET function. Based on our observations in this study, we propose a novel approach that improves portray of transpiration, evaporation, drainage and hence the loss of water from the root zone. We used a modified version of the Norwegian HBV model to test our approach over a medium size catchment (150 km2) in south east Australia.

  7. Macroscopic theory for capillary-pressure hysteresis.

    PubMed

    Athukorallage, Bhagya; Aulisa, Eugenio; Iyer, Ram; Zhang, Larry

    2015-03-03

    In this article, we present a theory of macroscopic contact angle hysteresis by considering the minimization of the Helmholtz free energy of a solid-liquid-gas system over a convex set, subject to a constant volume constraint. The liquid and solid surfaces in contact are assumed to adhere weakly to each other, causing the interfacial energy to be set-valued. A simple calculus of variations argument for the minimization of the Helmholtz energy leads to the Young-Laplace equation for the drop surface in contact with the gas and a variational inequality that yields contact angle hysteresis for advancing/receding flow. We also show that the Young-Laplace equation with a Dirichlet boundary condition together with the variational inequality yields a basic hysteresis operator that describes the relationship between capillary pressure and volume. We validate the theory using results from the experiment for a sessile macroscopic drop. Although the capillary effect is a complex phenomenon even for a droplet as various points along the contact line might be pinned, the capillary pressure and volume of the drop are scalar variables that encapsulate the global quasistatic energy information for the entire droplet. Studying the capillary pressure versus volume relationship greatly simplifies the understanding and modeling of the phenomenon just as scalar magnetic hysteresis graphs greatly aided the modeling of devices with magnetic materials.

  8. Measurement contextuality is implied by macroscopic realism

    SciTech Connect

    Chen Zeqian; Montina, A.

    2011-04-15

    Ontological theories of quantum mechanics provide a realistic description of single systems by means of well-defined quantities conditioning the measurement outcomes. In order to be complete, they should also fulfill the minimal condition of macroscopic realism. Under the assumption of outcome determinism and for Hilbert space dimension greater than 2, they were all proved to be contextual for projective measurements. In recent years a generalized concept of noncontextuality was introduced that applies also to the case of outcome indeterminism and unsharp measurements. It was pointed out that the Beltrametti-Bugajski model is an example of measurement noncontextual indeterminist theory. Here we provide a simple proof that this model is the only one with such a feature for projective measurements and Hilbert space dimension greater than 2. In other words, there is no extension of quantum theory providing more accurate predictions of outcomes and simultaneously preserving the minimal labeling of events through projective operators. As a corollary, noncontextuality for projective measurements implies noncontextuality for unsharp measurements. By noting that the condition of macroscopic realism requires an extension of quantum theory, unless a breaking of unitarity is invoked, we arrive at the conclusion that the only way to solve the measurement problem in the framework of an ontological theory is by relaxing the hypothesis of measurement noncontextuality in its generalized sense.

  9. Modeling UHMWPE wear debris generation.

    PubMed

    Baudriller, H; Chabrand, P; Moukoko, D

    2007-02-01

    It is widely recognized that polyethylene wear debris is one of the main causes of long-term prosthesis loosening. The noxious bioreactivity associated with this debris is determined by its size, shape, and quantity. The aim of this study was to develop a numerical tool that can be used to investigate the primary polyethylene wear mechanisms involved. This model illustrates the formation of varying flow of polyethylene debris with various shapes and sizes caused by elementary mechanical processes. Instead of using the classical continuum mechanics formulation for this purpose, we used a divided materials approach to simulate debris production and release. This approach involves complex nonlinear bulk behaviors, frictional adhesive contact, and characterizes material damage as a loss of adhesion. All the associated models were validated with various benchmark tests. The examples given show the ability of the numerical model to generate debris of various shapes and sizes such as those observed in implant retrieval studies. Most of wear mechanisms such as abrasion, adhesion, and the shearing off of micro-asperities can be described using this approach. Furthermore, it could be applied to study the effects of friction couples, macroscopic geometries, and material processing (e.g. irradiation) on wear. (c) 2006 Wiley Periodicals, Inc.

  10. Deterministic Creation of Macroscopic Cat States

    PubMed Central

    Lombardo, Daniel; Twamley, Jason

    2015-01-01

    Despite current technological advances, observing quantum mechanical effects outside of the nanoscopic realm is extremely challenging. For this reason, the observation of such effects on larger scale systems is currently one of the most attractive goals in quantum science. Many experimental protocols have been proposed for both the creation and observation of quantum states on macroscopic scales, in particular, in the field of optomechanics. The majority of these proposals, however, rely on performing measurements, making them probabilistic. In this work we develop a completely deterministic method of macroscopic quantum state creation. We study the prototypical optomechanical Membrane In The Middle model and show that by controlling the membrane’s opacity, and through careful choice of the optical cavity initial state, we can deterministically create and grow the spatial extent of the membrane’s position into a large cat state. It is found that by using a Bose-Einstein condensate as a membrane high fidelity cat states with spatial separations of up to ∼300 nm can be achieved. PMID:26345157

  11. Macroscopic equations for the adiabatic piston.

    PubMed

    Cencini, Massimo; Palatella, Luigi; Pigolotti, Simone; Vulpiani, Angelo

    2007-11-01

    A simplified version of a classical problem in thermodynamics--the adiabatic piston--is discussed in the framework of kinetic theory. We consider the limit of gases whose relaxation time is extremely fast so that the gases contained in the left and right chambers of the piston are always in equilibrium (that is, the molecules are uniformly distributed and their velocities obey the Maxwell-Boltzmann distribution) after any collision with the piston. Then by using kinetic theory we derive the collision statistics, from which we obtain a set of ordinary differential equations for the evolution of the macroscopic observables (namely, the piston average velocity and position, the velocity variance, and the temperatures of the two compartments). The dynamics of these equations is compared with simulations of an ideal gas and a microscopic model of a gas devised to verify the assumptions used in the derivation. We show that the equations predict an evolution for the macroscopic variables that catches the basic features of the problem. The results here presented recover those derived, using a different approach, by Gruber, Pache, and Lesne [J. Stat. Phys. 108, 669 (2002); Gruber, Pache, and Lesne,J. Stat. Phys.112, 1177 (2003)].

  12. Prediction of macroscopic anisotropy in rolled aluminum-lithium sheet

    SciTech Connect

    Choi, S.H.; Barlat, F.

    1999-10-08

    The low density and high Young's modulus of Al-Li based alloys have stimulated their development for applications in aircraft manufacture. However, the anisotropy of tensile properties in Al-Li based alloys is usually higher than that of other aluminum alloys. Macroscopic anisotropy of Al-Li based alloys has been widely studied due to its importance in process design. In order to understand the effect of crystallographic texture on the macroscopic properties more rigorously, a more fundamental approach is required. In the present study, the effect of crystallographic texture on the macroscopic properties of a 2090-T3 sheet metal was investigated using the visco-plastic, self-consistent (VPSC) polycrystal model. This model satisfies both stress equilibrium and strain compatibility conditions.

  13. Comparison of stroke volume measurement between non-invasive bioreactance and esophageal Doppler in patients undergoing major abdominal-pelvic surgery.

    PubMed

    De Pascale, Gennaro; Singer, Mervyn; Brealey, David

    2017-08-01

    Bioreactance is a non-invasive technology for measuring stroke volume (SV) in the operating room and critical care setting. We evaluated how the NICOM(®) bioreactance device performed against the CardioQ(®) esophageal Doppler monitor in patients undergoing major abdominal-pelvic surgery, focusing on the effect of different hemodynamic interventions. SVNICOM and SVODM were simultaneously measured intraoperatively, including before and after interventions including fluid challenge, vasopressor boluses, peritoneal gas insufflation/removal, and Trendelenburg/reverse Trendelenburg patient positioning. A total of 768 values were collected from 21 patients. Pre- and post-intervention measures were recorded on 155 occasions. Bland-Altman analysis revealed a bias of 8.6 ml and poor precision with wide limits of agreement (54 and -37 ml) and a percentage error of 50.6%. No improvement in precision was detected after taking into account repeated measurements for each patient (bias: 8 ml; limits of agreement: 74 and -59 ml). Concordance between changes in SVNICOM and SVODM before and after interventions was also poor: 78.7% (all measures), 82.4% (after vasopressor administration), and 74.3% (after fluid challenge). Using Doppler SV as the reference technique, the area under the receiver operating characteristic curve assessing the ability of the NICOM device to predict fluid responsiveness was 0.81 (0.7-0.9). In patients undergoing major abdomino-pelvic surgery, SV values obtained by NICOM showed neither clinically or statistically acceptable agreement with those obtained by esophageal Doppler. Although, in the setting of this study, bioreactance technology cannot reliably replace esophageal Doppler monitoring, its accuracy for predicting fluid responsiveness was higher, up to approximately 80%. Observational study.

  14. High resolution and dynamic imaging of biopersistence and bioreactivity of extra and intracellular MWNTs exposed to microglial cells

    PubMed Central

    Gonzalez Carter, Daniel A.; Motskin, Michael; Pienaar, Ilse S.; Chen, Shu; Hu, Sheng; Ruenraroengsak, Pakatip; Ryan, Mary P.; Shaffer, Milo S. P.; Dexter, David T.

    2016-01-01

    Multi-walled carbon nanotubes (MWNTs) are increasingly being developed both as neuro-therapeutic drug delivery systems to the brain and as neural scaffolds to drive tissue regeneration across lesion sites. MWNTs with different degrees of acid oxidation may have different bioreactivities and propensities to aggregate in the extracellular environment, and both individualised and aggregated MWNTs may be expected to be found in the brain. Before practical application, it is vital to understand how both aggregates and individual MWNTs will interact with local phagocytic immune cells, the microglia, and ultimately to determine their biopersistence in the brain. The processing of extra- and intracellular MWNTs (both pristine and when acid oxidised) by microglia was characterised across multiple length scales by correlating a range of dynamic, quantitative and multi-scale techniques, including: UV-vis spectroscopy, light microscopy, focussed ion beam scanning electron microscopy and transmission electron microscopy. Dynamic, live cell imaging revealed the ability of microglia to break apart and internalise micron-sized extracellular agglomerates of acid oxidised MWNT, but not pristine MWNTs. The total amount of MWNTs internalised by, or strongly bound to, microglia was quantified as a function of time. Neither the significant uptake of oxidised MWNTs, nor the incomplete uptake of pristine MWNTs affected microglial viability, pro-inflammatory cytokine release or nitric oxide production. However, after 24 hrs exposure to pristine MWNTs, a significant increase in the production of reactive oxygen species was observed. Small aggregates and individualised oxidised MWNTs were present in the cytoplasm and vesicles, including within multilaminar bodies, after 72 hours. Some evidence of morphological damage to oxidised MWNT structure was observed including highly disordered graphitic structures, suggesting possible biodegradation. This work demonstrates the utility of dynamic

  15. Macroscopic Potentials for Charged Swelling Porous Media

    NASA Astrophysics Data System (ADS)

    Bennethum, L. S.

    2011-12-01

    Here we discuss the macroscopic potentials that induce bulk fluid flow through swelling porous materials. Swelling porous media such as expansive soils, food stuff, biotissue, and swelling polymers have complex microstructure such as a possibly charged solid surface and a large liquid-solid interfacial area density causing the solid-liquid interaction to affect macroscopic behavior. Here we discuss the macroscopic pressures and chemical potentials that produce flow within the framework of hybrid mixture theory.

  16. Macroscopic Quantum Tunneling in One Dimensional Superconductor

    NASA Astrophysics Data System (ADS)

    Chang, Yongmin

    Macroscopic quantum tunneling (MQT) in a one dimensional superconductor is discussed based on the microscopic model near the critical temperature. By means of a functional integral approach, a formula for the total decay rate, which is the sum of the thermal activation and quantum mechanical tunneling rate, is derived. The Bounce solution in the imaginary time formalism gives rise to the exponent in the tunneling rate. From the study of fluctuations from the bounce path, the pre-exponential factor has been evaluated. The theory for the tunneling rate is consistent with experimental results for temperatures at which the thermal activation theory fails. As the temperature approaches to the critical temperature, thermal activation over a free energy barrier which separates metastable states is dominant and the theory shows good agreement with experiment over the whole temperature region.

  17. Black holes and quantumness on macroscopic scales

    NASA Astrophysics Data System (ADS)

    Flassig, Daniel; Pritzel, Alexander; Wintergerst, Nico

    2013-04-01

    It has recently been suggested that black holes may be described as condensates of weakly interacting gravitons at a critical point, exhibiting strong quantum effects. In this paper, we study a model system of attractive bosons in one spatial dimension which is known to undergo a quantum phase transition. We demonstrate explicitly that indeed quantum effects are important at the critical point, even if the number of particles is macroscopic. Most prominently, we evaluate the entropy of entanglement between different momentum modes and observe it to become maximal at the critical point. Furthermore, we explicitly see that the leading entanglement is between long-wavelength modes and is hence a feature independent of ultraviolet physics. If applicable to black holes, our findings substantiate the conjectured breakdown of semiclassical physics even for large black holes. This can resolve long-standing mysteries, such as the information paradox and the no-hair theorem.

  18. Graphene chiral liquid crystals and macroscopic assembled fibres

    PubMed Central

    Xu, Zhen; Gao, Chao

    2011-01-01

    Chirality and liquid crystals are both widely expressed in nature and biology. Helical assembly of mesophasic molecules and colloids may produce intriguing chiral liquid crystals. To date, chiral liquid crystals of 2D colloids have not been explored. As a typical 2D colloid, graphene is now receiving unprecedented attention. However, making macroscopic graphene fibres is hindered by the poor dispersibility of graphene and by the lack of an assembly method. Here we report that soluble, chemically oxidized graphene or graphene oxide sheets can form chiral liquid crystals in a twist-grain-boundary phase-like model with simultaneous lamellar ordering and long-range helical frustrations. Aqueous graphene oxide liquid crystals were continuously spun into metres of macroscopic graphene oxide fibres; subsequent chemical reduction gave the first macroscopic neat graphene fibres with high conductivity and good mechanical performance. The flexible, strong graphene fibres were knitted into designed patterns and into directionally conductive textiles. PMID:22146390

  19. Macroscopic analyses of communicability structures in complex networks

    NASA Astrophysics Data System (ADS)

    Min, Seungsik; Chang, Ki-Ho; Na, Sungjoon; Kim, Kyungsik

    2016-11-01

    We study the dynamical property of macroscopic community structures in two scientific societies. The type of data is extracted from author networks in both the Korean Meteorological Society and the Korean Physical Society. We discuss some notable methods for giving evolutionary information as the community structure is investigated using the model of oscillator networks. We simulate and analyze macroscopic community metrics such as the entropy, the natural connectivity, the free energy, the total energy, and the bipartivity in the community structures of the two scientific societies. We particularly compare and analyze the statistical values between the two scientific societies.

  20. Macroscopic and tunable nanoparticle superlattices

    SciTech Connect

    Zhang, Honghu; Wang, Wenjie; Mallapragada, Surya; Travesset, Alex; Vaknin, David

    2016-10-24

    In this paper, we describe a robust method to assemble nanoparticles into highly ordered superlattices by inducing aqueous phase separation of neutral capping polymers. Here we demonstrate the approach with thiolated polyethylene-glycol-functionalized gold nanoparticles (PEG-AuNPs) in the presence of salts (for example, K2CO3) in solutions that spontaneously migrate to the liquid–vapor interface to form a Gibbs monolayer. We show that by increasing salt concentration, PEG-AuNP monolayers transform from two-dimensional (2D) gas-like to liquid-like phase and eventually, beyond a threshold concentration, to a highly ordered hexagonal structure, as characterized by surface sensitive synchrotron X-ray reflectivity and grazing incidence X-ray diffraction. Furthermore, the method allows control of the inplane packing in the crystalline phase by varying the K2CO3 and PEG-AuNPs concentrations and the length of PEG. Using polymer-brush theory, we argue that the assembly and crystallization is driven by the need to reduce surface tension between PEG and the salt solution. Our approach of taking advantage of the phase separation of PEG in salt solutions is general (i.e., can be used with any nanoparticles) leads to high-quality macroscopic and tunable crystals. In conclusion, we discuss how the method can also be applied to the design of orderly 3D structures.

  1. Macroscopic characterisations of Web accessibility

    NASA Astrophysics Data System (ADS)

    Lopes, Rui; Carriço, Luis

    2010-12-01

    The Web Science framework poses fundamental questions on the analysis of the Web, by focusing on how microscopic properties (e.g. at the level of a Web page or Web site) emerge into macroscopic properties and phenomena. One research topic on the analysis of the Web is Web accessibility evaluation, which centres on understanding how accessible a Web page is for people with disabilities. However, when framing Web accessibility evaluation on Web Science, we have found that existing research stays at the microscopic level. This article presents an experimental study on framing Web accessibility evaluation into Web Science's goals. This study resulted in novel accessibility properties of the Web not found at microscopic levels, as well as of Web accessibility evaluation processes themselves. We observed at large scale some of the empirical knowledge on how accessibility is perceived by designers and developers, such as the disparity of interpretations of accessibility evaluation tools warnings. We also found a direct relation between accessibility quality and Web page complexity. We provide a set of guidelines for designing Web pages, education on Web accessibility, as well as on the computational limits of large-scale Web accessibility evaluations.

  2. Macroscopic and tunable nanoparticle superlattices

    DOE PAGES

    Zhang, Honghu; Wang, Wenjie; Mallapragada, Surya; ...

    2016-10-24

    In this paper, we describe a robust method to assemble nanoparticles into highly ordered superlattices by inducing aqueous phase separation of neutral capping polymers. Here we demonstrate the approach with thiolated polyethylene-glycol-functionalized gold nanoparticles (PEG-AuNPs) in the presence of salts (for example, K2CO3) in solutions that spontaneously migrate to the liquid–vapor interface to form a Gibbs monolayer. We show that by increasing salt concentration, PEG-AuNP monolayers transform from two-dimensional (2D) gas-like to liquid-like phase and eventually, beyond a threshold concentration, to a highly ordered hexagonal structure, as characterized by surface sensitive synchrotron X-ray reflectivity and grazing incidence X-ray diffraction. Furthermore,more » the method allows control of the inplane packing in the crystalline phase by varying the K2CO3 and PEG-AuNPs concentrations and the length of PEG. Using polymer-brush theory, we argue that the assembly and crystallization is driven by the need to reduce surface tension between PEG and the salt solution. Our approach of taking advantage of the phase separation of PEG in salt solutions is general (i.e., can be used with any nanoparticles) leads to high-quality macroscopic and tunable crystals. In conclusion, we discuss how the method can also be applied to the design of orderly 3D structures.« less

  3. Links between microscopic and macroscopic fluid mechanics

    NASA Astrophysics Data System (ADS)

    Hoover, Wm. G.; Hoover, C. G.

    2003-01-01

    The microscopic and macroscopic versions of fluid mechanics differ qualitatively. Microscopic particles obey time-reversible ordinary differential equations. The resulting particle trajectories {q(t)} may be time-averaged or ensemble-averaged so as to generate field quantities corresponding to macroscopic variables. On the other hand, the macroscopic continuum fields described by fluid mechanics follow irreversible partial differential equations. Smooth particle methods bridge the gap separating these two views of fluids by solving the macroscopic field equations with particle dynamics that resemble molecular dynamics. Recently, nonlinear dynamics have provided some useful tools for understanding the relationship between the microscopic and macroscopic points of view. Chaos and fractals play key roles in this new understanding. Non-equilibrium phase-space averages look very different from their equilibrium counterparts. Away from equilibrium the smooth phase-space distributions are replaced by fractional-dimensional singular distributions that exhibit time irreversibility.

  4. Macroscopic Superpositions as Quantum Ground States

    NASA Astrophysics Data System (ADS)

    Dakić, Borivoje; Radonjić, Milan

    2017-09-01

    We study the question of what kind of a macroscopic superposition can(not) naturally exist as a ground state of some gapped local many-body Hamiltonian. We derive an upper bound on the energy gap of an arbitrary physical Hamiltonian provided that its ground state is a superposition of two well-distinguishable macroscopic "semiclassical" states. For a large class of macroscopic superposition states we show that the gap vanishes in the macroscopic limit. This in turn shows that preparation of such states by simple cooling to the ground state is not experimentally feasible and requires a different strategy. Our approach is very general and can be used to rule out a variety of quantum states, some of which do not even exhibit macroscopic quantum properties. Moreover, our methods and results can be used for addressing quantum marginal related problems.

  5. Cloud Macroscopic Organization: Order Emerging from Randomness

    NASA Technical Reports Server (NTRS)

    Yuan, Tianle

    2011-01-01

    Clouds play a central role in many aspects of the climate system and their forms and shapes are remarkably diverse. Appropriate representation of clouds in climate models is a major challenge because cloud processes span at least eight orders of magnitude in spatial scales. Here we show that there exists order in cloud size distribution of low-level clouds, and that it follows a power-law distribution with exponent gamma close to 2. gamma is insensitive to yearly variations in environmental conditions, but has regional variations and land-ocean contrasts. More importantly, we demonstrate this self-organizing behavior of clouds emerges naturally from a complex network model with simple, physical organizing principles: random clumping and merging. We also demonstrate symmetry between clear and cloudy skies in terms of macroscopic organization because of similar fundamental underlying organizing principles. The order in the apparently complex cloud-clear field thus has its root in random local interactions. Studying cloud organization with complex network models is an attractive new approach that has wide applications in climate science. We also propose a concept of cloud statistic mechanics approach. This approach is fully complementary to deterministic models, and the two approaches provide a powerful framework to meet the challenge of representing clouds in our climate models when working in tandem.

  6. Macroscopic liquid-state molecular hydrodynamics

    PubMed Central

    Keanini, R. G.; Tkacik, Peter T.; Fleischhauer, Eric; Shahinian, Hossein; Sholar, Jodie; Azimi, Farzad; Mullany, Brid

    2017-01-01

    Experimental evidence and theoretical modeling suggest that piles of confined, high-restitution grains, subject to low-amplitude vibration, can serve as experimentally-accessible analogs for studying a range of liquid-state molecular hydrodynamic processes. Experiments expose single-grain and multiple-grain, collective dynamic features that mimic those either observed or predicted in molecular-scale, liquid state systems, including: (i) near-collision-time-scale hydrodynamic organization of single-molecule dynamics, (ii) nonequilibrium, long-time-scale excitation of collective/hydrodynamic modes, and (iii) long-time-scale emergence of continuum, viscous flow. In order to connect directly observable macroscale granular dynamics to inaccessible and/or indirectly measured molecular hydrodynamic processes, we recast traditional microscale equilibrium and nonequilibrium statistical mechanics for dense, interacting microscale systems into self-consistent, macroscale form. The proposed macroscopic models, which appear to be new with respect to granular physics, and which differ significantly from traditional kinetic-theory-based, macroscale statistical mechanics models, are used to rigorously derive the continuum equations governing viscous, liquid-like granular flow. The models allow physically-consistent interpretation and prediction of observed equilibrium and non-equilibrium, single-grain, and collective, multiple-grain dynamics. PMID:28139711

  7. Macroscopic liquid-state molecular hydrodynamics

    NASA Astrophysics Data System (ADS)

    Keanini, R. G.; Tkacik, Peter T.; Fleischhauer, Eric; Shahinian, Hossein; Sholar, Jodie; Azimi, Farzad; Mullany, Brid

    2017-01-01

    Experimental evidence and theoretical modeling suggest that piles of confined, high-restitution grains, subject to low-amplitude vibration, can serve as experimentally-accessible analogs for studying a range of liquid-state molecular hydrodynamic processes. Experiments expose single-grain and multiple-grain, collective dynamic features that mimic those either observed or predicted in molecular-scale, liquid state systems, including: (i) near-collision-time-scale hydrodynamic organization of single-molecule dynamics, (ii) nonequilibrium, long-time-scale excitation of collective/hydrodynamic modes, and (iii) long-time-scale emergence of continuum, viscous flow. In order to connect directly observable macroscale granular dynamics to inaccessible and/or indirectly measured molecular hydrodynamic processes, we recast traditional microscale equilibrium and nonequilibrium statistical mechanics for dense, interacting microscale systems into self-consistent, macroscale form. The proposed macroscopic models, which appear to be new with respect to granular physics, and which differ significantly from traditional kinetic-theory-based, macroscale statistical mechanics models, are used to rigorously derive the continuum equations governing viscous, liquid-like granular flow. The models allow physically-consistent interpretation and prediction of observed equilibrium and non-equilibrium, single-grain, and collective, multiple-grain dynamics.

  8. Lattice Boltzmann simulation of solute transport in heterogeneous porous media with conduits to estimate macroscopic continuous time random walk model parameters

    SciTech Connect

    Anwar, S.; Cortis, A.; Sukop, M.

    2008-10-20

    Lattice Boltzmann models simulate solute transport in porous media traversed by conduits. Resulting solute breakthrough curves are fitted with Continuous Time Random Walk models. Porous media are simulated by damping flow inertia and, when the damping is large enough, a Darcy's Law solution instead of the Navier-Stokes solution normally provided by the lattice Boltzmann model is obtained. Anisotropic dispersion is incorporated using a direction-dependent relaxation time. Our particular interest is to simulate transport processes outside the applicability of the standard Advection-Dispersion Equation (ADE) including eddy mixing in conduits. The ADE fails to adequately fit any of these breakthrough curves.

  9. A single Markov-type kinetic model accounting for the macroscopic currents of all human voltage-gated sodium channel isoforms.

    PubMed

    Balbi, Pietro; Massobrio, Paolo; Hellgren Kotaleski, Jeanette

    2017-09-01

    Modelling ionic channels represents a fundamental step towards developing biologically detailed neuron models. Until recently, the voltage-gated ion channels have been mainly modelled according to the formalism introduced by the seminal works of Hodgkin and Huxley (HH). However, following the continuing achievements in the biophysical and molecular comprehension of these pore-forming transmembrane proteins, the HH formalism turned out to carry limitations and inconsistencies in reproducing the ion-channels electrophysiological behaviour. At the same time, Markov-type kinetic models have been increasingly proven to successfully replicate both the electrophysiological and biophysical features of different ion channels. However, in order to model even the finest non-conducting molecular conformational change, they are often equipped with a considerable number of states and related transitions, which make them computationally heavy and less suitable for implementation in conductance-based neurons and large networks of those. In this purely modelling study we develop a Markov-type kinetic model for all human voltage-gated sodium channels (VGSCs). The model framework is detailed, unifying (i.e., it accounts for all ion-channel isoforms) and computationally efficient (i.e. with a minimal set of states and transitions). The electrophysiological data to be modelled are gathered from previously published studies on whole-cell patch-clamp experiments in mammalian cell lines heterologously expressing the human VGSC subtypes (from NaV1.1 to NaV1.9). By adopting a minimum sequence of states, and using the same state diagram for all the distinct isoforms, the model ensures the lightest computational load when used in neuron models and neural networks of increasing complexity. The transitions between the states are described by original ordinary differential equations, which represent the rate of the state transitions as a function of voltage (i.e., membrane potential). The

  10. Patient-calibrated agent-based modelling of ductal carcinoma in situ (DCIS): From microscopic measurements to macroscopic predictions of clinical progression

    PubMed Central

    Macklin, Paul; Edgerton, Mary E.; Thompson, Alastair M.; Cristini, Vittorio

    2012-01-01

    Ductal carcinoma in situ (DCIS)—a significant precursor to invasive breast cancer—is typically diagnosed as microcalcifications in mammograms. However, the effective use of mammograms and other patient data to plan treatment has been restricted by our limited understanding of DCIS growth and calcification. We develop a mechanistic, agent-based cell model and apply it to DCIS. Cell motion is determined by a balance of biomechanical forces. We use potential functions to model interactions with the basement membrane and amongst cells of unequal size and phenotype. Each cell’s phenotype is determined by genomic/proteomic- and microenvironment-dependent stochastic processes. Detailed “sub-models” describe cell volume changes during proliferation and necrosis; we are the first to account for cell calcification. We introduce the first patient-specific calibration method to fully constrain the model based upon clinically-accessible histopathology data. After simulating 45 days of solid-type DCIS with comedonecrosis, the model predicts: necrotic cell lysis acts as a biomechanical stress relief, and is responsible for the linear DCIS growth observed in mammography; the rate of DCIS advance varies with the duct radius; the tumour grows 7 to 10 mm per year—consistent with mammographic data; and the mammographic and (post-operative) pathologic sizes are linearly correlated—in quantitative agreement with the clinical literature. Patient histopathology matches the predicted DCIS microstructure: an outer proliferative rim surrounds a stratified necrotic core with nuclear debris on its outer edge and calcification in the centre. This work illustrates that computational modelling can provide new insight on the biophysical underpinnings of cancer. It may one day be possible to augment a patient’s mammography and other imaging with rigorously-calibrated models that help select optimal surgical margins based upon the patient’s histopathologic data. PMID:22342935

  11. Bioreaction Engineering Leading to Efficient Synthesis of L-Glyceraldehyd-3-Phosphate.

    PubMed

    Molla, Getachew S; Kinfu, Birhanu M; Chow, Jennifer; Streit, Wolfgang; Wohlgemuth, Roland; Liese, Andreas

    2017-03-01

    Enantiopure L-glyceraldehyde-3-phosphate (L-GAP) is a useful building block in natural biological and synthetic processes. A biocatalytic process using glycerol kinase from Cellulomonas sp. (EC 2.7.1.30) catalyzed phosphorylation of L-glyceraldehyde (L-GA) by ATP is used for the synthesis of L-GAP. L-GAP has a half-life of 6.86 h under reaction conditions. The activity of this enzyme depends on the Mg(2+) to ATP molar ratio showing maximum activity at the optimum molar ratio of 0.7. A kinetic model is developed and validated showing a 2D correlation of 99.9% between experimental and numerical data matrices. The enzyme exhibits inhibition by ADP, AMP, methylglyoxal and Ca(2+) , but not by L-GAP and inorganic orthophosphate. Moreover, equal amount of Ca(2+) exerts a different degree of inhibition relative to the activity without the addition of Ca(2+) depending on the Mg(2+) to ATP molar ratio. If the Mg(2+) to ATP molar ratio is set to be at the optimum value or less, inorganic hexametaphosphate (PPi6) suppresses the enzyme activity; otherwise PPi6 enhances the enzyme activity. Based on reaction engineering parameters such as conversion, selectivity and specific productivity, evaluation of different reactor types reveals that batchwise operation via stirred-tank reactor is the most efficient process for the synthesis of L-GAP.

  12. Artificial neural network associated to UV/Vis spectroscopy for monitoring bioreactions in biopharmaceutical processes.

    PubMed

    Takahashi, Maria Beatriz; Leme, Jaci; Caricati, Celso Pereira; Tonso, Aldo; Fernández Núñez, Eutimio Gustavo; Rocha, José Celso

    2015-06-01

    Currently, mammalian cells are the most utilized hosts for biopharmaceutical production. The culture media for these cell lines include commonly in their composition a pH indicator. Spectroscopic techniques are used for biopharmaceutical process monitoring, among them, UV-Vis spectroscopy has found scarce applications. This work aimed to define artificial neural networks architecture and fit its parameters to predict some nutrients and metabolites, as well as viable cell concentration based on UV-Vis spectral data of mammalian cell bioprocess using phenol red in culture medium. The BHK-21 cell line was used as a mammalian cell model. Off-line spectra of supernatant samples taken from batches performed at different dissolved oxygen concentrations in two bioreactor configurations and with two pH control strategies were used to define two artificial neural networks. According to absolute errors, glutamine (0.13 ± 0.14 mM), glutamate (0.02 ± 0.02 mM), glucose (1.11 ± 1.70 mM), lactate (0.84 ± 0.68 mM) and viable cell concentrations (1.89 10(5) ± 1.90 10(5) cell/mL) were suitably predicted. The prediction error averages for monitored variables were lower than those previously reported using different spectroscopic techniques in combination with partial least squares or artificial neural network. The present work allows for UV-VIS sensor development, and decreases cost related to nutrients and metabolite quantifications.

  13. Simulations of Self-Expanding Braided Stent Using Macroscopic Model of NiTi Shape Memory Alloys Covering R-Phase

    NASA Astrophysics Data System (ADS)

    Frost, M.; Sedlák, P.; Kruisová, A.; Landa, M.

    2014-07-01

    Self-expanding stents or stentgrafts made from Nitinol superelastic alloy are widely used for a less invasive treatment of disease-induced localized flow constriction in the cardiovascular system. The therapy is based on insertion of a stent into a blood vessel to maintain the inner diameter of the vessel; it provides highly effective results at minimal cost and with reduced hospital stays. However, since stent is an external mechanical healing tool implemented into human body for quite a long time, information on the mechanical performance of it is of fundamental importance with respect to patient's safety and comfort. Advantageously, computational structural analysis can provide valuable information on the response of the product in an environment where in vivo experimentation is extremely expensive or impossible. With this motivation, a numerical model of a particular braided self-expanding stent was developed. As a reasonable approximation substantially reducing computational demands, the stent was considered to be composed of a set of helical springs with specific constrains reflecting geometry of the structure. An advanced constitutive model for NiTi-based shape memory alloys including R-phase transition was employed in analysis. Comparison to measurements shows a very good match between the numerical solution and experimental results. Relation between diameter of the stent and uniform radial pressure on its surface is estimated. Information about internal phase and stress state of the material during compression loading provided by the model is used to estimate fatigue properties of the stent during cyclic loading.

  14. New Tests of Macroscopic Local Realism

    NASA Astrophysics Data System (ADS)

    Reid, M. D.

    We show that quantum mechanics predicts an Einstein-Podolsky-Rosen paradox (EPR), and also a contradiction with local hidden variable theories, for photon number measurements which have limited resolving power, to the point of imposing an uncertainty in the photon number result which is macroscopic in absolute terms. We show how this can be interpreted as a failure of a new, very strong premise, called macroscopic local realism. We link this premise to the Schrodinger-cat paradox. Our proposed experiments ensure all fields incident on each measurement apparatus are macroscopic. We show that an alternative measurement scheme corresponds to balanced homodyne detection of quadrature phase amplitudes. The implication is that where either EPR correlations or failure of local realism is predicted for quadrature phase amplitude measurements, one can potentially perform a modified experiment which would lead to conclusions about the much stronger premise of macroscopic local realism.

  15. Effect of the Plasmid-DNA Vaccination on Macroscopic and Microscopic Damage Caused by the Experimental Chronic Trypanosoma cruzi Infection in the Canine Model

    PubMed Central

    Rodríguez-Morales, Olivia; Carrillo-Sánchez, Silvia C.; García-Mendoza, Humberto; Aranda-Fraustro, Alberto; Ballinas-Verdugo, Martha A.; Alejandre-Aguilar, Ricardo; Rosales-Encina, José Luis; Arce-Fonseca, Minerva

    2013-01-01

    The dog is considered the main domestic reservoir for Trypanosoma cruzi infection and a suitable experimental animal model to study the pathological changes during the course of Chagas disease (CD). Vaccine development is one of CD prevention methods to protect people at risk. Two plasmids containing genes encoding a trans-sialidase protein (TcSP) and an amastigote-specific glycoprotein (TcSSP4) were used as DNA vaccines in a canine model. Splenomegaly was not found in either of the recombinant plasmid-immunized groups; however, cardiomegaly was absent in animals immunized only with the plasmid containing the TcSSP4 gene. The inflammation of subendocardial and myocardial tissues was prevented only with the immunization with TcSSP4 gene. In conclusion, the vaccination with these genes has a partial protective effect on the enlargement of splenic and cardiac tissues during the chronic CD and on microscopic hearth damage, since both plasmids prevented splenomegaly but only one avoided cardiomegaly, and the lesions in heart tissue of dog immunized with plasmid containing the TcSSP4 gene covered only subepicardial tissue. PMID:24163822

  16. Thermodynamics of Bioreactions.

    PubMed

    Held, Christoph; Sadowski, Gabriele

    2016-06-07

    Thermodynamic principles have been applied to enzyme-catalyzed reactions since the beginning of the 1930s in an attempt to understand metabolic pathways. Currently, thermodynamics is also applied to the design and analysis of biotechnological processes. The key thermodynamic quantity is the Gibbs energy of reaction, which must be negative for a reaction to occur spontaneously. However, the application of thermodynamic feasibility studies sometimes yields positive Gibbs energies of reaction even for reactions that are known to occur spontaneously, such as glycolysis. This article reviews the application of thermodynamics in enzyme-catalyzed reactions. It summarizes the basic thermodynamic relationships used for describing the Gibbs energy of reaction and also refers to the nonuniform application of these relationships in the literature. The review summarizes state-of-the-art approaches that describe the influence of temperature, pH, electrolytes, solvents, and concentrations of reacting agents on the Gibbs energy of reaction and, therefore, on the feasibility and yield of biological reactions.

  17. From a Microscopic to a Macroscopic Model for Alzheimer Disease: Two-Scale Homogenization of the Smoluchowski Equation in Perforated Domains

    NASA Astrophysics Data System (ADS)

    Franchi, Bruno; Lorenzani, Silvia

    2016-06-01

    In this paper, we study the homogenization of a set of Smoluchowski's discrete diffusion-coagulation equations modeling the aggregation and diffusion of β -amyloid peptide (Aβ ), a process associated with the development of Alzheimer's disease. In particular, we define a periodically perforated domain Ω _{ɛ }, obtained by removing from the fixed domain Ω (the cerebral tissue) infinitely many small holes of size ɛ (the neurons), which support a non-homogeneous Neumann boundary condition describing the production of Aβ by the neuron membranes. Then, we prove that, when ɛ → 0, the solution of this micromodel two-scale converges to the solution of a macromodel asymptotically consistent with the original one. Indeed, the information given on the microscale by the non-homogeneous Neumann boundary condition is transferred into a source term appearing in the limiting (homogenized) equations. Furthermore, on the macroscale, the geometric structure of the perforated domain induces a correction in that the scalar diffusion coefficients defined at the microscale are replaced by tensorial quantities.

  18. The comparison of macroscopic and histologic healing of side-to-side (SS) tenorrhaphy technique and primer tendon repair in a rabbit model.

    PubMed

    Dogramaci, Yunus; Uruc, Vedat; Ozden, Raif; Duman, Ibrahim Gökhan; Kalaci, Aydiner; Altuğ, Muhammed Enes; Işler, Cafer Tayar; Atik, Esin

    2014-07-01

    The side-to-side (SS) tenorrhaphy technique has been used in tendon transfer surgery. The mechanical properties of SS tendon suture have been studied previously. However, the histo-pathological healing of the SS tenorrhaphy of the tendons is unknown. The aim of this study was to assess the gross and histological effects of SS tenorrhaphy in a rabbit model. Twenty New Zealand rabbits were used. The extensor hallucis longus and tibialis anterior tendon were sewed SS at the level distal to the ankle joint. The patellar tendon (PT) at the same side was used as control group. A unilateral midline incision was made and repaired with a single suture. The animals were killed at the 12th week postoperatively. The histological sections were obtained from the side of surgery from each group. Each sample was stained with hematoxylene and eosin (H&E). Gross and microscopic healing was compared between the two groups. Gross examination of the control group showed complete healing with a thin peri-tendinous sheath formation around the suture site, whereas in the study group, a thick peri-tendinous sheath was formed around the area of the tendon-tendon anastomosis. In the control group, at the 12th week after surgery, the healing was almost completed in all samples. In the study group, a thick fibro vascular sheath has formed around the side of anastomosis. In all specimens few inter-digitations were observed between the tendons;however, the trough was still present. The result of the current study showed that histological healing and union of SS tenorrhaphy differ from that in primary tendon injury and healing. Further studies are required to clarify the healing stages at the tenorrhaphy site.

  19. Macroscopic Equations Governing Noisy Spiking Neuronal Populations with Linear Synapses

    PubMed Central

    Galtier, Mathieu N.; Touboul, Jonathan

    2013-01-01

    Deriving tractable reduced equations of biological neural networks capturing the macroscopic dynamics of sub-populations of neurons has been a longstanding problem in computational neuroscience. In this paper, we propose a reduction of large-scale multi-population stochastic networks based on the mean-field theory. We derive, for a wide class of spiking neuron models, a system of differential equations of the type of the usual Wilson-Cowan systems describing the macroscopic activity of populations, under the assumption that synaptic integration is linear with random coefficients. Our reduction involves one unknown function, the effective non-linearity of the network of populations, which can be analytically determined in simple cases, and numerically computed in general. This function depends on the underlying properties of the cells, and in particular the noise level. Appropriate parameters and functions involved in the reduction are given for different models of neurons: McKean, Fitzhugh-Nagumo and Hodgkin-Huxley models. Simulations of the reduced model show a precise agreement with the macroscopic dynamics of the networks for the first two models. PMID:24236067

  20. Noise-driven interfaces and their macroscopic representation

    NASA Astrophysics Data System (ADS)

    Dentz, Marco; Neuweiler, Insa; Méheust, Yves; Tartakovsky, Daniel M.

    2016-11-01

    We study the macroscopic representation of noise-driven interfaces in stochastic interface growth models in (1 +1 ) dimensions. The interface is characterized macroscopically by saturation, which represents the fluctuating sharp interface by a smoothly varying phase field with values between 0 and 1. We determine the one-point interface height statistics for the Edwards-Wilkinson (EW) and Kadar-Paris-Zhang (KPZ) models in order to determine explicit deterministic equations for the phase saturation for each of them. While we obtain exact results for the EW model, we develop a Gaussian closure approximation for the KPZ model. We identify an interface compression term, which is related to mass transfer perpendicular to the growth direction, and a diffusion term that tends to increase the interface width. The interface compression rate depends on the mesoscopic mass transfer process along the interface and in this sense provides a relation between meso- and macroscopic interface dynamics. These results shed light on the relation between mesoscale and macroscale interface models, and provide a systematic framework for the upscaling of stochastic interface dynamics.

  1. Macroscopic quantum phenomena from the large N perspective

    NASA Astrophysics Data System (ADS)

    Chou, C. H.; Hu, B. L.; Subaşi, Y.

    2011-07-01

    Macroscopic quantum phenomena (MQP) is a relatively new research venue, with exciting ongoing experiments and bright prospects, yet with surprisingly little theoretical activity. What makes MQP intellectually stimulating is because it is counterpoised against the traditional view that macroscopic means classical. This simplistic and hitherto rarely challenged view need be scrutinized anew, perhaps with much of the conventional wisdoms repealed. In this series of papers we report on a systematic investigation into some key foundational issues of MQP, with the hope of constructing a viable theoretical framework for this new endeavour. The three major themes discussed in these three essays are the large N expansion, the correlation hierarchy and quantum entanglement for systems of 'large' sizes, with many components or degrees of freedom. In this paper we use different theories in a variety of contexts to examine the conditions or criteria whereby a macroscopic quantum system may take on classical attributes, and, more interestingly, that it keeps some of its quantum features. The theories we consider here are, the O(N) quantum mechanical model, semiclassical stochastic gravity and gauge / string theories; the contexts include that of a 'quantum roll' in inflationary cosmology, entropy generation in quantum Vlasov equation for plasmas, the leading order and next-to-leading order large N behaviour, and hydrodynamic / thermodynamic limits. The criteria for classicality in our consideration include the use of uncertainty relations, the correlation between classical canonical variables, randomization of quantum phase, environment-induced decoherence, decoherent history of hydrodynamic variables, etc. All this exercise is to ask only one simple question: Is it really so surprising that quantum features can appear in macroscopic objects? By examining different representative systems where detailed theoretical analysis has been carried out, we find that there is no a priori

  2. Electron shading on a macroscopic scale

    NASA Astrophysics Data System (ADS)

    Madziwa, Tsitsi G.; Chen, Francis F.

    2000-10-01

    Damage to thin gate insulators during plasma processing is thought to be caused by the electron shading effect, in which a negative charge on the photoresist prevents electrons from reaching the bottoms of trenches and vias. The resulting positive charge impinging on the oxide layer creates megavolt potentials across it. Though this hypothetical effect has been modeled extensively in computer simulations, it has not been seen in detail in experiment. To test the theory on a macroscopic scale, we have devised an RF discharge at low pressure and low density, such that both the mean free path and the Debye length are larger than the feature sizes, as in actual microcircuits. Circular vias of order 1 mm in diam are drilled in an insulating plate exposed to the plasma, and the current and potential at various depths are measured with charge collectors. The potential distribution in each hole is calculated with a Poisson solver, and the ion trajectories are found numerically, giving the expected I - V characteristics of the collector to be compared with measurements. Of particular interest is the variation of the charging currents during the RF cycle.

  3. Variation in Quantity, Source and Bioreactivity of Dissolved Organic Matter in Streams Draining Watersheds along a Gradient of Agricultural Land Use

    NASA Astrophysics Data System (ADS)

    Shang, P.; Lu, Y.; Jaffe, R.; Du, Y.; Findlay, R.

    2015-12-01

    In order to address the effects of agricultural land use on stream water dissolved organic matter (DOM), we sampled a regional group of second to third order streams draining watersheds along a gradient of percentage agricultural lands in northwestern Alabama, USA. Samples were collected under baseflow conditions, five different times over the year 2014. We analyzed dissolved organic carbon (DOC) concentrations, DOM optical properties (i.e. ultraviolet-visible and fluorescence spectrophotometry), and DOM bioreactivity over the course of 22 d incubation. We found that air temperature and antecedent precipitation intensity (API) were two major factors positively controlling DOC concentrations. High DOC concentrations were associated with high fluorescence index values, low percent contributions from terrestrially derived humic-like DOM fluorescence component (C1), and high percent contributions from microbially derived humic-like DOM fluorescence component (C3). We suggest that elevated microbial DOM production under high temperature and API was the primary reason for DOC enrichment in stream water. Percentage agricultural land was the secondary predictor of DOM characteristics. The percentages of forest land use within watersheds positively correlated with percent protein-like DOM fluorescence component (C4). DOC concentrations and relative abundance of humic-like DOM fluorescence components (C1, C2 and C3) were higher in agricultural streams than in forested streams, which could be attributed to flow path differences between agricultural and forested watersheds. Larger amount and percentage of bioreactive DOC was observed in agricultural streams, which might decrease oxygen level and impact fluvial ecosystem in downstream regions during degradation.

  4. A quantitative link between microplastic instability and macroscopic deformation behaviors in metallic glasses

    NASA Astrophysics Data System (ADS)

    Wu, Y.; Chen, G. L.; Hui, X. D.; Liu, C. T.; Lin, Y.; Shang, X. C.; Lu, Z. P.

    2009-10-01

    Based on mechanical instability of individual shear transformation zones (STZs), a quantitative link between the microplastic instability and macroscopic deformation behavior of metallic glasses was proposed. Our analysis confirms that macroscopic metallic glasses comprise a statistical distribution of STZ embryos with distributed values of activation energy, and the microplastic instability of all the individual STZs dictates the macroscopic deformation behavior of amorphous solids. The statistical model presented in this paper can successfully reproduce the macroscopic stress-strain curves determined experimentally and readily be used to predict strain-rate effects on the macroscopic responses with the availability of the material parameters at a certain strain rate, which offer new insights into understanding the actual deformation mechanism in amorphous solids.

  5. Macroscopic Description for Networks of Spiking Neurons

    NASA Astrophysics Data System (ADS)

    Montbrió, Ernest; Pazó, Diego; Roxin, Alex

    2015-04-01

    A major goal of neuroscience, statistical physics, and nonlinear dynamics is to understand how brain function arises from the collective dynamics of networks of spiking neurons. This challenge has been chiefly addressed through large-scale numerical simulations. Alternatively, researchers have formulated mean-field theories to gain insight into macroscopic states of large neuronal networks in terms of the collective firing activity of the neurons, or the firing rate. However, these theories have not succeeded in establishing an exact correspondence between the firing rate of the network and the underlying microscopic state of the spiking neurons. This has largely constrained the range of applicability of such macroscopic descriptions, particularly when trying to describe neuronal synchronization. Here, we provide the derivation of a set of exact macroscopic equations for a network of spiking neurons. Our results reveal that the spike generation mechanism of individual neurons introduces an effective coupling between two biophysically relevant macroscopic quantities, the firing rate and the mean membrane potential, which together govern the evolution of the neuronal network. The resulting equations exactly describe all possible macroscopic dynamical states of the network, including states of synchronous spiking activity. Finally, we show that the firing-rate description is related, via a conformal map, to a low-dimensional description in terms of the Kuramoto order parameter, called Ott-Antonsen theory. We anticipate that our results will be an important tool in investigating how large networks of spiking neurons self-organize in time to process and encode information in the brain.

  6. Conversion of light into macroscopic helical motion.

    PubMed

    Iamsaard, Supitchaya; Aßhoff, Sarah J; Matt, Benjamin; Kudernac, Tibor; Cornelissen, Jeroen J L M; Fletcher, Stephen P; Katsonis, Nathalie

    2014-03-01

    A key goal of nanotechnology is the development of artificial machines capable of converting molecular movement into macroscopic work. Although conversion of light into shape changes has been reported and compared to artificial muscles, real applications require work against an external load. Here, we describe the design, synthesis and operation of spring-like materials capable of converting light energy into mechanical work at the macroscopic scale. These versatile materials consist of molecular switches embedded in liquid-crystalline polymer springs. In these springs, molecular movement is converted and amplified into controlled and reversible twisting motions. The springs display complex motion, which includes winding, unwinding and helix inversion, as dictated by their initial shape. Importantly, they can produce work by moving a macroscopic object and mimicking mechanical movements, such as those used by plant tendrils to help the plant access sunlight. These functional materials have potential applications in micromechanical systems, soft robotics and artificial muscles.

  7. Nanoplasmon-enabled macroscopic thermal management

    PubMed Central

    Jonsson, Gustav Edman; Miljkovic, Vladimir; Dmitriev, Alexandre

    2014-01-01

    In numerous applications of energy harvesting via transformation of light into heat the focus recently shifted towards highly absorptive nanoplasmonic materials. It is currently established that noble metals-based absorptive plasmonic platforms deliver significant light-capturing capability and can be viewed as super-absorbers of optical radiation. Naturally, approaches to the direct experimental probing of macroscopic temperature increase resulting from these absorbers are welcomed. Here we derive a general quantitative method of characterizing heat-generating properties of optically absorptive layers via macroscopic thermal imaging. We further monitor macroscopic areas that are homogeneously heated by several degrees with nanostructures that occupy a mere 8% of the surface, leaving it essentially transparent and evidencing significant heat generation capability of nanoplasmon-enabled light capture. This has a direct bearing to a large number of applications where thermal management is crucial. PMID:24870613

  8. Conversion of light into macroscopic helical motion

    NASA Astrophysics Data System (ADS)

    Iamsaard, Supitchaya; Aßhoff, Sarah J.; Matt, Benjamin; Kudernac, Tibor; Cornelissen, Jeroen J. L. M.; Fletcher, Stephen P.; Katsonis, Nathalie

    2014-03-01

    A key goal of nanotechnology is the development of artificial machines capable of converting molecular movement into macroscopic work. Although conversion of light into shape changes has been reported and compared to artificial muscles, real applications require work against an external load. Here, we describe the design, synthesis and operation of spring-like materials capable of converting light energy into mechanical work at the macroscopic scale. These versatile materials consist of molecular switches embedded in liquid-crystalline polymer springs. In these springs, molecular movement is converted and amplified into controlled and reversible twisting motions. The springs display complex motion, which includes winding, unwinding and helix inversion, as dictated by their initial shape. Importantly, they can produce work by moving a macroscopic object and mimicking mechanical movements, such as those used by plant tendrils to help the plant access sunlight. These functional materials have potential applications in micromechanical systems, soft robotics and artificial muscles.

  9. Quantum communication with macroscopically bright nonclassical states.

    PubMed

    Usenko, Vladyslav C; Ruppert, Laszlo; Filip, Radim

    2015-11-30

    We analyze homodyne detection of macroscopically bright multimode nonclassical states of light and propose their application in quantum communication. We observe that the homodyne detection is sensitive to a mode-matching of the bright light to the highly intense local oscillator. Unmatched bright modes of light result in additional noise which technically limits detection of Gaussian entanglement at macroscopic level. When the mode-matching is sufficient, we show that multimode quantum key distribution with bright beams is feasible. It finally merges the quantum communication with classical optical technology of visible beams of light.

  10. Macroscopic Quantum Superposition in Cavity Optomechanics

    NASA Astrophysics Data System (ADS)

    Liao, Jie-Qiao; Tian, Lin

    2016-04-01

    Quantum superposition in mechanical systems is not only key evidence for macroscopic quantum coherence, but can also be utilized in modern quantum technology. Here we propose an efficient approach for creating macroscopically distinct mechanical superposition states in a two-mode optomechanical system. Photon hopping between the two cavity modes is modulated sinusoidally. The modulated photon tunneling enables an ultrastrong radiation-pressure force acting on the mechanical resonator, and hence significantly increases the mechanical displacement induced by a single photon. We study systematically the generation of the Yurke-Stoler-like states in the presence of system dissipations. We also discuss the experimental implementation of this scheme.

  11. Entanglement routers using macroscopic singlets.

    PubMed

    Bayat, Abolfazl; Bose, Sougato; Sodano, Pasquale

    2010-10-29

    We propose a mechanism where high entanglement between very distant boundary spins is generated by suddenly connecting two long Kondo spin chains. We show that this procedure provides an efficient way to route entanglement between multiple distant sites. We observe that the key features of the entanglement dynamics of the composite spin chain are well described by a simple model of two singlets, each formed by two spins. The proposed routing mechanism is a footprint of the emergence of a Kondo cloud in a Kondo system and can be engineered and observed in varied physical settings.

  12. Microscopic versus macroscopic approaches to non-equilibrium systems

    NASA Astrophysics Data System (ADS)

    Derrida, Bernard

    2011-01-01

    The one-dimensional symmetric simple exclusion process (SSEP) is one of the very few exactly soluble models of non-equilibrium statistical physics. It describes a system of particles which diffuse with hard core repulsion on a one-dimensional lattice in contact with two reservoirs of particles at unequal densities. The goal of this paper is to review the two main approaches which lead to the exact expression of the large deviation functional of the density of the SSEP in its steady state: a microscopic approach (based on the matrix product ansatz and an additivity property) and a macroscopic approach (based on the macroscopic fluctuation theory of Bertini, De Sole, Gabrielli, Jona-Lasinio and Landim).

  13. Indirect measurement of interfacial melting from macroscopic ice observations.

    PubMed

    Saruya, Tomotaka; Kurita, Kei; Rempel, Alan W

    2014-06-01

    Premelted water that is adsorbed to particle surfaces and confined to capillary regions remains in the liquid state well below the bulk melting temperature and can supply the segregated growth of ice lenses. Using macroscopic measurements of ice-lens initiation position in step-freezing experiments, we infer how the nanometer-scale thicknesses of premelted films depend on temperature depression below bulk melting. The interfacial interactions between ice, liquid, and soda-lime glass particles exhibit a power-law behavior that suggests premelting in our system is dominated by short-range electrostatic forces. Using our inferred film thicknesses as inputs to a simple force-balance model with no adjustable parameters, we obtain good quantitative agreement between numerical predictions and observed ice-lens thickness. Macroscopic observations of lensing behavior have the potential as probes of premelting behavior in other systems.

  14. Estimation of ion channel kinetics from fluctuations of macroscopic currents.

    PubMed

    Moffatt, Luciano

    2007-07-01

    For single channel recordings, the maximum likelihood estimation (MLE) of kinetic rates and conductance is well established. A direct extrapolation of this method to macroscopic currents is computationally prohibitive: it scales as a power of the number of channels. An approximated MLE that ignored the local time correlation of the data has been shown to provide estimates of the kinetic parameters. In this article, an improved approximated MLE that takes into account the local time correlation is proposed. This method estimates the channel kinetics using both the time course and the random fluctuations of the macroscopic current generated by a homogeneous population of ion channels under white noise. It allows arbitrary kinetic models and stimulation protocols. The application of the proposed algorithm to simulated data from a simple three-state model on nonstationary conditions showed reliable estimates of all the kinetic constants, the conductance and the number of channels, and reliable values for the standard error of those estimates. Compared to the previous approximated MLE, it reduces by a factor of 10 the amount of data needed to secure a given accuracy and it can even determine the kinetic rates in macroscopic stationary conditions.

  15. Estimation of Ion Channel Kinetics from Fluctuations of Macroscopic Currents

    PubMed Central

    Moffatt, Luciano

    2007-01-01

    For single channel recordings, the maximum likelihood estimation (MLE) of kinetic rates and conductance is well established. A direct extrapolation of this method to macroscopic currents is computationally prohibitive: it scales as a power of the number of channels. An approximated MLE that ignored the local time correlation of the data has been shown to provide estimates of the kinetic parameters. In this article, an improved approximated MLE that takes into account the local time correlation is proposed. This method estimates the channel kinetics using both the time course and the random fluctuations of the macroscopic current generated by a homogeneous population of ion channels under white noise. It allows arbitrary kinetic models and stimulation protocols. The application of the proposed algorithm to simulated data from a simple three-state model on nonstationary conditions showed reliable estimates of all the kinetic constants, the conductance and the number of channels, and reliable values for the standard error of those estimates. Compared to the previous approximated MLE, it reduces by a factor of 10 the amount of data needed to secure a given accuracy and it can even determine the kinetic rates in macroscopic stationary conditions. PMID:17416622

  16. Macroscopic Quantum Cotunneling of Phase Slips

    NASA Astrophysics Data System (ADS)

    Belkin, Andrey; Belkin, Maxim; Vakaryuk, Victor; Khlebnikov, Sergei; Bezryadin, Alexey

    2014-03-01

    Quantum phenomena that do not have analogues in the classical world include quantum superposition and tunneling. Despite significant efforts invested into demonstration of quantum effects at the macroscopic level, the main principles that govern the transition from classical to quantum are not well understood. Here we report a study of macroscopic quantum tunneling of phase slips that involve both superconducting and normal degrees of freedom in a superconducting nanowire loop. We discover that in addition to single phase slips that unwind the phase difference along the loop by 2 π, there are transitions that change the phase by 4 π. Experimentally we identify the regime in which, surprisingly, 4 π phase slips are more likely than 2 π ones. We interpret our observations in terms of macroscopic cotunneling effect defined as an exact synchronization of two macroscopic phase slip events. The work was supported by grant the DOE Award No. DE-FG0207ER46453, and the NSF No. DMR10-05645

  17. Berkeley Experiments on Superfluid Macroscopic Quantum Effects

    SciTech Connect

    Packard, Richard

    2006-09-07

    This paper provides a brief history of the evolution of the Berkeley experiments on macroscopic quantum effects in superfluid helium. The narrative follows the evolution of the experiments proceeding from the detection of single vortex lines to vortex photography to quantized circulation in 3He to Josephson effects and superfluid gyroscopes in both 4He and 3He.

  18. Nonlocal correlations in a macroscopic measurement scenario

    NASA Astrophysics Data System (ADS)

    Kunkri, Samir; Banik, Manik; Ghosh, Sibasish

    2017-02-01

    Nonlocality is one of the main characteristic features of quantum systems involving more than one spatially separated subsystem. It is manifested theoretically as well as experimentally through violation of some local realistic inequality. On the other hand, classical behavior of all physical phenomena in the macroscopic limit gives a general intuition that any physical theory for describing microscopic phenomena should resemble classical physics in the macroscopic regime, the so-called macrorealism. In the 2-2-2 scenario (two parties, with each performing two measurements and each measurement having two outcomes), contemplating all the no-signaling correlations, we characterize which of them would exhibit classical (local realistic) behavior in the macroscopic limit. Interestingly, we find correlations which at the single-copy level violate the Bell-Clauser-Horne-Shimony-Holt inequality by an amount less than the optimal quantum violation (i.e., Cirel'son bound 2 √{2 } ), but in the macroscopic limit gives rise to a value which is higher than 2 √{2 } . Such correlations are therefore not considered physical. Our study thus provides a sufficient criterion to identify some of unphysical correlations.

  19. [Macroscopic hematuria in an adolescent in Chad].

    PubMed

    Ballivet de Régloix, S; Maurin, O; Douniama Ondaï, C

    2012-01-01

    We report the case of a 16-year-old Chadian boy referred for chronic macroscopic hematuria and dysuria, diagnosed as urinary schistosomiasis, contracted while bathing in contaminated fresh water. The diagnostic approach and treatment in light of the limited resources available in Africa are described in detail.

  20. Collective Phenomena in Macroscopic Systems

    NASA Astrophysics Data System (ADS)

    Bertin, G.; Pozzoli, R.; Romé, M.; Sreenivasan, K. R.

    2007-08-01

    A hypothesis of the magnetostatic turbulence and its implications of astrophysics / D.D. Ryutov and B.A. Remingtonn-- Coherent structures and turbulence in electron plasmas / M. Rome ... [et al.] -- Self-organization of non-linear vortices in plasma lens for ion-beam-focusing in crossed radial electrical and longitudinal magnetic fields / V. Maslov, I. Onishchenko and A. Goncharov -- Collective processes at kinetic levels in dusty plasmas / P.K. Shukla and B. Eliasson -- Magnetic field generation in anisotropic relativistic plasma regimes / F. Pegoraro, F. Califano and D. del Sarto -- Generation and observation of coherent, long-lived structures in a laser-plasma channel / T. V. Liseykina ... [et al.] -- Theoretical resolution of magnetic reconnection in high energy plasmas / B. Coppi -- The power of being flat: conformal invariance in two-dimensional turbulence / A. Celani -- Stochastic resonance: from climate to biology / R. Benzi -- Energy-enstrophy theory for coupled fluid/rotating sphere system-exact solutions for super-rotations / C. C. Lim -- Thermophoretic convection of silica nanoparticles / A. Vailati ... [et al.] -- Fluctuations and pattern formation in fluids with competing interactions / A. Imperio, D. Pini and L. Reatto -- Alternatives and paradoxes in rotational and gravitational instabilities / J.P. Goedbloed -- Poynting jets and MHD winds from rapidly rotating magnetized stars / R.V.E. Lovelace, M.M. Romanova, G.V. Ustyugova and A.V. Koldoba -- Turbulence and transport in astrophysical accretion disks / J.M. Stone -- Gravitational instabilities in gaseous discs and the formation of supermassive Black Hole seeds at high redshifts / G. Lodato -- Fine Structure and Dynamics of Sunspot Penumbra / M. Ryutova, T. Berger and A. Title -- Phase Mixing in Mond / L. Ciotti, C. Nipoti and P. Londrillo -- MHD simulations of jet acceleration: the role of disk resistivity / G. Bodo ... [et al.] -- Hamiltonian structure of a collisionless reconnection model valid

  1. Stochastic and Macroscopic Thermodynamics of Strongly Coupled Systems

    NASA Astrophysics Data System (ADS)

    Jarzynski, Christopher

    2017-01-01

    We develop a thermodynamic framework that describes a classical system of interest S that is strongly coupled to its thermal environment E . Within this framework, seven key thermodynamic quantities—internal energy, entropy, volume, enthalpy, Gibbs free energy, heat, and work—are defined microscopically. These quantities obey thermodynamic relations including both the first and second law, and they satisfy nonequilibrium fluctuation theorems. We additionally impose a macroscopic consistency condition: When S is large, the quantities defined within our framework scale up to their macroscopic counterparts. By satisfying this condition, we demonstrate that a unifying framework can be developed, which encompasses both stochastic thermodynamics at one end, and macroscopic thermodynamics at the other. A central element in our approach is a thermodynamic definition of the volume of the system of interest, which converges to the usual geometric definition when S is large. We also sketch an alternative framework that satisfies the same consistency conditions. The dynamics of the system and environment are modeled using Hamilton's equations in the full phase space.

  2. Macroscopic noncontextuality as a principle for almost-quantum correlations

    NASA Astrophysics Data System (ADS)

    Henson, Joe; Sainz, Ana Belén

    2015-04-01

    Quantum mechanics allows only certain sets of experimental results (or "probabilistic models") for Bell-type quantum nonlocality experiments. A derivation of this set from simple physical or information theoretic principles would represent an important step forward in our understanding of quantum mechanics, and this problem has been intensely investigated in recent years. "Macroscopic locality," which requires the recovery of locality in the limit of large numbers of trials, is one of several principles discussed in the literature that place a bound on the set of quantum probabilistic models. A similar question can also be asked about probabilistic models for the more general class of quantum contextuality experiments. Here, we extend the macroscopic locality principle to this more general setting, using the hypergraph approach of Acín, Fritz, Leverrier, and Sainz [Comm. Math. Phys. 334(2), 533-628 (2015), 10.1007/s00220-014-2260-1], which provides a framework to study both phenomena of nonlocality and contextuality in a unified manner. We find that the set of probabilistic models allowed by our macroscopic noncontextuality principle is equivalent to an important and previously studied set in this formalism, which is slightly larger than the quantum set. In the particular case of Bell scenarios, this set is equivalent to the set of "almost-quantum" models, which is of particular interest since the latter was recently shown to satisfy all but one of the principles that have been proposed to bound quantum probabilistic models, without being implied by any of them (or even their conjunction). Our condition is the first characterization of the almost-quantum set from a simple physical principle.

  3. Microscopic time-reversibility and macroscopic irreversibility: Still a paradox

    SciTech Connect

    Posch, H.A.; Dellago, Ch.; Hoover, W.G.; Kum, O. |

    1995-09-13

    Microscopic time reversibility and macroscopic irreversibility are a paradoxical combination. This was first observed by J. Loschmidt in 1876 and was explained, for conservative systems, by L. Boltzmann the following year. Both these features are also present in modern simulations of classic many-body systems in steady nonequilibrium states. We illustrate them here for the simplest possible models, a continuous one-dimensional model of field-driven diffusion, the so-called driven Lorentz gas or Galton Board, and an ergodic time reversible dissipative map.

  4. Characterization of particulate-phase polycyclic aromatic hydrocarbons emitted from incense burning and their bioreactivity in RAW264.7 macrophage.

    PubMed

    Yang, Tzu-Ting; Ho, Su-Chen; Chuang, Lu-Te; Chuang, Hsiao-Chi; Li, Ya-Ting; Wu, Jyun-Jie

    2017-01-01

    This study investigated the effects of particle-bound polycyclic aromatic hydrocarbons (PAHs) produced from burning three incense types on and their bioreactivity in the RAW 264.7 murine macrophage cell line. Gas chromatography/mass spectrometry was used to determine the levels of 16 identified PAHs. Macrophages were exposed to incense particle extracts at concentrations of 0, 3.125, 6.25, 12.5, 25, 50, and 100 μg/mL for 24 h. After exposure, cell viability and nitric oxide (NO) and inflammatory mediator [tumor necrosis factor (TNF)-α] production of the cells were examined. The mean atomic hydrogen (H) to carbon (C) ratios in the environmentally friendly, binchotan charcoal, and lao shan incenses were 0.69, 1.13, and 1.71, respectively. PAH and total toxic equivalent (TEQ) mass fraction in the incenses ranged from 137.84 to 231.00 and 6.73-26.30 pg/μg, respectively. The exposure of RAW 264.7 macrophages to incense particles significantly increased TNF-α and NO production and reduced cell viability. The cells treated with particles collected from smoldering the environmentally friendly incense produced more NO and TNF-α compared to other incenses. Additionally, the TEQ of fluoranthene (FL), pyrene (Pyr), benzo[a]anthracene (BaA), chrysene (Chr), benzo[b]fluoranthene (BbF), benzo[k]fluoranthene (BkF), benzo[a]pyrene (BaP), indeno[1,2,3-cd]pyrene (INP), dibenz[a,h]anthracene (DBA), and benzo[g,h,i]perylene [B(ghi)P] had a significant correlation (R(2) = 0.64-0.98, P < 0.05) with NO and TNF-α production. The current findings indicate that incense particle-bound PAHs are biologically active and that burning an incense with a lower H/C ratio caused higher bioreactivity. The stimulatory effect of PAH-containing particles on molecular mechanisms of inflammation are critical for future study. Copyright © 2016 Elsevier Ltd. All rights reserved.

  5. Macroscopic entrainment of periodically forced oscillatory ensembles.

    PubMed

    Popovych, Oleksandr V; Tass, Peter A

    2011-03-01

    Large-amplitude oscillations of macroscopic neuronal signals, such as local field potentials and electroencephalography or magnetoencephalography signals, are commonly considered as being generated by a population of mutually synchronized neurons. In a computational study in generic networks of phase oscillators and bursting neurons, however, we show that this common belief may be wrong if the neuronal population receives an external rhythmic input. The latter may stem from another neuronal population or an external, e.g., sensory or electrical, source. In that case the population field potential may be entrained by the rhythmic input, whereas the individual neurons are phase desynchronized both mutually and with their field potential. Intriguingly, the corresponding large-amplitude oscillations of the population mean field are generated by pairwise desynchronized neurons oscillating at frequencies shifted far away from the frequency of the macroscopic field potential.

  6. Macroscopic transport by synthetic molecular machines

    NASA Astrophysics Data System (ADS)

    Berná, José; Leigh, David A.; Lubomska, Monika; Mendoza, Sandra M.; Pérez, Emilio M.; Rudolf, Petra; Teobaldi, Gilberto; Zerbetto, Francesco

    2005-09-01

    Nature uses molecular motors and machines in virtually every significant biological process, but demonstrating that simpler artificial structures operating through the same gross mechanisms can be interfaced with-and perform physical tasks in-the macroscopic world represents a significant hurdle for molecular nanotechnology. Here we describe a wholly synthetic molecular system that converts an external energy source (light) into biased brownian motion to transport a macroscopic cargo and do measurable work. The millimetre-scale directional transport of a liquid on a surface is achieved by using the biased brownian motion of stimuli-responsive rotaxanes (`molecular shuttles') to expose or conceal fluoroalkane residues and thereby modify surface tension. The collective operation of a monolayer of the molecular shuttles is sufficient to power the movement of a microlitre droplet of diiodomethane up a twelve-degree incline.

  7. Macroscopic Quantum Superposition in Cavity Optomechanics

    NASA Astrophysics Data System (ADS)

    Liao, Jie-Qiao; Tian, Lin

    Quantum superposition in mechanical systems is not only a key evidence of macroscopic quantum coherence, but can also be utilized in modern quantum technology. Here we propose an efficient approach for creating macroscopically distinct mechanical superposition states in a two-mode optomechanical system. Photon hopping between the two cavity-modes is modulated sinusoidally. The modulated photon tunneling enables an ultrastrong radiation-pressure force acting on the mechanical resonator, and hence significantly increases the mechanical displacement induced by a single photon. We present systematic studies on the generation of the Yurke-Stoler-like states in the presence of system dissipations. The state generation method is general and it can be implemented with either optomechanical or electromechanical systems. The authors are supported by the National Science Foundation under Award No. NSF-DMR-0956064 and the DARPA ORCHID program through AFOSR.

  8. Macroscopic invisibility cloaking of visible light

    PubMed Central

    Chen, Xianzhong; Luo, Yu; Zhang, Jingjing; Jiang, Kyle; Pendry, John B.; Zhang, Shuang

    2011-01-01

    Invisibility cloaks, which used to be confined to the realm of fiction, have now been turned into a scientific reality thanks to the enabling theoretical tools of transformation optics and conformal mapping. Inspired by those theoretical works, the experimental realization of electromagnetic invisibility cloaks has been reported at various electromagnetic frequencies. All the invisibility cloaks demonstrated thus far, however, have relied on nano- or micro-fabricated artificial composite materials with spatially varying electromagnetic properties, which limit the size of the cloaked region to a few wavelengths. Here, we report the first realization of a macroscopic volumetric invisibility cloak constructed from natural birefringent crystals. The cloak operates at visible frequencies and is capable of hiding, for a specific light polarization, three-dimensional objects of the scale of centimetres and millimetres. Our work opens avenues for future applications with macroscopic cloaking devices. PMID:21285954

  9. Macroscopic invisibility cloak for visible light.

    PubMed

    Zhang, Baile; Luo, Yuan; Liu, Xiaogang; Barbastathis, George

    2011-01-21

    Invisibility cloaks, a subject that usually occurs in science fiction and myths, have attracted wide interest recently because of their possible realization. The biggest challenge to true invisibility is known to be the cloaking of a macroscopic object in the broad range of wavelengths visible to the human eye. Here we experimentally solve this problem by incorporating the principle of transformation optics into a conventional optical lens fabrication with low-cost materials and simple manufacturing techniques. A transparent cloak made of two pieces of calcite is created. This cloak is able to conceal a macroscopic object with a maximum height of 2 mm, larger than 3500 free-space-wavelength, inside a transparent liquid environment. Its working bandwidth encompassing red, green, and blue light is also demonstrated.

  10. Macroscopic invisibility cloaking of visible light.

    PubMed

    Chen, Xianzhong; Luo, Yu; Zhang, Jingjing; Jiang, Kyle; Pendry, John B; Zhang, Shuang

    2011-02-01

    Invisibility cloaks, which used to be confined to the realm of fiction, have now been turned into a scientific reality thanks to the enabling theoretical tools of transformation optics and conformal mapping. Inspired by those theoretical works, the experimental realization of electromagnetic invisibility cloaks has been reported at various electromagnetic frequencies. All the invisibility cloaks demonstrated thus far, however, have relied on nano- or micro-fabricated artificial composite materials with spatially varying electromagnetic properties, which limit the size of the cloaked region to a few wavelengths. Here, we report the first realization of a macroscopic volumetric invisibility cloak constructed from natural birefringent crystals. The cloak operates at visible frequencies and is capable of hiding, for a specific light polarization, three-dimensional objects of the scale of centimetres and millimetres. Our work opens avenues for future applications with macroscopic cloaking devices.

  11. Macroscopic quantum mechanics in a classical spacetime.

    PubMed

    Yang, Huan; Miao, Haixing; Lee, Da-Shin; Helou, Bassam; Chen, Yanbei

    2013-04-26

    We apply the many-particle Schrödinger-Newton equation, which describes the coevolution of a many-particle quantum wave function and a classical space-time geometry, to macroscopic mechanical objects. By averaging over motions of the objects' internal degrees of freedom, we obtain an effective Schrödinger-Newton equation for their centers of mass, which can be monitored and manipulated at quantum levels by state-of-the-art optomechanics experiments. For a single macroscopic object moving quantum mechanically within a harmonic potential well, its quantum uncertainty is found to evolve at a frequency different from its classical eigenfrequency-with a difference that depends on the internal structure of the object-and can be observable using current technology. For several objects, the Schrödinger-Newton equation predicts semiclassical motions just like Newtonian physics, yet quantum uncertainty cannot be transferred from one object to another.

  12. Probing Macroscopic Realism via Ramsey Correlation Measurements

    NASA Astrophysics Data System (ADS)

    Asadian, A.; Brukner, C.; Rabl, P.

    2014-05-01

    We describe a new and experimentally feasible protocol for performing fundamental tests of quantum mechanics with massive objects. In our approach, a single two-level system is used to probe the motion of a nanomechanical resonator via multiple Ramsey interference measurements. This scheme enables the measurement of modular variables of macroscopic continuous-variable systems; we show that correlations thereof violate a Leggett-Garg inequality and can be applied for tests of quantum contextuality. Our method can be implemented with a variety of different solid-state or photonic qubit-resonator systems, and it provides a clear experimental signature to distinguish the predictions of quantum mechanics from those of other alternative theories at a macroscopic scale.

  13. Macroscopic Invisibility Cloak for Visible Light

    NASA Astrophysics Data System (ADS)

    Zhang, Baile; Luo, Yuan; Liu, Xiaogang; Barbastathis, George

    2011-01-01

    Invisibility cloaks, a subject that usually occurs in science fiction and myths, have attracted wide interest recently because of their possible realization. The biggest challenge to true invisibility is known to be the cloaking of a macroscopic object in the broad range of wavelengths visible to the human eye. Here we experimentally solve this problem by incorporating the principle of transformation optics into a conventional optical lens fabrication with low-cost materials and simple manufacturing techniques. A transparent cloak made of two pieces of calcite is created. This cloak is able to conceal a macroscopic object with a maximum height of 2 mm, larger than 3500 free-space-wavelength, inside a transparent liquid environment. Its working bandwidth encompassing red, green, and blue light is also demonstrated.

  14. Quantum Communication Using Macroscopic Phase Entangled States

    DTIC Science & Technology

    2015-12-10

    goals of our program was to investigate several different ways in which to implement the Kerr medium that allows a single photon to change the phase ...E7(/(3+21(180%(5 ,QFOXGHDUHDFRGH 1 i. Quantum Communication Using Macroscopic Phase Entangled States Final Report Reporting...media that can produce a shift in the phase of a laser pulse provided that a single photon from another source and at a different frequency is also

  15. Evaluation of arthroscopy and macroscopic scoring

    PubMed Central

    af Klint, Erik; Catrina, Anca I; Matt, Peter; Neregråd, Petra; Lampa, Jon; Ulfgren, Ann-Kristin; Klareskog, Lars; Lindblad, Staffan

    2009-01-01

    Introduction Arthroscopy is a minimally invasive technique for retrieving synovial biopsies in rheumatology during the past 20 years. Vital for its use is continual evaluation of its safety and efficacy. Important for sampling is the fact of intraarticular variation for synovial markers. For microscopic measurements scoring systems have been developed and validated, but for macroscopic evaluations there is a need for further comprehensive description and validation of equivalent scoring systems. Methods We studied the complication rate and yield of arthroscopies performed at our clinic between 1998 and 2005. We also created and evaluated a macroscopic score set of instructions for synovitis. Results Of 408 procedures, we had two major and one minor complication; two haemarthrosis and one wound infection, respectively. Pain was most often not a problem, but 12 procedures had to be prematurely ended due to pain. Yield of biopsies adequate for histology were 83% over all, 94% for knee joints and 34% for smaller joints. Video printer photographs of synovium taken during arthroscopy were jointly and individually reviewed by seven raters in several settings, and intra and inter rater variation was calculated. A macroscopic synovial scoring system for arthroscopy was created (Macro-score), based upon hypertrophy, vascularity and global synovitis. These written instructions were evaluated by five control-raters, and when evaluated individual parameters were without greater intra or inter rater variability, indicating that the score is reliable and easy to use. Conclusions In our hands rheumatologic arthroscopy is a safe method with very few complications. For knee joints it is a reliable method to retrieve representative tissue in clinical longitudinal studies. We also created an easy to use macroscopic score, that needs to be validated against other methodologies. We hope it will be of value in further developing international standards in this area. PMID:19490631

  16. Testing quantum behaviour at the macroscopic level

    NASA Astrophysics Data System (ADS)

    Ghirardi, Giancarlo

    1994-07-01

    We reconsider recent proposals to test macro realism versus quantum mechanics in experiments involving noninvasive measurement processes on a Squid. In spite of the fact that we are able to prove that the proposed experiments do not represent a test of macro realism but simply of macroscopic quantum coherence we call attention to their extreme conceptual relevance. We also discuss some recent criticisms which have been raised against the considered proposal and we show that they are not relevant.

  17. Polarization properties of macroscopic Bell states

    SciTech Connect

    Iskhakov, Timur Sh.; Chekhova, Maria V.; Leuchs, Gerd

    2011-10-15

    The four two-photon polarization Bell states are one of the main instruments in the toolbox of quantum optics and quantum information. In our experiment we produce their multiphoton counterparts, macroscopic Bell states. These are relevant to applications in quantum technologies because they provide efficient interactions with material quantum objects and with each other via nonlinear interactions. Furthermore, we study the polarization properties of these states using the concept of second-order degree of polarization and its higher-order generalization.

  18. Shot Noise in Linear Macroscopic Resistors

    NASA Astrophysics Data System (ADS)

    Gomila, G.; Pennetta, C.; Reggiani, L.; Sampietro, M.; Ferrari, G.; Bertuccio, G.

    2004-06-01

    We report on direct experimental evidence of shot noise in a linear macroscopic resistor. The origin of the shot noise comes from the fluctuation of the total number of charge carriers inside the resistor associated with their diffusive motion under the condition that the dielectric relaxation time becomes longer than the dynamic transit time. The present results show that neither potential barriers nor the absence of inelastic scattering are necessary to observe shot noise in electronic devices.

  19. Active Polar Two-Fluid Macroscopic Dynamics

    NASA Astrophysics Data System (ADS)

    Pleiner, Harald; Svensek, Daniel; Brand, Helmut R.

    2014-03-01

    We study the dynamics of systems with a polar dynamic preferred direction. Examples include the pattern-forming growth of bacteria (in a solvent, shoals of fish (moving in water currents), flocks of birds and migrating insects (flying in windy air). Because the preferred direction only exists dynamically, but not statically, the macroscopic variable of choice is the macroscopic velocity associated with the motion of the active units. We derive the macroscopic equations for such a system and discuss novel static, reversible and irreversible cross-couplings connected to this second velocity. We find a normal mode structure quite different compared to the static descriptions, as well as linear couplings between (active) flow and e.g. densities and concentrations due to the genuine two-fluid transport derivatives. On the other hand, we get, quite similar to the static case, a direct linear relation between the stress tensor and the structure tensor. This prominent ``active'' term is responsible for many active effects, meaning that our approach can describe those effects as well. In addition, we also deal with explicitly chiral systems, which are important for many active systems. In particular, we find an active flow-induced heat current specific for the dynamic chiral polar order.

  20. Pathways toward understanding Macroscopic Quantum Phenomena

    NASA Astrophysics Data System (ADS)

    Hu, B. L.; Subaşi, Y.

    2013-06-01

    Macroscopic quantum phenomena refer to quantum features in objects of 'large' sizes, systems with many components or degrees of freedom, organized in some ways where they can be identified as macroscopic objects. This emerging field is ushered in by several categories of definitive experiments in superconductivity, electromechanical systems, Bose-Einstein condensates and others. Yet this new field which is rich in open issues at the foundation of quantum and statistical physics remains little explored theoretically (with the important exception of the work of A J Leggett [1], while touched upon or implied by several groups of authors represented in this conference. Our attitude differs in that we believe in the full validity of quantum mechanics stretching from the testable micro to meso scales, with no need for the introduction of new laws of physics.) This talk summarizes our thoughts in attempting a systematic investigation into some key foundational issues of quantum macroscopic phenomena, with the goal of ultimately revealing or building a viable theoretical framework. Three major themes discussed in three intended essays are the large N expansion [2], the correlation hierarchy [3] and quantum entanglement [4]. We give a sketch of the first two themes and then discuss several key issues in the consideration of macro and quantum, namely, a) recognition that there exist many levels of structure in a composite body and only by judicious choice of an appropriate set of collective variables can one give the best description of the dynamics of a specific level of structure. Capturing the quantum features of a macroscopic object is greatly facilitated by the existence and functioning of these collective variables; b) quantum entanglement, an exclusively quantum feature [5], is known to persist to high temperatures [6] and large scales [7] under certain conditions, and may actually decrease with increased connectivity in a quantum network [8]. We use entanglement as a

  1. Interdisciplinary applications of network dynamics: From microscopic to Macroscopic

    NASA Astrophysics Data System (ADS)

    Jeong, Hawoong

    ``Everything touches everything.'' We are living in a connected world, which has been modeled successfully by complex networks. Ever since, network science becomes new paradigm for understanding our connected yet complex world. After investigating network structure itself, our focus naturally moved to dynamics of/on the network because our connected world is not static but dynamic. In this presentation, we will briefly review the historical development of network science and show some applications of network dynamics ranging from microscopic (metabolic engineering, PNAS, 104 13638) to macroscopic scale (price of anarchy in transportation network, Phys.Rev.Lett. 101 128701). Supported by National Research Foundation of Korea through Grant No. 2011-0028908.

  2. Effects of Microstructure Variations on Macroscopic Terahertz Metafilm Properties

    DOE PAGES

    O'Hara, John F.; Smirnova, Evgenya; Azad, Abul K.; ...

    2007-01-01

    The properties of planar, single-layer metamaterials, or metafilms, are studied by varying the structural components of the split-ring resonators used to comprise the overall medium. Measurements and simulations reveal how minor design variations in split-ring resonator structures can result in significant changes in the macroscopic properties of the metafilm. A transmission-line/circuit model is also used to clarify some of the behavior and design limitations of the metafilms. Though our results are illustrated in the terahertz frequency range, the work has broader implications, particularly with respect to filtering, modulation, and switching devices.

  3. Macroscopic intrinsic stress formation in amorphous CuTi films

    NASA Astrophysics Data System (ADS)

    Dina, S.; Geyer, U.; Minnigerode, G. V.

    During the growth of amorphous CuTi films prepared under UHV conditions onto quartz substrates, macroscopic intrinsic stresses are generated. The intrinsic stresses are measured in situ as a function of the film thickness for a wide range of substrate temperatures and film compositions. Depending on the preparation conditions, compressive stresses during the early growth stages and thickness-independent tensile stresses at higher thicknesses are observed. Films with Cu-content above 50 at% deposited at room temperature do not generate any detectable intrinsic stresses. The results are discussed in terms of a model for the growth of amorphous binary alloy films published earlier.

  4. Macroscopic Fluctuation Theory for Stationary Non-Equilibrium States

    NASA Astrophysics Data System (ADS)

    Bertini, L.; de Sole, A.; Gabrielli, D.; Jona-Lasinio, G.; Landim, C.

    2002-05-01

    We formulate a dynamical fluctuation theory for stationary non-equilibrium states (SNS) which is tested explicitly in stochastic models of interacting particles. In our theory a crucial role is played by the time reversed dynamics. Within this theory we derive the following results: the modification of the Onsager-Machlup theory in the SNS; a general Hamilton-Jacobi equation for the macroscopic entropy; a non-equilibrium, nonlinear fluctuation dissipation relation valid for a wide class of systems; an H theorem for the entropy. We discuss in detail two models of stochastic boundary driven lattice gases: the zero range and the simple exclusion processes. In the first model the invariant measure is explicitly known and we verify the predictions of the general theory. For the one dimensional simple exclusion process, as recently shown by Derrida, Lebowitz, and Speer, it is possible to express the macroscopic entropy in terms of the solution of a nonlinear ordinary differential equation; by using the Hamilton-Jacobi equation, we obtain a logically independent derivation of this result.

  5. General framework for quantum macroscopicity in terms of coherence

    NASA Astrophysics Data System (ADS)

    Yadin, Benjamin; Vedral, Vlatko

    2016-02-01

    We propose a universal language to assess macroscopic quantumness in terms of coherence, with a set of conditions that should be satisfied by any measure of macroscopic coherence. We link the framework to the resource theory of asymmetry. We show that the quantum Fisher information gives a good measure of macroscopic coherence, enabling a rigorous justification of a previously proposed measure of macroscopicity. This picture lets us draw connections between different measures of macroscopicity and evaluate them; we show that another widely studied measure fails one of our criteria.

  6. Macroscopic Two-Dimensional Polariton Condensates

    NASA Astrophysics Data System (ADS)

    Ballarini, Dario; Caputo, Davide; Muñoz, Carlos Sánchez; De Giorgi, Milena; Dominici, Lorenzo; Szymańska, Marzena H.; West, Kenneth; Pfeiffer, Loren N.; Gigli, Giuseppe; Laussy, Fabrice P.; Sanvitto, Daniele

    2017-05-01

    We report a record-size, two-dimensional polariton condensate of a fraction of a millimeter radius free from the presence of an exciton reservoir. This macroscopically occupied state is formed by the ballistically expanding polariton flow that relaxes and condenses over a large area outside of the excitation spot. The density of this trap-free condensate is <1 polariton /μ m2 , reducing the phase noise induced by the interaction energy. Moreover, the backflow effect, recently predicted for the nonparabolic polariton dispersion, is observed here for the first time in the fast-expanding wave packet.

  7. Observation of complementarity in the macroscopic domain

    SciTech Connect

    Cao Dezhong; Xiong Jun; Tang Hua; Lin Lufang; Zhang Suheng; Wang Kaige

    2007-09-15

    Complementarity is usually considered as a phenomenon of microscopic systems. In this paper, we report an experimental observation of complementarity in correlated double-slit interference with a pseudothermal light source. The thermal light beam is divided into test and reference beams which are correlated with each other. The double slit is set in the test arm, and an interference pattern can be observed in the intensity correlation between the two arms. The experimental results show that the disappearance of the interference fringe depends on whether which-path information is gained through the reference arm. The experiment therefore shows complementarity occurring in the macroscopic domain.

  8. Compressor Has No Moving Macroscopic Parts

    NASA Technical Reports Server (NTRS)

    Gasser, Max

    1995-01-01

    Compressor containing no moving macroscopic parts functions by alternating piston and valve actions of successive beds of magnetic particles. Fabricated easily because no need for precisely fitting parts rotating or sliding on each other. Also no need for lubricant fluid contaminating fluid to be compressed. Compressor operates continuously, eliminating troublesome on/off cycling of other compressors, and decreasing consumption of energy. Phased cells push fluid from bottom to top, adding increments of pressure. Each cell contains magnetic powder particles loose when electromagnet coil deenergized, but tightly packed when coil energized.

  9. Compressor Has No Moving Macroscopic Parts

    NASA Technical Reports Server (NTRS)

    Gasser, Max

    1995-01-01

    Compressor containing no moving macroscopic parts functions by alternating piston and valve actions of successive beds of magnetic particles. Fabricated easily because no need for precisely fitting parts rotating or sliding on each other. Also no need for lubricant fluid contaminating fluid to be compressed. Compressor operates continuously, eliminating troublesome on/off cycling of other compressors, and decreasing consumption of energy. Phased cells push fluid from bottom to top, adding increments of pressure. Each cell contains magnetic powder particles loose when electromagnet coil deenergized, but tightly packed when coil energized.

  10. Rainbow correlation imaging with macroscopic twin beam

    NASA Astrophysics Data System (ADS)

    Allevi, Alessia; Bondani, Maria

    2017-06-01

    We present the implementation of a correlation-imaging protocol that exploits both the spatial and spectral correlations of macroscopic twin-beam states generated by parametric downconversion. In particular, the spectral resolution of an imaging spectrometer coupled to an EMCCD camera is used in a proof-of-principle experiment to encrypt and decrypt a simple code to be transmitted between two parties. In order to optimize the trade-off between visibility and resolution, we provide the characterization of the correlation images as a function of the spatio-spectral properties of twin beams generated at different pump power values.

  11. Macroscopic Two-Dimensional Polariton Condensates.

    PubMed

    Ballarini, Dario; Caputo, Davide; Muñoz, Carlos Sánchez; De Giorgi, Milena; Dominici, Lorenzo; Szymańska, Marzena H; West, Kenneth; Pfeiffer, Loren N; Gigli, Giuseppe; Laussy, Fabrice P; Sanvitto, Daniele

    2017-05-26

    We report a record-size, two-dimensional polariton condensate of a fraction of a millimeter radius free from the presence of an exciton reservoir. This macroscopically occupied state is formed by the ballistically expanding polariton flow that relaxes and condenses over a large area outside of the excitation spot. The density of this trap-free condensate is <1  polariton/μm^{2}, reducing the phase noise induced by the interaction energy. Moreover, the backflow effect, recently predicted for the nonparabolic polariton dispersion, is observed here for the first time in the fast-expanding wave packet.

  12. A Macroscopic Realization of the Weak Interaction

    NASA Technical Reports Server (NTRS)

    Nishimori, Arito

    2003-01-01

    A.J.Leggett suggested in 1977 that a permanent electric dipole moment due to the parity-nonconserving electron-nucleon interaction, even though it is extremely small, could be measured in the superfluid He-3 B because the moment should be proportional to the size of the sample in this system. If this moment is observed, it will be the first example of a macroscopic realization of the weak interaction. In our planned experiments, a high electric field of up to 6 kV/cm is applied between two parallel electrodes in the He-3 sample. We expect to observe the NMR frequency of the lowest-lying spin-wave mode trapped by the liquid crystal-like texture of the B phase rotation axis in our geometry. The interaction of the electric field and the macroscopic permanent electric dipole moment, which is oriented along the rotation axis, will cause a small change in the texture and hence a small increase in the frequency of the spin wave mode. Besides the basic ideas, we present the purpose and the design of our first cell that is under construction.

  13. Quantum correlations of lights in macroscopic environments

    NASA Astrophysics Data System (ADS)

    Sua, Yong Meng

    This dissertation presents a detailed study in exploring quantum correlations of lights in macroscopic environments. We have explored quantum correlations of single photons, weak coherent states, and polarization-correlated/polarization-entangled photons in macroscopic environments. These included macroscopic mirrors, macroscopic photon number, spatially separated observers, noisy photons source and propagation medium with loss or disturbances. We proposed a measurement scheme for observing quantum correlations and entanglement in the spatial properties of two macroscopic mirrors using single photons spatial compass state. We explored the phase space distribution features of spatial compass states, such as chessboard pattern by using the Wigner function. The displacement and tilt correlations of the two mirrors were manifested through the propensities of the compass states. This technique can be used to extract Einstein-Podolsky-Rosen correlations (EPR) of the two mirrors. We then formulated the discrete-like property of the propensity P b(m,n), which can be used to explore environmental perturbed quantum jumps of the EPR correlations in phase space. With single photons spatial compass state, the variances in position and momentum are much smaller than standard quantum limit when using a Gaussian TEM 00 beam. We observed intrinsic quantum correlations of weak coherent states between two parties through balanced homodyne detection. Our scheme can be used as a supplement to decoy-state BB84 protocol and differential phase-shift QKD protocol. We prepared four types of bipartite correlations +/- cos2(theta1 +/- theta 2) that shared between two parties. We also demonstrated bits correlations between two parties separated by 10 km optical fiber. The bits information will be protected by the large quantum phase fluctuation of weak coherent states, adding another physical layer of security to these protocols for quantum key distribution. Using 10 m of highly nonlinear

  14. Macroscopic theory of heavy-ion fusion reactions

    NASA Astrophysics Data System (ADS)

    Hong, S.-W.; Lee, Y. J.; Kim, B. T.; Cha, D.

    1989-05-01

    We have studied the heavy-ion fusion reactions by a macroscopic model which was proposed by Bertsch several years ago. It employed the Newtonian dynamics and was constructed in such a way that the essential features of time-dependent Hartree-Fock results could be reproduced. We have applied the model to fusion of light heavy-ion systems leading to the same compound nucleus 56Ni. It is shown that the model, being incorporated with the angular-momentum-dependent extra-push energy of Swiatecki, can account well for the fusion cross sections up to very high energies where cross section decreases as energy increases, and that the main reason for the decrease is the opening of the low angular momentum window.

  15. The effect of head up tilting on bioreactance cardiac output and stroke volume readings using suprasternal transcutaneous Doppler as a control in healthy young adults.

    PubMed

    Zhang, Jie; Critchley, Lester A H; Lee, Daniel C W; Khaw, Kim S; Lee, Shara W Y

    2016-10-01

    To compare the performance of a bioreactance cardiac output (CO) monitor (NICOM) and transcutaneous Doppler (USCOM) during head up tilting (HUT). Healthy young adult subjects, age 22 ± 1 years, 7 male and 7 female, were tilted over 3-5 s from supine to 70° HUT, 30° HUT and back to supine. Positions were held for 3 min. Simultaneous readings of NICOM and USCOM were performed 30 s into each new position. Mean blood pressure (MBP), heart rate (HR), CO and stroke volume (SV), and thoracic fluid content (TFC) were recorded. Bland-Altman, percentage changes and analysis of variance for repeated measures were used for statistical analysis. Pre-tilt NICOM CO and SV readings (6.1 ± 1.0 L/min and 113 ± 25 ml) were higher than those from USCOM (4.1 ± 0.6 L/min and 77 ± 9 ml) (P < 0.001). Bland-Altman limits of agreement for CO were wide with a percentage error of 38 %. HUT increased MBP and HR (P < 0.001). CO and SV readings decreased with HUT. However, the percentage changes in USCOM and NICOM readings did not concur (P < 0.001). Whereas USCOM provided gravitational effect proportional changes in SV readings of 23 ± 15 % (30° half tilt) and 44 ± 11 % (70° near full tilt), NICOM changes did not being 28 ± 10 and 33 ± 11 %. TFC decreased linearly with HUT. The NICOM does not provide linear changes in SV as predicted by physiology when patients are tilted. Furthermore there is a lack of agreement with USCOM measurements at baseline and during tilting.

  16. Entangling macroscopic diamonds at room temperature: Bounds on the continuous-spontaneous-localization parameters

    NASA Astrophysics Data System (ADS)

    Belli, Sebastiano; Bonsignori, Riccarda; D'Auria, Giuseppe; Fant, Lorenzo; Martini, Mirco; Peirone, Simone; Donadi, Sandro; Bassi, Angelo

    2016-07-01

    A recent experiment [K. C. Lee et al., Science 334, 1253 (2011)], 10.1126/science.1211914 succeeded in detecting entanglement between two macroscopic specks of diamonds, separated by a macroscopic distance, at room temperature. This impressive result is a further confirmation of the validity of quantum theory in (at least parts of) the mesoscopic and macroscopic domain, and poses a challenge to collapse models, which predict a violation of the quantum superposition principle, which is bigger the larger the system. We analyze the experiment in the light of such models. We will show that the bounds placed by experimental data are weaker than those coming from matter-wave interferometry and noninterferometric tests of collapse models.

  17. Macromolecular recognition and macroscopic interactions by cyclodextrins.

    PubMed

    Harada, Akira; Takashima, Yoshinori

    2013-10-01

    Herein macromolecular recognition by cyclodextrins (CDs) is summarized. Recognition of macromolecules by CDs is classified as main-chain recognition or side-chain recognition. We found that CDs form inclusion complexes with various polymers with high selectivity. Polyrotaxanes in which many CDs are entrapped in a polymer chain were prepared. Tubular polymers were prepared from the polyrotaxanes. CDs were found to recognize side-chains of polymers selectively. CD host polymers were found to form gels with guest polymers in water. These gels showed self-healing properties. When azobenzene was used as a guest, the gel showed sol-gel transition by photoirradiation. When ferrocene was used, redox-responsive gels were obtained. Macroscopic self-assembly through molecular recognition has been discovered. Photoswitchable gel association and dissociation have been observed.

  18. Making Macroscopic Assemblies of Aligned Carbon Nanotubes

    NASA Technical Reports Server (NTRS)

    Smalley, Richard E.; Colbert, Daniel T.; Smith, Ken A.; Walters, Deron A.; Casavant, Michael J.; Qin, Xiaochuan; Yakobson, Boris; Hauge, Robert H.; Saini, Rajesh Kumar; Chiung, Wan-Ting; Huffman, Charles B.

    2005-01-01

    A method of aligning and assembling single-wall carbon nanotubes (SWNTs) to fabricate macroscopic structures has been invented. The method entails suspending SWNTs in a fluid, orienting the SWNTs by use of a magnetic and/or electric field, and then removing the aligned SWNTs from suspension in such a way as to assemble them while maintaining the alignment. SWNTs are essentially tubular extensions of fullerene molecules. It is desirable to assemble aligned SWNTs into macroscopic structures because the common alignment of the SWNTs in such a structure makes it possible to exploit, on a macroscopic scale, the unique mechanical, chemical, and electrical properties that individual oriented SWNTs exhibit at the molecular level. Because of their small size and high electrical conductivity, carbon nanotubes, and especially SWNTs, are useful for making electrical connectors in integrated circuits. Carbon nanotubes can be used as antennas at optical frequencies, and as probes in scanning tunneling microscopes, atomic-force microscopes, and the like. Carbon nanotubes can be used with or instead of carbon black in tires. Carbon nanotubes are useful as supports for catalysts. Ropes of SWNTs are metallic and, as such, are potentially useful in some applications in which electrical conductors are needed - for example, they could be used as additives in formulating electrically conductive paints. Finally, macroscopic assemblies of aligned SWNTs can serve as templates for the growth of more and larger structures of the same type. The great variety of tubular fullerene molecules and of the structures that could be formed by assembling them in various ways precludes a complete description of the present method within the limits of this article. It must suffice to present a typical example of the use of one of many possible variants of the method to form a membrane comprising SWNTs aligned substantially parallel to each other in the membrane plane. The apparatus used in this variant

  19. Macroscopically local correlations can violate information causality.

    PubMed

    Cavalcanti, Daniel; Salles, Alejo; Scarani, Valerio

    2010-01-01

    Although quantum mechanics is a very successful theory, its foundations are still a subject of intense debate. One of the main problems is that quantum mechanics is based on abstract mathematical axioms, rather than on physical principles. Quantum information theory has recently provided new ideas from which one could obtain physical axioms constraining the resulting statistics one can obtain in experiments. Information causality (IC) and macroscopic locality (ML) are two principles recently proposed to solve this problem. However, none of them were proven to define the set of correlations one can observe. In this study, we show an extension of IC and study its consequences. It is shown that the two above-mentioned principles are inequivalent: if the correlations allowed by nature were the ones satisfying ML, IC would be violated. This gives more confidence in IC as a physical principle, defining the possible correlation allowed by nature.

  20. Matching Microscopic and Macroscopic Responses in Glasses

    NASA Astrophysics Data System (ADS)

    Baity-Jesi, M.; Calore, E.; Cruz, A.; Fernandez, L. A.; Gil-Narvion, J. M.; Gordillo-Guerrero, A.; Iñiguez, D.; Maiorano, A.; Marinari, E.; Martin-Mayor, V.; Monforte-Garcia, J.; Muñoz-Sudupe, A.; Navarro, D.; Parisi, G.; Perez-Gaviro, S.; Ricci-Tersenghi, F.; Ruiz-Lorenzo, J. J.; Schifano, S. F.; Seoane, B.; Tarancon, A.; Tripiccione, R.; Yllanes, D.; Janus Collaboration

    2017-04-01

    We first reproduce on the Janus and Janus II computers a milestone experiment that measures the spin-glass coherence length through the lowering of free-energy barriers induced by the Zeeman effect. Secondly, we determine the scaling behavior that allows a quantitative analysis of a new experiment reported in the companion Letter [S. Guchhait and R. Orbach, Phys. Rev. Lett. 118, 157203 (2017)]., 10.1103/PhysRevLett.118.157203 The value of the coherence length estimated through the analysis of microscopic correlation functions turns out to be quantitatively consistent with its measurement through macroscopic response functions. Further, nonlinear susceptibilities, recently measured in glass-forming liquids, scale as powers of the same microscopic length.

  1. Partitioning a macroscopic system into independent subsystems

    NASA Astrophysics Data System (ADS)

    Delle Site, Luigi; Ciccotti, Giovanni; Hartmann, Carsten

    2017-08-01

    We discuss the problem of partitioning a macroscopic system into a collection of independent subsystems. The partitioning of a system into replica-like subsystems is nowadays a subject of major interest in several fields of theoretical and applied physics. The thermodynamic approach currently favoured by practitioners is based on a phenomenological definition of an interface energy associated with the partition, due to a lack of easily computable expressions for a microscopic (i.e. particle-based) interface energy. In this article, we outline a general approach to derive sharp and computable bounds for the interface free energy in terms of microscopic statistical quantities. We discuss potential applications in nanothermodynamics and outline possible future directions.

  2. Matching Microscopic and Macroscopic Responses in Glasses.

    PubMed

    Baity-Jesi, M; Calore, E; Cruz, A; Fernandez, L A; Gil-Narvion, J M; Gordillo-Guerrero, A; Iñiguez, D; Maiorano, A; Marinari, E; Martin-Mayor, V; Monforte-Garcia, J; Muñoz-Sudupe, A; Navarro, D; Parisi, G; Perez-Gaviro, S; Ricci-Tersenghi, F; Ruiz-Lorenzo, J J; Schifano, S F; Seoane, B; Tarancon, A; Tripiccione, R; Yllanes, D

    2017-04-14

    We first reproduce on the Janus and Janus II computers a milestone experiment that measures the spin-glass coherence length through the lowering of free-energy barriers induced by the Zeeman effect. Secondly, we determine the scaling behavior that allows a quantitative analysis of a new experiment reported in the companion Letter [S. Guchhait and R. Orbach, Phys. Rev. Lett. 118, 157203 (2017)].PRLTAO0031-900710.1103/PhysRevLett.118.157203 The value of the coherence length estimated through the analysis of microscopic correlation functions turns out to be quantitatively consistent with its measurement through macroscopic response functions. Further, nonlinear susceptibilities, recently measured in glass-forming liquids, scale as powers of the same microscopic length.

  3. Variability of macroscopic dimensions of Moso bamboo.

    PubMed

    Cui, Le; Peng, Wanxi; Sun, Zhengjun; Sun, Zhengjun; Sun, Zhengjun; Lu, Huangfei; Chen, Guoning

    2015-03-01

    In order to the macroscopic geometry distributions of vascular bundles in Moso bamboo tubes. The circumference of bamboo tubes was measured, used a simple quadratic diameter formula to analyze the differences between the tubes in bamboo culm, and the arrangement of vascular bundles was investigated by cross sectional images of bamboo tubes. The results shown that the vascular bundles were differently distributed in a bamboo tube. In the outer layer, the vascular bundles had a variety of shapes, and were aligned parallel to each other. In the inner layers, the vascular bundles weren't aligned but uniform in shape. It was concluded that the vascular bundle sections arranged in parallel should be separated from the non-parallel sections for the maximum bamboo utilization.

  4. Macroscopic quantum entanglement in modulated optomechanics

    NASA Astrophysics Data System (ADS)

    Wang, Mei; Lü, Xin-You; Wang, Ying-Dan; You, J. Q.; Wu, Ying

    2016-11-01

    Quantum entanglement in mechanical systems is not only a key signature of macroscopic quantum effects but has wide applications in quantum technologies. Here we propose an effective approach for creating strong steady-state entanglement between two directly coupled mechanical oscillators (or a mechanical oscillator and a microwave resonator) in a modulated optomechanical system. The entanglement is achieved by combining the processes of a cavity cooling and the two-mode parametric interaction, which can surpass the bound on the maximal stationary entanglement from the two-mode parametric interaction. In principle, our proposal allows one to cool the system from an initial thermal state to an entangled state with high purity by a monochromatic driving laser. Also, the obtained entangled state can be used to implement the continuous-variable teleportation with high fidelity. Moreover, our proposal is robust against the thermal fluctuations of the mechanical modes under the condition of strong optical pumping.

  5. Equivalence of macroscopic and microscopic Griffith conditions for subcritical crack growth

    NASA Technical Reports Server (NTRS)

    Esterling, D. M.

    1981-01-01

    Exact relations are derived for a simple bond-snapping model of fracture and numerical results from a previous work are presented. A lattice model with a nonlinear cohesive force law is then considered. In both cases, the results confirm the equivalence of the microscopic and macroscopic Griffith conditions. The Griffith stress intensity is to be identified with the quiescent stress intensity.

  6. Equivalence of macroscopic and microscopic Griffith conditions for subcritical crack growth

    NASA Technical Reports Server (NTRS)

    Esterling, D. M.

    1981-01-01

    Exact relations are derived for a simple bond-snapping model of fracture and numerical results from a previous work are presented. A lattice model with a nonlinear cohesive force law is then considered. In both cases, the results confirm the equivalence of the microscopic and macroscopic Griffith conditions. The Griffith stress intensity is to be identified with the quiescent stress intensity.

  7. Macroscopic heat transport equations and heat waves in nonequilibrium states

    NASA Astrophysics Data System (ADS)

    Guo, Yangyu; Jou, David; Wang, Moran

    2017-03-01

    Heat transport may behave as wave propagation when the time scale of processes decreases to be comparable to or smaller than the relaxation time of heat carriers. In this work, a generalized heat transport equation including nonlinear, nonlocal and relaxation terms is proposed, which sums up the Cattaneo-Vernotte, dual-phase-lag and phonon hydrodynamic models as special cases. In the frame of this equation, the heat wave propagations are investigated systematically in nonequilibrium steady states, which were usually studied around equilibrium states. The phase (or front) speed of heat waves is obtained through a perturbation solution to the heat differential equation, and found to be intimately related to the nonlinear and nonlocal terms. Thus, potential heat wave experiments in nonequilibrium states are devised to measure the coefficients in the generalized equation, which may throw light on understanding the physical mechanisms and macroscopic modeling of nanoscale heat transport.

  8. Characterization of Macroscopic Ordering in Exciton Rings

    NASA Astrophysics Data System (ADS)

    Yang, Sen; Levitov, L. S.; Simons, B. D.; Gossard, A. C.

    2005-03-01

    Recently observed complex PL patterns in 2D QW structures exhibit the inner [1,3] and the outer [1-4] exciton rings, localized bright spots [1,3], and the macroscopically ordered exciton state (MOES) [1,3]. The latter appears at the outer ring via its fragmentation into a periodic array of aggregates. While the gross features have been explained within classical framework, attributing the inner rings to nonradiative exciton transport and cooling [1], and the outermost rings and the bright spots to macroscopic charge separation [3,4], the origin of the MOES remains unidentified [5]. Here, for the first time, we report experiments demonstrating the exciton energy modulation over the MOES as well as the phase diagram of MOES in exciton density and temperature coordinates. The experiments shed new light on the dynamical origin of MOES. Besides, we present the studies of dynamical processes within MOES including the observation of aggregate instabilities and bifurcations that point to the spontaneous character of the instability.[1] L.V. Butov, A.C. Gossard, D.S. Chemla, Nature 418, 751 (2002). [2] D. Snoke, S. Denev, Y. Liu, L. Pfeiffer, K. West, Nature 418, 754 (2002). [3] L.V. Butov, L.S. Levitov, A.V. Mintsev, B.D. Simons, A.C. Gossard, D.S. Chemla PRL 92, 117404 (2004). [4] R. Rapaport, G. Chen, D. Snoke, S.H. Simon, L. Pfeiffer, K. West, Y. Liu, S. Denev PRL 92, 117405 (2004). [5] L.S. Levitov, B.D. Simons, L.V. Butov, cond-mat/0403377.

  9. Determining the Macroscopic Properties of Relativistic Jets

    NASA Astrophysics Data System (ADS)

    Hardee, P. E.

    2004-08-01

    The resolved relativistic jets contain structures whose observed proper motions are typically assumed to indicate the jet flow speed. In addition to structures moving with the flow, various normal mode structures such as pinching or helical and elliptical twisting can be produced by ejection events or twisting perturbations to the jet flow. The normal mode structures associated with relativistic jets, as revealed by numerical simulation, theoretical calculation, and suggested by observation, move more slowly than the jet speed. The pattern speed is related to the jet speed by the sound speed in the jet and in the surrounding medium. In the event that normal mode structures are observed, and where proper motions of pattern and flow speed are available or can be estimated, it is possible to determine the sound speed in the jet and surrounding medium. Where spatial development of normal mode structures is observed, it is possible to make inferences as to the heating rate/macroscopic viscosity of the jet fluid. Ultimately it may prove possible to separate the microscopic energization of the synchrotron radiating particles from the macroscopic heating of the jet fluid. Here I present the relevant properties of useful normal mode structures and illustrate the use of this technique. Various aspects of the work presented here have involved collaboration with I. Agudo (Max-Planck, Bonn), M.A. Aloy (Max-Planck, Garching), J. Eilek (NM Tech), J.L. Gómez (U. Valencia), P. Hughes (U. Michigan), A. Lobanov (Max-Planck, Bonn), J.M. Martí (U. Valencia), & C. Walker (NRAO).

  10. Conditional 1 /fα noise: From single molecules to macroscopic measurement

    NASA Astrophysics Data System (ADS)

    Leibovich, N.; Barkai, E.

    2017-09-01

    We demonstrate that the measurement of 1 /fα noise at the single molecule or nano-object limit is remarkably distinct from the macroscopic measurement over a large sample. The single-particle measurements yield a conditional time-dependent spectrum. However, the number of units fluctuating on the time scale of the experiment is increasing in such a way that the macroscopic measurements appear perfectly stationary. The single-particle power spectrum is a conditional spectrum, in the sense that we must make a distinction between idler and nonidler units on the time scale of the experiment. We demonstrate our results based on stochastic and deterministic models, in particular the well-known approach of superimposed Lorentzians, the blinking quantum dot model, and deterministic dynamics generated by a nonlinear mapping. Our results show that the 1 /fα spectrum is inherently nonstationary even if the macroscopic measurement completely obscures the underlying time dependence of the phenomena.

  11. Adsorption-induced deformation of mesoporous solids: macroscopic approach and density functional theory.

    PubMed

    Gor, Gennady Yu; Neimark, Alexander V

    2011-06-07

    We present a theoretical study of the deformation of mesoporous solids during adsorption. The proposed thermodynamic model allows one to link the mechanical stress and strain to the solvation pressure exerted by the adsorbed molecules on the pore wall. Two approaches are employed for calculation of solvation pressure as a function of adsorbate pressure: the macroscopic Derjaguin-Broekhoff-de Boer theory of capillary condensation, and the microscopic density functional theory. We revealed that the macroscopic and microscopic theories are in quantitative agreement for the pores >8 nm diameter within the whole range of adsorbate pressures. For smaller pores, the macroscopic theory gradually deteriorates, and the density functional theory extends the thermodynamic model of adsorption-induced deformation to the nanometer scales.

  12. On the macroscopic quantization in mesoscopic rings and single-electron devices

    NASA Astrophysics Data System (ADS)

    Semenov, Andrew G.

    2016-05-01

    In this letter we investigate the phenomenon of macroscopic quantization and consider particle on the ring interacting with the dissipative bath as an example. We demonstrate that even in presence of environment, there is macroscopically quantized observable which can take only integer values in the zero temperature limit. This fact follows from the total angular momentum conservation combined with momentum quantization for bare particle on the ring. The nontrivial thing is that the model under consideration, including the notion of quantized observable, can be mapped onto the Ambegaokar-Eckern-Schon model of the single-electron box (SEB). We evaluate SEB observable, originating after mapping, and reveal new physics, which follows from the macroscopic quantization phenomenon and the existence of additional conservation law. Some generalizations of the obtained results are also presented.

  13. Ground testing of bioconvective variables such as morphological characterizations and mechanisms which regulate macroscopic patterns

    NASA Technical Reports Server (NTRS)

    Johnson, Adriel D.

    1992-01-01

    Conditions simulating low- and high-gravity, reveal changes in macroscopic pattern formation in selected microorganisms, but whether these structures are gravity dependent is not clear. Two theories have been identified in the fluid dynamics community which support macroscopic pattern formation. The first one is gravity dependent (fluid density models) where small concentrated regions of organisms sink unstably, and the second is gravity independent (wave reinforcement theory) where organisms align their movements in concert, such that either their swimming strokes beat in phase or their vortices entrain neighbors to follow parallel paths. Studies have shown that macroscopic pattern formation is consistent with the fluid density models for protozoa and algae and wave reinforcement hypothesis for caprine spermatozoa.

  14. Symmetry properties of macroscopic transport coefficients in porous media

    NASA Astrophysics Data System (ADS)

    Lasseux, D.; Valdés-Parada, F. J.

    2017-04-01

    We report on symmetry properties of tensorial effective transport coefficients characteristic of many transport phenomena in porous systems at the macroscopic scale. The effective coefficients in the macroscopic models (derived by upscaling (volume averaging) the governing equations at the underlying scale) are obtained from the solution of closure problems that allow passing the information from the lower to the upper scale. The symmetry properties of the macroscopic coefficients are identified from a formal analysis of the closure problems and this is illustrated for several different physical mechanisms, namely, one-phase flow in homogeneous porous media involving inertial effects, slip flow in the creeping regime, momentum transport in a fracture relying on the Reynolds model including slip effects, single-phase flow in heterogeneous porous media embedding a porous matrix and a clear fluid region, two-phase momentum transport in homogeneous porous media, as well as dispersive heat and mass transport. The results from the analysis of these study cases are summarized as follows. For inertial single-phase flow, the apparent permeability tensor is irreducibly decomposed into its symmetric (viscous) and skew-symmetric (inertial) parts; for creeping slip-flow, the apparent permeability tensor is not symmetric; for one-phase slightly compressible gas flow in the slip regime within a fracture, the effective transmissivity tensor is symmetric, a result that remains valid in the absence of slip; for creeping one-phase flow in heterogeneous media, the permeability tensor is symmetric; for two-phase flow, we found the dominant permeability tensors to be symmetric, whereas the coupling tensors do not exhibit any special symmetry property; finally for dispersive heat transfer, the thermal conductivity tensors include a symmetric and a skew-symmetric part, the latter being a consequence of convective transport only. A similar result is achieved for mass dispersion. Beyond the

  15. Macroscopic entanglement in many-particle quantum states

    NASA Astrophysics Data System (ADS)

    Tichy, Malte C.; Park, Chae-Yeun; Kang, Minsu; Jeong, Hyunseok; Mølmer, Klaus

    2016-04-01

    We elucidate the relationship between Schrödinger-cat-like macroscopicity and geometric entanglement and argue that these quantities are not interchangeable. While both properties are lost due to decoherence, we show that macroscopicity is rare in uniform and in so-called random physical ensembles of pure quantum states, despite possibly large geometric entanglement. In contrast, permutation-symmetric pure states feature rather low geometric entanglement and strong and robust macroscopicity.

  16. Uncovering low dimensional macroscopic chaotic dynamics of large finite size complex systems

    NASA Astrophysics Data System (ADS)

    Skardal, Per Sebastian; Restrepo, Juan G.; Ott, Edward

    2017-08-01

    In the last decade, it has been shown that a large class of phase oscillator models admit low dimensional descriptions for the macroscopic system dynamics in the limit of an infinite number N of oscillators. The question of whether the macroscopic dynamics of other similar systems also have a low dimensional description in the infinite N limit has, however, remained elusive. In this paper, we show how techniques originally designed to analyze noisy experimental chaotic time series can be used to identify effective low dimensional macroscopic descriptions from simulations with a finite number of elements. We illustrate and verify the effectiveness of our approach by applying it to the dynamics of an ensemble of globally coupled Landau-Stuart oscillators for which we demonstrate low dimensional macroscopic chaotic behavior with an effective 4-dimensional description. By using this description, we show that one can calculate dynamical invariants such as Lyapunov exponents and attractor dimensions. One could also use the reconstruction to generate short-term predictions of the macroscopic dynamics.

  17. Dissipative macroscopic quantum tunneling in type-I superconductors

    NASA Astrophysics Data System (ADS)

    Zarzuela, R.; Chudnovsky, E. M.; Tejada, J.

    2011-11-01

    We study macroscopic quantum tunneling of interfaces separating normal and superconducting regions in type-I superconductors. A mathematical model is developed that describes dissipative quantum escape of a two-dimensional manifold from a planar potential well. It corresponds to, e.g., a current-driven quantum depinning of the interface from a grain boundary or from an artificially manufactured pinning layer. Effective action is derived and instantons of the equations of motion are investigated. The crossover between thermal activation and quantum tunneling is studied and the crossover temperature is computed. Our results, together with recent observation of nonthermal low-temperature magnetic relaxation in lead, suggest the possibility of a controlled measurement of quantum depinning of the interface in a type-I superconductor.

  18. Dissipative macroscopic quantum tunneling in type-I superconductors

    SciTech Connect

    Zarzuela, R.; Tejada, J.; Chudnovsky, E. M.

    2011-11-01

    We study macroscopic quantum tunneling of interfaces separating normal and superconducting regions in type-I superconductors. A mathematical model is developed that describes dissipative quantum escape of a two-dimensional manifold from a planar potential well. It corresponds to, e.g., a current-driven quantum depinning of the interface from a grain boundary or from an artificially manufactured pinning layer. Effective action is derived and instantons of the equations of motion are investigated. The crossover between thermal activation and quantum tunneling is studied and the crossover temperature is computed. Our results, together with recent observation of nonthermal low-temperature magnetic relaxation in lead, suggest the possibility of a controlled measurement of quantum depinning of the interface in a type-I superconductor.

  19. Macroscopic quantum self-trapping in dynamical tunneling.

    PubMed

    Wüster, Sebastian; Dąbrowska-Wüster, Beata J; Dabrowska-Wüster, Beata J; Davis, Matthew J

    2012-08-24

    It is well known that increasing the nonlinearity due to repulsive atomic interactions in a double-well Bose-Einstein condensate suppresses quantum tunneling between the two sites. Here we find analogous behavior in the dynamical tunneling of a Bose-Einstein condensate between period-one resonances in a single driven potential well. For small nonlinearities we find unhindered tunneling between the resonances, but with an increasing period as compared to the noninteracting system. For nonlinearities above a critical value we generally observe that the tunneling shuts down. However, for certain regimes of modulation parameters we find that dynamical tunneling reemerges for large enough nonlinearities, an effect not present in spatial double-well tunneling. We develop a two-mode model in good agreement with full numerical simulations over a wide range of parameters, which allows the suppression of tunneling to be attributed to macroscopic quantum self-trapping.

  20. Dissipative Optomechanical Preparation of Macroscopic Quantum Superposition States

    NASA Astrophysics Data System (ADS)

    Abdi, M.; Degenfeld-Schonburg, P.; Sameti, M.; Navarrete-Benlloch, C.; Hartmann, M. J.

    2016-06-01

    The transition from quantum to classical physics remains an intensely debated question even though it has been investigated for more than a century. Further clarifications could be obtained by preparing macroscopic objects in spatial quantum superpositions and proposals for generating such states for nanomechanical devices either in a transient or a probabilistic fashion have been put forward. Here, we introduce a method to deterministically obtain spatial superpositions of arbitrary lifetime via dissipative state preparation. In our approach, we engineer a double-well potential for the motion of the mechanical element and drive it towards the ground state, which shows the desired spatial superposition, via optomechanical sideband cooling. We propose a specific implementation based on a superconducting circuit coupled to the mechanical motion of a lithium-decorated monolayer graphene sheet, introduce a method to verify the mechanical state by coupling it to a superconducting qubit, and discuss its prospects for testing collapse models for the quantum to classical transition.

  1. Photo- and bio-reactivity patterns of dissolved organic matter from biomass and soil leachates and surface waters in a subtropical wetland.

    PubMed

    Chen, Meilian; Jaffé, Rudolf

    2014-09-15

    Dissolved organic carbon (DOC) measurements and optical properties were applied to assess the photo- and bio-reactivity of dissolved organic matter (DOM) from different sources, including biomass leaching, soil leaching and surface waters in a subtropical wetland ecosystem. Samples were exposed to light and/or dark incubated through controlled laboratory experiments. Changes in DOC, ultraviolet (UV-Vis) visible absorbance, and excitation-emission matrix (EEM) fluorescence combined with parallel factor analysis (PARAFAC) were performed to assess sample degradation. Degradation experiments showed that while significant amounts of DOC were consumed during bio-incubation for biomass leachates, a higher degree of bio-recalcitrance for soil leachate and particularly surface waters was displayed. Photo- and bio-humification transformations were suggested for sawgrass, mangrove, and seagrass leachates, as compared to substantial photo-degradation and very little to almost no change after bio-incubation for the other samples. During photo-degradation in most cases the EEM-PARAFAC components displayed photo-decay as compared to a few cases which featured photo-production. In contrast during bio-incubation most EEM-PARAFAC components proved to be mostly bio-refractory although some increases and decreases in abundance were also observed. Furthermore, the sequential photo- followed by bio-degradation showed, with some exceptions, a "priming effect" of light exposure on the bio-degradation of DOM, and the combination of these two processes resulted in a DOM composition more similar to that of the natural surface water for the different sub-environments. In addition, for leachate samples there was a general enrichment of one of the EEM-PARAFAC humic-like component (Ex/Em: <260(305)/416 nm) during photo-degradation and an enrichment of a microbial humc-like component (Ex/Em: <260(325)/406 nm and of a tryptophan-like component (Ex/Em: 300/342 nm) during the bio-degradation process

  2. Investigation of dissipative forces near macroscopic media

    SciTech Connect

    Becker, R.S.

    1982-12-01

    The interaction of classical charged particles with the fields they induce in macroscopic dielectric media is investigated. For 10- to 1000-eV electrons, the angular perturbation of the trajectory by the image potential for surface impact parameters of 50 to 100 A is shown to be of the order of 0.001 rads over a distance of 100 A. The energy loss incurred by low-energy particles due to collective excitations such as surface plasmons is shown to be observable with a transition probability of 0.01 to 0.001 (Becker, et al., 1981b). The dispersion of real surface plasmon modes in planar and cylindrical geometries is discussed and is derived for pinhole geometry described in terms of a single-sheeted hyperboloid of revolution. An experimental apparatus for the measurement of collective losses for medium-energy electrons translating close to a dielectric surface is described and discussed. Data showing such losses at electron energies of 500 to 900 eV in silver foils containing many small apertures are presented and shown to be in good agreement with classical stopping power calculations and quantum mechanical calculations carried out in the low-velocity limit. The data and calculations are compared and contrasted with earlier transmission and reflection measurements, and the course of further investigation is discussed.

  3. Macroscopic superpositions and gravimetry with quantum magnetomechanics

    NASA Astrophysics Data System (ADS)

    Johnsson, Mattias T.; Brennen, Gavin K.; Twamley, Jason

    2016-11-01

    Precision measurements of gravity can provide tests of fundamental physics and are of broad practical interest for metrology. We propose a scheme for absolute gravimetry using a quantum magnetomechanical system consisting of a magnetically trapped superconducting resonator whose motion is controlled and measured by a nearby RF-SQUID or flux qubit. By driving the mechanical massive resonator to be in a macroscopic superposition of two different heights our we predict that our interferometry protocol could, subject to systematic errors, achieve a gravimetric sensitivity of Δg/g ~ 2.2 × 10-10 Hz-1/2, with a spatial resolution of a few nanometres. This sensitivity and spatial resolution exceeds the precision of current state of the art atom-interferometric and corner-cube gravimeters by more than an order of magnitude, and unlike classical superconducting interferometers produces an absolute rather than relative measurement of gravity. In addition, our scheme takes measurements at ~10 kHz, a region where the ambient vibrational noise spectrum is heavily suppressed compared the ~10 Hz region relevant for current cold atom gravimeters.

  4. Macroscopic car condensation in a parking garage.

    PubMed

    Ha, Meesoon; Den Nijs, Marcel

    2002-09-01

    An asymmetric exclusion process type process, where cars move forward along a closed road that starts and terminates at a parking garage, displays dynamic phase transitions into two types of condensate phases where the garage becomes macroscopically occupied. The total car density rho(o) and the exit probability alpha from the garage are the two control parameters. At the transition, the number of parked cars N(p) diverges in both cases, with the length of the road N(s), as N(p) approximately N(y(p))(s) with y(p)=1/2. Towards the transition, the number of parked cars vanishes as N(p) approximately epsilon(beta) with beta=1, epsilon=/alpha-alpha(*)/ or epsilon=|rho(*)(o)-rho(o)/ being the distance from the transition. The transition into the normal phase represents also the onset of transmission of information through the garage. This gives rise to unusual parked car autocorrelations and car density profiles near the garage, which depend strongly on the group velocity of the fluctuations along the road.

  5. Macroscopic superpositions and gravimetry with quantum magnetomechanics

    PubMed Central

    Johnsson, Mattias T.; Brennen, Gavin K.; Twamley, Jason

    2016-01-01

    Precision measurements of gravity can provide tests of fundamental physics and are of broad practical interest for metrology. We propose a scheme for absolute gravimetry using a quantum magnetomechanical system consisting of a magnetically trapped superconducting resonator whose motion is controlled and measured by a nearby RF-SQUID or flux qubit. By driving the mechanical massive resonator to be in a macroscopic superposition of two different heights our we predict that our interferometry protocol could, subject to systematic errors, achieve a gravimetric sensitivity of Δg/g ~ 2.2 × 10−10 Hz−1/2, with a spatial resolution of a few nanometres. This sensitivity and spatial resolution exceeds the precision of current state of the art atom-interferometric and corner-cube gravimeters by more than an order of magnitude, and unlike classical superconducting interferometers produces an absolute rather than relative measurement of gravity. In addition, our scheme takes measurements at ~10 kHz, a region where the ambient vibrational noise spectrum is heavily suppressed compared the ~10 Hz region relevant for current cold atom gravimeters. PMID:27869142

  6. The Proell Effect: A Macroscopic Maxwell's Demon

    NASA Astrophysics Data System (ADS)

    Rauen, Kenneth M.

    2011-12-01

    Maxwell's Demon is a legitimate challenge to the Second Law of Thermodynamics when the "demon" is executed via the Proell effect. Thermal energy transfer according to the Kinetic Theory of Heat and Statistical Mechanics that takes place over distances greater than the mean free path of a gas circumvents the microscopic randomness that leads to macroscopic irreversibility. No information is required to sort the particles as no sorting occurs; the entire volume of gas undergoes the same transition. The Proell effect achieves quasi-spontaneous thermal separation without sorting by the perturbation of a heterogeneous constant volume system with displacement and regeneration. The classical analysis of the constant volume process, such as found in the Stirling Cycle, is incomplete and therefore incorrect. There are extra energy flows that classical thermo does not recognize. When a working fluid is displaced across a regenerator with a temperature gradient in a constant volume system, complimentary compression and expansion work takes place that transfers energy between the regenerator and the bulk gas volumes of the hot and cold sides of the constant volume system. Heat capacity at constant pressure applies instead of heat capacity at constant volume. The resultant increase in calculated, recyclable energy allows the Carnot Limit to be exceeded in certain cycles. Super-Carnot heat engines and heat pumps have been designed and a US patent has been awarded.

  7. Macroscopic hematuria in patients on anticoagulation therapy

    PubMed Central

    Mariyanovski, Valeri; Hadzhiyska, Valeria

    2015-01-01

    Introduction Visible hematuria is not rare in patients on anticoagulant therapy. There is no consensus regarding the diagnostic approach for them; some authors suggest restricted volume of diagnostic procedures because of the low number of urological etiology found. Some antibiotics have been reported to potentiate the effect of oral anticoagulants. Material and methods The study addresses the need for urological assessment of patients on anticoagulation therapy and the possible role of some drugs administrated simultaneously with an oral anticoagulant, for the onset of macroscopic hematuria. Patients hospitalized with hematuria, both with or without anticoagulation therapy, were investigated and followed up. Results The onset of hematuria depends on the monitoring of oral anticoagulation. INR (International Normalized Ratio) value corresponds with the probability of non-urological etiology, where INR>4 carries relatively low risk for urological and malignant etiology. Some antibiotics may influence the anticoagulation effect, so INR value may be elevated and hematuria may occur. Conclusions Anticoagulation therapy should be administrated carefully and individually. The risk of urological etiology of hematuria is lower in patients on oral anticoagulants (especially when INR >4), however, it is not zero. PMID:26568876

  8. Macroscopic resonant tunnelling through Andreev interferometers

    NASA Astrophysics Data System (ADS)

    Goorden, M. C.; Jacquod, Ph; Weiss, J.

    2008-04-01

    We investigate the conductance through and the spectrum of ballistic chaotic quantum dots attached to two s-wave superconductors, as a function of the phase difference phi between the two order parameters. A combination of analytical techniques—random matrix theory, Nazarov's circuit theory and the trajectory-based semiclassical theory—allows us to explore the quantum-to-classical crossover in detail. When the superconductors are not phase-biased, phi = 0, we recover known results that the spectrum of the quantum dot exhibits an excitation gap, while the conductance across two normal leads carrying NN channels and connected to the dot via tunnel contacts of transparency ΓN is \\propto \\Gamma_{\\mathrm {N}}^2 N_{\\mathrm {N}} . In contrast, when phi = π, the excitation gap closes and the conductance becomes G \\propto \\Gamma_{\\mathrm {N}} N_{\\mathrm {N}} in the universal regime. For \\Gamma_{\\mathrm {N}} \\ll 1 , we observe an order-of-magnitude enhancement of the conductance towards G \\propto N_{\\mathrm {N}} in the short-wavelength limit. We relate this enhancement to resonant tunnelling through a macroscopic number of levels close to the Fermi energy. Our predictions are corroborated by numerical simulations.

  9. Macroscopic quantum tunnelling in a current biased Josephson junction

    SciTech Connect

    Martinis, J.M.; Devoret, M.H.; Clarke, J.; Urbina, C.

    1984-11-01

    We discuss in this work an attempt to answer experimentally the question: do macroscopic variables obey quantum mechanics. More precisely, this experiment deals with the question of quantum-mechanical tunnelling of a macroscopic variable, a subject related to the famous Schrodinger's cat problem in the theory of measurement.

  10. Macroscopic Description of Pressure-anisotropy-driven Collective Instability in Intense Charged Particle Beams

    SciTech Connect

    Sean Strasburg; Ronald C. Davidson

    2000-05-30

    The macroscopic warm-fluid model developed by Lund and Davidson [Phys.Plasmas 5, 3028 (1998)] is used in the smooth-focusing approximation to investigate detailed stability properties of an intense charged particle beam with pressure anisotropy, assuming small-amplitude electrostatic pertubations about a waterbag equilibrium.

  11. State-space based analysis and forecasting of macroscopic road safety trends in Greece.

    PubMed

    Antoniou, Constantinos; Yannis, George

    2013-11-01

    In this paper, macroscopic road safety trends in Greece are analyzed using state-space models and data for 52 years (1960-2011). Seemingly unrelated time series equations (SUTSE) models are developed first, followed by richer latent risk time-series (LRT) models. As reliable estimates of vehicle-kilometers are not available for Greece, the number of vehicles in circulation is used as a proxy to the exposure. Alternative considered models are presented and discussed, including diagnostics for the assessment of their model quality and recommendations for further enrichment of this model. Important interventions were incorporated in the models developed (1986 financial crisis, 1991 old-car exchange scheme, 1996 new road fatality definition) and found statistically significant. Furthermore, the forecasting results using data up to 2008 were compared with final actual data (2009-2011) indicating that the models perform properly, even in unusual situations, like the current strong financial crisis in Greece. Forecasting results up to 2020 are also presented and compared with the forecasts of a model that explicitly considers the currently on-going recession. Modeling the recession, and assuming that it will end by 2013, results in more reasonable estimates of risk and vehicle-kilometers for the 2020 horizon. This research demonstrates the benefits of using advanced state-space modeling techniques for modeling macroscopic road safety trends, such as allowing the explicit modeling of interventions. The challenges associated with the application of such state-of-the-art models for macroscopic phenomena, such as traffic fatalities in a region or country, are also highlighted. Furthermore, it is demonstrated that it is possible to apply such complex models using the relatively short time-series that are available in macroscopic road safety analysis.

  12. Multi-walled carbon nanotube length as a critical determinant of bioreactivity with primary human pulmonary alveolar cells

    PubMed Central

    Sweeney, Sinbad; Berhanu, Deborah; Misra, Superb K.; Thorley, Andrew J.; Valsami-Jones, Eugenia; Tetley, Teresa D.

    2015-01-01

    Multiwalled carbon nanotube (MWCNT) length is suggested to critically determine their pulmonary toxicity. This stems from in vitro and in vivo rodent studies and in vitro human studies using cell lines (typically cancerous). There is little data using primary human lung cells. We addressed this knowledge gap, using highly relevant, primary human alveolar cell models exposed to precisely synthesized and thoroughly characterized MWCNTs. In this work, transformed human alveolar type-I-like epithelial cells (TT1), primary human alveolar type-II epithelial cells (ATII) and alveolar macrophages (AM) were treated with increasing concentrations of MWCNTs before measuring cytotoxicity, inflammatory mediator release and MAP kinase signalling. Strikingly, we observed that short MWCNTs (~0.6 µm in length) induced significantly greater responses from the epithelial cells, whilst AM were particularly susceptible to long MWCNTs (~20 µm). These differences in the pattern of mediator release were associated with alternative profiles of JNK, p38 and ERK1/2 MAP kinase signal transduction within each cell type. This study, using highly relevant target human alveolar cells and well defined and characterized MWCNTs, shows marked cellular responses to the MWCNTs that vary according to the target cell type, as well as the aspect ratio of the MWCNT. PMID:25780270

  13. Magnetic Fe2O3-polystyrene/PPy core/shell particles: bioreactivity and self-assembly.

    PubMed

    Mangeney, Claire; Fertani, Meriem; Bousalem, Smain; Zhicai, Ma; Ammar, Souad; Herbst, Fréderic; Beaunier, Patricia; Elaissari, Abdelhamid; Chehimi, Mohamed M

    2007-10-23

    This paper describes the synthesis of new magnetic, reactive polystyrene/polypyrrole core/shell latex particles. The core consists of a polystyrene microsphere containing gamma-Fe2O3 superparamagnetic nanoparticles (PSmag), and the shell is made of reactive N-carboxylic acid-functionalized polypyrrole (PPyCOOH). These PSmag-PPyCOOH latex particles, average diameter 220 nm, were prepared by copolymerization of pyrrole (Py) and the active carboxyl-functionalized pyrrole (PyCOOH) in the presence of PSmag particles. PNVP was used as a steric stabilizer. The functionalized polypyrrole-coated PSmag particles were characterized in terms of their particle size, surface morphology, chemical composition, and electrochemical and magnetic properties using transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), cyclic voltammetry, and SQUID magnetometry. Activation of the particle surface carboxyl groups was achieved using 1-ethyl-3-(3-dimethylaminopropyl)-carbodiimide (EDC) and N-hydroxysuccinimide (NHS), which helps transform the carboxyl groups into activated ester groups (NSE). The activated particles, PSmag-PPyNSE, were further evaluated as bioadsorbents of biotin used as a model biomolecule. It was shown that biotin was immobilized at the surface of the PSmag-PPyNSE particles by forming interfacial amide groups. The assemblies of PSmag-PPyCOOH particles on glass plates were further investigated. When no magnetic field is applied, the particles assemble into 3D colloidal crystals. In contrast, under a magnetic field, one-particle-thick chains gathered in hedgehog-like architectures are obtained. Furthermore, PSmag-PPyCOOH coated ITO electrodes were shown to be electroactive and electrochemically stable, thus offering potentialities for creating novel high-specific-area materials for biosensing devices where the conducting polymer component would act as the transducer through its conductive properties.

  14. Design of the New York City Macroscope: Innovations in Population Health Surveillance Using Electronic Health Records

    PubMed Central

    Newton-Dame, Remle; McVeigh, Katharine H.; Schreibstein, Lauren; Perlman, Sharon; Lurie-Moroni, Elizabeth; Jacobson, Laura; Greene, Carolyn; Snell, Elisabeth; Thorpe, Lorna E.

    2016-01-01

    Macroscope covered 10% of primary care providers and 15% of all adult patients in NYC in 2013 (8–47% of patients by neighborhood). Data completeness varied by domain from 98% for blood pressure among patients with hypertension to 33% for depression screening. Discussion: Design and validation efforts undertaken by NYC are described here to provide one potential blueprint for leveraging EHRs for population health monitoring. To replicate a model like NYC Macroscope, jurisdictions should establish buy-in; build informatics capacity; use standard, simple case defnitions; establish documentation quality thresholds; restrict to primary care providers; and weight the sample to a target population. PMID:28154835

  15. Macroscopic quasilinear theory of parallel electron firehose instability associated with solar wind electrons

    NASA Astrophysics Data System (ADS)

    Sarfraz, M.; Yoon, P. H.; Saeed, Sundas; Abbas, G.; Shah, H. A.

    2017-01-01

    A number of different microinstabilities are known to be responsible for regulating the upper bound of temperature anisotropies in solar wind protons, alpha particles, and electrons. In the present paper, quasilinear kinetic theory is employed to investigate the time variation in electron temperature anisotropies in response to the excitation of parallel electron firehose instability in homogeneous and non-collisional solar wind plasma under the condition of T∥e>T⊥e . By assuming the bi-Maxwellian form of velocity distribution functions, various velocity moments of the particle kinetic equation are taken in order to reduce the theory to macroscopic model in which the wave-particle interaction is incorporated, hence, the macroscopic quasilinear theory. The threshold condition for the parallel electron firehose instability, empirically constructed as a curve in (β∥e,T⊥e/T∥e) phase space, is implicit in the present macroscopic quasilinear calculation. Even though the present calculation excludes the oblique firehose instability, which is known to possess a higher growth rate, the basic methodology may be further extended to include such a mode. Among the findings is that the parallel electron firehose instability dynamically couples the electrons and protons, which implies that this instability may be important for overall solar wind dynamics. The present analysis shows that the macroscopic quasilinear approach may eventually be incorporated in global-kinetic models of the solar wind electrons and ions.

  16. Contact angle entropy and macroscopic friction in noncohesive two-dimensional granular packings

    NASA Astrophysics Data System (ADS)

    Petit, Juan C.; García, Xavier; Sánchez, Iván; Medina, Ernesto

    2017-07-01

    We study the relationship between the granular contact angle distribution and local particle friction on the macroscopic friction and bulk modulus in noncohesive disk packings. Molecular dynamics in two dimensions are used to simulate uniaxial loading-unloading cycles imposed on the granular packings. While macroscopic Mohr friction depends on the granular pack geometric details, it reaches a stationary limit after a finite number of loading-unloading cycles that render well-defined values for bulk modulus, grain coordination, porosity, and friction. For random packings and for all polydispersities analyzed, we found that as interparticle friction increases, the bulk modulus for the limit cycle decreases linearly, while the mean coordination number is reduced and the porosity increased, also as approximately linear functions. On the other hand, the macroscopic Mohr friction increases in a monotonous trend with interparticle friction. The latter result is compared to a theoretical model that assumes the existence of sliding planes corresponding to definite Mohr-friction values. The simulation results for macroscopic friction are well described by the theoretical model that incorporates the local neighbor angle distribution that can be quantified through the contact angle entropy. As local friction is increased, the limit entropy of the neighbor angle distribution is reduced, thus introducing the geometric component to granular friction. Surprisingly, once the limit cycle is reached, the Mohr friction seems to be insensitive to polydispersity as has been recently reported.

  17. Experimental demonstration of macroscopic quantum coherence in Gaussian states

    SciTech Connect

    Marquardt, Christoph; Leuchs, Gerd; Andersen, Ulrik L.; Takeno, Yuishi; Yukawa, Mitsuyoshi; Yonezawa, Hidehiro; Furusawa, Akira

    2007-09-15

    We witness experimentally the presence of macroscopic coherence in Gaussian quantum states using a recently proposed criterion [E. G. Cavalcanti and M. D. Reid, Phys. Rev. Lett. 97 170405 (2006)]. The macroscopic coherence stems from interference between macroscopically distinct states in phase space, and we prove experimentally that a coherent state contains these features with a distance in phase space of 0.51{+-}0.02 shot noise units. This is surprising because coherent states are generally considered being at the border between classical and quantum states, not yet displaying any nonclassical effect. For squeezed and entangled states the effect may be larger but depends critically on the state purity.

  18. Air pollution particles mediated oxidative DNA base damage in a cell free system and in human airway epithelial cells in relation to particulate metal content and bioreactivity.

    PubMed

    Prahalad, A K; Inmon, J; Dailey, L A; Madden, M C; Ghio, A J; Gallagher, J E

    2001-07-01

    Epidemiological studies demonstrate an association between increased human morbidity and mortality with exposure to air pollution particulate matter. We hypothesized that such effects may be associated with the ability of the particles to mediate generation of reactive oxygen species (ROS), either directly, via interaction with ambient oxygen or indirectly through initiation of an oxidative burst in phagocytes. To test this hypothesis, we determined 8-oxo-dG formation as a measure of direct generation of ROS, in response to particulate exposures to 2'-deoxyguanosine (dG), free and in calf thymus DNA in aerated solutions as the target molecule and cell culture, to assess the relationship between induction of oxidative damage, particulate metal content and metal bioreactivity. The HPLC-ECD technique was employed for separation and quantification of 8-oxo-dG, the most widely recognized marker of DNA oxidation. Particles used in this study include: Arizona desert dust (AZDD), coal fly ash (CFA and ECFA), oil fly ash (OFA and ROFA), and ambient air [SRM 1649 and Dusseldorf (DUSS), Germany]. The major difference between these particles is the concentration of water-soluble metals. The fly ash particulates OFA and ROFA showed a significant dose-dependent increase in dG hydroxylation to 8-oxo-dG formation over the control dG (p < 0.05), with yields 0.03 and 1.25% at the highest particulate concentration (1 mg/mL). Metal ion chelators and DMSO, a hydroxyl radical scavenger, inhibited this hydroxylation. In contrast, desert dust, coal fly ash and urban air particles induced 8-oxo-dG with yields ranging from 0.003 to 0.006%, respectively, with levels unaffected by pretreatment of the particles with metal ion chelators or addition of DMSO to the incubation mixture. When calf thymus DNA was used as a substrate, all the particles induced 8-oxo-dG in a pattern similar to that observed for dG hydroxylation, but with relatively less yield. Treatment of the particles with metal ion

  19. Macroscopic hotspots identification: A Bayesian spatio-temporal interaction approach.

    PubMed

    Dong, Ni; Huang, Helai; Lee, Jaeyoung; Gao, Mingyun; Abdel-Aty, Mohamed

    2016-07-01

    This study proposes a Bayesian spatio-temporal interaction approach for hotspot identification by applying the full Bayesian (FB) technique in the context of macroscopic safety analysis. Compared with the emerging Bayesian spatial and temporal approach, the Bayesian spatio-temporal interaction model contributes to a detailed understanding of differential trends through analyzing and mapping probabilities of area-specific crash trends as differing from the mean trend and highlights specific locations where crash occurrence is deteriorating or improving over time. With traffic analysis zones (TAZs) crash data collected in Florida, an empirical analysis was conducted to evaluate the following three approaches for hotspot identification: FB ranking using a Poisson-lognormal (PLN) model, FB ranking using a Bayesian spatial and temporal (B-ST) model and FB ranking using a Bayesian spatio-temporal interaction (B-ST-I) model. The results show that (a) the models accounting for space-time effects perform better in safety ranking than does the PLN model, and (b) the FB approach using the B-ST-I model significantly outperforms the B-ST approach in correctly identifying hotspots by explicitly accounting for the space-time variation in addition to the stable spatial/temporal patterns of crash occurrence. In practice, the B-ST-I approach plays key roles in addressing two issues: (a) how the identified hotspots have evolved over time and (b) the identification of areas that, whilst not yet hotspots, show a tendency to become hotspots. Finally, it can provide guidance to policy decision makers to efficiently improve zonal-level safety. Copyright © 2016 Elsevier Ltd. All rights reserved.

  20. Macroscopic quantum tunnelling of protons in the KHCO 3 crystal

    NASA Astrophysics Data System (ADS)

    Fillaux, François; Cousson, Alain; Gutmann, Matthias J.

    2006-06-01

    Macroscopic quantum entanglement reveals an unforeseen mechanism for proton transfer across hydrogen bonds in the solid state. We utilize neutron scattering techniques to study proton dynamics in the crystal of potassiumhydrogencarbonate (KHCO 3) composed of small planar centrosymmetric dimer entities ( linked by moderately strong hydrogen bonds. All protons are indistinguishable, they behave as fermions, and they are degenerate. The sublattice of protons is a superposition of macroscopic single-particle states. At elevated temperature, protons are progressively transferred to secondary sites at ≈0.6 Å from the main position, via tunnelling along hydrogen bonds. The macroscopic quantum entanglement, still observed at 300 K, reveals that proton transfer is a coherent process throughout the crystal arising from a superposition of macroscopic tunnelling states.

  1. Large Deviations for the Macroscopic Motion of an Interface

    NASA Astrophysics Data System (ADS)

    Birmpa, P.; Dirr, N.; Tsagkarogiannis, D.

    2017-03-01

    We study the most probable way an interface moves on a macroscopic scale from an initial to a final position within a fixed time in the context of large deviations for a stochastic microscopic lattice system of Ising spins with Kac interaction evolving in time according to Glauber (non-conservative) dynamics. Such interfaces separate two stable phases of a ferromagnetic system and in the macroscopic scale are represented by sharp transitions. We derive quantitative estimates for the upper and the lower bound of the cost functional that penalizes all possible deviations and obtain explicit error terms which are valid also in the macroscopic scale. Furthermore, using the result of a companion paper about the minimizers of this cost functional for the macroscopic motion of the interface in a fixed time, we prove that the probability of such events can concentrate on nucleations should the transition happen fast enough.

  2. Macroscopic test of quantum mechanics versus stochastic electrodynamics

    NASA Astrophysics Data System (ADS)

    Chaturvedi, S.; Drummond, Peter D.

    1997-02-01

    We identify a test of quantum mechanics versus macroscopic local realism in the form of stochastic electrodynamics. The test uses the steady-state triple quadrature correlations of a parametric oscillator below threshold.

  3. Anatomy of the ethmoid: CT, endoscopic, and macroscopic

    SciTech Connect

    Terrier, F.; Weber, W.; Ruefenacht, D.; Porcellini, B.

    1985-03-01

    The authors illustrate the normal CT anatomy of the ethmoid region and correlate it with the endoscopic and macroscopic anatomy to define landmarks that can be recognized on CT and during endoscopically controlled transnasal ethmoidectomy.

  4. Interference of macroscopic states in the presence of quantum tunneling

    SciTech Connect

    Dmitrenko, I.M.; Tsoi, G.M.; Shnyrkov, V.I.

    1984-02-01

    In studying the decomposition of the metastable states of superconducting quantum interferrometers, anomalous peaks were observed in the probability density, whose appearance is associated with resonance tunneling between macroscopic states.

  5. Terahertz Science and Technology of Macroscopically Aligned Carbon Nanotube Films

    NASA Astrophysics Data System (ADS)

    Kono, Junichiro

    One of the outstanding challenges in nanotechnology is how to assemble individual nano-objects into macroscopic architectures while preserving their extraordinary properties. For example, the one-dimensional character of electrons in individual carbon nanotubes leads to extremely anisotropic transport, optical, and magnetic phenomena, but their macroscopic manifestations have been limited. Here, we describe methods for preparing macroscopic films, sheets, and fibers of highly aligned carbon nanotubes and their applications to basic and applied terahertz studies. Sufficiently thick films act as ideal terahertz polarizers, and appropriately doped films operate as polarization-sensitive, flexible, powerless, and ultra-broadband detectors. Together with recently developed chirality enrichment methods, these developments will ultimately allow us to study dynamic conductivities of interacting one-dimensional electrons in macroscopic single crystals of single-chirality single-wall carbon nanotubes.

  6. Conditional preparation of X{sup (2)} macroscopic entangled states

    SciTech Connect

    Podoshvedov, S. A.

    2006-04-15

    Two experimental arrangements consisting of coupled spontaneous parametric down-converters with type-I phase matching pumped simultaneously by a powerful optical field in a coherent state through a balanced beam splitter and linear optical elements are proposed for conditional preparation of macroscopic entangled states in output pumping modes of the studied system. Successful generation of the macroscopic entangled state in the pumping modes is unambiguously heralded by coincident detection of two photons in the generated signal and idler modes of the system. We calculate the amount of entanglement and probabilities of successfully observing the X{sup (2)} macroscopic entangled states in the total wavefunction. We show that the proposed schemes can be used to obtain a new type of macroscopic entangled states.

  7. Energetics of macroscopic helical domain in different tube geometries and loading

    NASA Astrophysics Data System (ADS)

    Zhou, R.; Sun, Q. P.

    2010-06-01

    Superelastic NiTi polycrystalline shape memory alloy tubes, when subject to slow quasistatic stretching, transform to a high strain phase by the formation and growth of a macroscopic helix-shaped domain as deformation progresses. This paper performed an experimental study on the effects of the external applied nominal strain and the tube geometry (tube radius R, wall-thickness h and length L) on the helical domains in isothermal stretching of the tubes. The evolution of the macroscopic domains with the applied strain in different tube geometries are quantified by in-situ optical measurement. We demonstrate that the equilibrium shape of the macroscopic helical domain and its evolution are governed by the competition between the domain front energy and the elastic-misfit bending strain energy of the tube system. The former favors a short helical domain, while the latter favors a long slim helical domain. The experimental results provided basic physical and experimental foundations for further modelling and quantification of the macroscopic domain morphology evolution in tube geometries.

  8. High-throughput imaging of adult fluorescent zebrafish with an LED fluorescence macroscope

    PubMed Central

    Blackburn, Jessica S; Liu, Sali; Raimondi, Aubrey R; Ignatius, Myron S; Salthouse, Christopher D; Langenau, David M

    2011-01-01

    Zebrafish are a useful vertebrate model for the study of development, behavior, disease and cancer. A major advantage of zebrafish is that large numbers of animals can be economically used for experimentation; however, high-throughput methods for imaging live adult zebrafish had not been developed. Here, we describe protocols for building a light-emitting diode (LED) fluorescence macroscope and for using it to simultaneously image up to 30 adult animals that transgenically express a fluorescent protein, are transplanted with fluorescently labeled tumor cells or are tagged with fluorescent elastomers. These protocols show that the LED fluorescence macroscope is capable of distinguishing five fluorescent proteins and can image unanesthetized swimming adult zebrafish in multiple fluorescent channels simultaneously. The macroscope can be built and used for imaging within 1 day, whereas creating fluorescently labeled adult zebrafish requires 1 hour to several months, depending on the method chosen. The LED fluorescence macroscope provides a low-cost, high-throughput method to rapidly screen adult fluorescent zebrafish and it will be useful for imaging transgenic animals, screening for tumor engraftment, and tagging individual fish for long-term analysis. PMID:21293462

  9. Micro- and macroscopic photonic control of matter

    NASA Astrophysics Data System (ADS)

    Ryabtsev, Anton

    parameters. In order for measurements not to be skewed, these interactions need to be taken into account and mitigated at the time of the experiment or handled later in data analysis and simulations. Experimental results are presented in four chapters. Chapter 2 describes two topics: (1) single-shot real-time monitoring and correction of spectral phase drifts, which commonly originate from temperature and pointing fluctuations inside the laser cavity when the pulses are generated; (2) an all-optical method for controlling the dispersion of femtosecond pulses using other pulses. Chapter 3 focuses on the effects of the propagation media--how intense laser pulses modify media and how, in turn, the media modifies them back--and how these effects can be counteracted. Self-action effects in fused silica are discussed, along with some interesting and unexpected results. A method is then proposed for mitigating self-action processes using binary modulation of the spectral phases of laser pulses. Chapter 4 outlines the design of two laser systems, which are specifically tailored for particular spectroscopic applications and incorporate the comprehensive pulse control described in previous chapters. Chapter 5 shows how control of spatial beam characteristics can be applied to measurements of the mechanical motion of microscale particles and how it can potentially be applied to molecular motion. It also describes an experiment on laser-induced flow in air in which attempts were made to control the macroscopic molecular rotation of gases. My research, with a pulse shaper as the enabling tool, provides important insights into ultrafast scientific studies by making femtosecond laser research more predictable, reliable and practical for measurement and control. In the long term, some of the research methods in this thesis may help the transition of femtosecond lasers from the laboratory environment into clinics, factories, airports, and other everyday settings.

  10. Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations.

    PubMed

    Karabanov, Alexander; Kwiatkowski, Grzegorz; Perotto, Carlo U; Wiśniewski, Daniel; McMaster, Jonathan; Lesanovsky, Igor; Köckenberger, Walter

    2016-11-02

    A theory of dynamic nuclear polarisation (DNP) by thermal mixing is suggested based on purely quantum considerations. A minimal 6-level microscopic model is developed to test the theory and link it to the well-known thermodynamic model. Optimal conditions for the nuclear polarization enhancement and effects of inhomogeneous broadening of the electron resonance are discussed. Macroscopic simulations of nuclear polarization spectra displaying good agreement with experiments, involving BDPA and trityl free radicals, are presented.

  11. Transport Theoretical Studies of Some Microscopic and Macroscopic Systems

    NASA Astrophysics Data System (ADS)

    Astwood, Alden Matthew

    This dissertation is a report on theoretical transport studies of two systems of vastly different sizes. The first topic is electronic motion in quantum wires. In recent years, it has become possible to fabricate wires that are so small that quantum effects become important. The conduction properties of these wires are quite different than those of macroscopic wires. In this dissertation, we seek to understand scattering effects in quantum wires in a simple way. Some of the existing formalisms for studying transport in quantum wires are reviewed, and one such formalism is applied to calculate conductance in some simple systems. The second topic concerns animals which move in groups, such as flocking birds or schooling fish. Exact analytic calculations of the transport properties of such systems are very difficult because a flock is a system that is far from equilibrium and consists of many interacting particles. We introduce two simplified models of flocking which are amenable to analytic study. The first model consists of a set of overdamped Brownian particles that interact via spring forces. The exact solution for the probability distribution is calculated, and equations of motion for continuous coarse-grained quantities, such as the density, are obtained from the full solution. The second model consists of particles which move in one dimension at constant speed, but which change their directions at random. The flipping rates are constructed in such a way that particles tend to align their directions with each other. The model is solved exactly for one and two particles, the first two moments are obtained, and equations of motion for continuous coarse-grained quantities are written. The model cannot be solved exactly for many particles, but the first and second moments are calculated. Finally, two additional topics are briefly discussed. The first is transport in disordered lattices, and the second is a static magnetic model of flocking.

  12. On cavitation and macroscopic behaviour of amorphous polymer-rubber blends.

    PubMed

    Belayachi, Naima; Benseddiq, Noureddine; Naït-Abdelaziz, Moussa; Hamdi, Adel

    2008-04-01

    The macroscopic behaviour of rubber-modified polymethyl methacrylate (PMMA) was investigated by taking into account the microdeformation mechanisms of rubber cavitation. The dependence of the macroscopic stress-strain behaviour of matrix deformation on the cavitation of rubber particles was discussed. A phenomenological elastic-viscoplastic model was used to model the behaviour of the matrix material, while the rubber particles were modelled with the hyperelasticity theory. A two-phase composite material with a periodic arrangement of reinforcing particles of a circular unit cell section was considered. Finite-element analysis was used to determine the local stresses and strains in the two-phase composite. In order to describe the cavitation of the rubber particles, a criterion of void nucleation is implemented in the finite-element (FE) code. A comparison of the numerically predicted response with experimental result indicates that the numerical homogenisation analysis gives satisfactory prediction results.

  13. On cavitation and macroscopic behaviour of amorphous polymer-rubber blends

    PubMed Central

    Belayachi, Naima; Benseddiq, Noureddine; Naït-Abdelaziz, Moussa; Hamdi, Adel

    2008-01-01

    The macroscopic behaviour of rubber-modified polymethyl methacrylate (PMMA) was investigated by taking into account the microdeformation mechanisms of rubber cavitation. The dependence of the macroscopic stress–strain behaviour of matrix deformation on the cavitation of rubber particles was discussed. A phenomenological elastic-viscoplastic model was used to model the behaviour of the matrix material, while the rubber particles were modelled with the hyperelasticity theory. A two-phase composite material with a periodic arrangement of reinforcing particles of a circular unit cell section was considered. Finite-element analysis was used to determine the local stresses and strains in the two-phase composite. In order to describe the cavitation of the rubber particles, a criterion of void nucleation is implemented in the finite-element (FE) code. A comparison of the numerically predicted response with experimental result indicates that the numerical homogenisation analysis gives satisfactory prediction results. PMID:27877983

  14. The many-nucleon theory of nuclear collective structure and its macroscopic limits: an algebraic perspective

    NASA Astrophysics Data System (ADS)

    Rowe, D. J.; McCoy, A. E.; Caprio, M. A.

    2016-03-01

    The nuclear collective models introduced by Bohr, Mottelson and Rainwater, together with the Mayer-Jensen shell model, have provided the central framework for the development of nuclear physics. This paper reviews the microscopic evolution of the collective models and their underlying foundations. In particular, it is shown that the Bohr-Mottelson models have expressions as macroscopic limits of microscopic models that have precisely defined expressions in many-nucleon quantum mechanics. Understanding collective models in this way is especially useful because it enables the analysis of nuclear properties in terms of them to be revisited and reassessed in the light of their microscopic foundations.

  15. Exploratory numerical experiments with a macroscopic theory of interfacial interactions

    NASA Astrophysics Data System (ADS)

    Giordano, D.; Solano-López, P.; Donoso, J. M.

    2017-09-01

    Phenomenological theories of interfacial interactions are founded on the core idea to model macroscopically the thin layer that forms between media in contact as a two-dimensional continuum (surface phase or interface) characterised by physical properties per unit area; the temporal evolution of the latter is governed by surface balance equations whose set acts as bridging channel in between the governing equations of the volume phases. These theories have targeted terrestrial applications since long time and their exploitation has inspired our research programme to build up, on the same core idea, a macroscopic theory of gas-surface interactions targeting the complex phenomenology of hypersonic reentry flows as alternative to standard methods in aerothermodynamics based on accommodation coefficients. The objective of this paper is the description of methods employed and results achieved in the exploratory study that kicked off our research programme, that is, the unsteady heat transfer between two solids in contact in planar and cylindrical configurations with and without interface. It is a simple numerical-demonstrator test case designed to facilitate quick numerical calculations but, at the same time, to bring forth already sufficiently meaningful aspects relevant to thermal protection due to the formation of the interface. The paper begins with a brief introduction on the subject matter and a review of relevant literature within an aerothermodynamics perspective. Then the case is considered in which the interface is absent. The importance of tension (force per unit area) continuity as boundary condition on the same footing of heat-flux continuity is recognised and the role of the former in governing the establishment of the temperature-difference distribution over the separation surface is explicitly shown. Evidence is given that the standard temperature-continuity boundary condition is just a particular case. Subsequently the case in which the interface is

  16. Exploratory numerical experiments with a macroscopic theory of interfacial interactions

    NASA Astrophysics Data System (ADS)

    Giordano, D.; Solano-López, P.; Donoso, J. M.

    2017-04-01

    Phenomenological theories of interfacial interactions are founded on the core idea to model macroscopically the thin layer that forms between media in contact as a two-dimensional continuum (surface phase or interface) characterised by physical properties per unit area; the temporal evolution of the latter is governed by surface balance equations whose set acts as bridging channel in between the governing equations of the volume phases. These theories have targeted terrestrial applications since long time and their exploitation has inspired our research programme to build up, on the same core idea, a macroscopic theory of gas-surface interactions targeting the complex phenomenology of hypersonic reentry flows as alternative to standard methods in aerothermodynamics based on accommodation coefficients. The objective of this paper is the description of methods employed and results achieved in the exploratory study that kicked off our research programme, that is, the unsteady heat transfer between two solids in contact in planar and cylindrical configurations with and without interface. It is a simple numerical-demonstrator test case designed to facilitate quick numerical calculations but, at the same time, to bring forth already sufficiently meaningful aspects relevant to thermal protection due to the formation of the interface. The paper begins with a brief introduction on the subject matter and a review of relevant literature within an aerothermodynamics perspective. Then the case is considered in which the interface is absent. The importance of tension (force per unit area) continuity as boundary condition on the same footing of heat-flux continuity is recognised and the role of the former in governing the establishment of the temperature-difference distribution over the separation surface is explicitly shown. Evidence is given that the standard temperature-continuity boundary condition is just a particular case. Subsequently the case in which the interface is

  17. Effective macroscopic adhesive contact behavior induced by small surface roughness

    NASA Astrophysics Data System (ADS)

    Kesari, Haneesh; Lew, Adrian J.

    2011-12-01

    In this paper we study a model contact problem involving adhesive elastic frictionless contact between rough surfaces. The problem's most notable feature is that it captures the phenomenon of depth-dependent-hysteresis (DDH) (e.g., see Kesari et al., 2010), which refers to the observation of different contact forces during the loading and unloading stages of a contact experiment. We specifically study contact between a rigid axi-symmetric punch and an elastic half-space. The roughness is represented as arbitrary periodic undulations in the punch's radial profile. These undulations induce multiple equilibrium contact regions between the bodies at each indentation-depth. Assuming that the system evolves so as to minimize its potential energy, we show that different equilibrium contact regions are selected during the loading and unloading stages at each indentation-depth, giving rise to DDH. When the period and amplitude of our model's roughness is reduced, we show that the evolution of the contact force and radius with the indentation-depth can be approximated with simpler curves, the effective macroscopic behavior, which we compute. Remarkably, the effective behavior depends solely on the amplitude and period of the model's roughness. The effective behavior is useful for estimating material properties from contact experiments displaying DDH. We show one such example here. Using the effective behavior for a particular roughness model (sinusoidal) we analyze the energy loss during a loading/unloading cycle, finding that roughness can toughen the interface. We also estimate the energy barriers between the different equilibrium contact regions at a fixed indentation-depth, which can be used to assess the importance of ambient energy fluctuations on DDH.

  18. Ordering of agarose near the macroscopic gelation point

    NASA Astrophysics Data System (ADS)

    Bulone, Donatella; Giacomazza, Daniela; Martorana, Vincenzo; Newman, Jay; San Biagio, Pier L.

    2004-04-01

    Gel formation and spatial structure is an important area of study in polymer physics and in macromolecular and cellular biophysics. Agarose has a sufficiently complex gelation mechanism to make it an interesting prototype for many other gelling systems, including those involved in amyloid fibrillogenesis. Static (over a scattering vector range of 0.1 30 μm-1) and dynamic light scattering and rheology methods were used to follow the gelation kinetics of agarose at 0.5% in water or in the presence of 25 mM NaCl and quenched to temperatures of 20 43 °C. Light scattering results on gelling samples are fully described by a fractal aggregate model with four physically meaningful parameters. In all cases aggregates, with fractal dimensions at or near 3, form more rapidly and are smaller in characteristic size at lower quench temperatures. A region three to four times larger than the aggregate becomes depleted of agarose as the gelation proceeds. Below about 30 °C the aggregation process freezes spatial ordering rapidly, resulting in fragile macroscopic gels as determined by rheology. Salt effects are seen to be minimal and not important in the fundamental aggregation mechanism.

  19. Accumulation of small protein molecules in a macroscopic complex coacervate.

    PubMed

    Lindhoud, Saskia; Claessens, Mireille M A E

    2016-01-14

    To obtain insight into the accumulation of proteins into macroscopic complex coacervate phases, the lysozyme concentration in complex coacervates containing the cationic polyelectrolyte poly-(N,N dimethylaminoethyl methacrylate) and the anionic polyelectrolyte polyacrylic acid was investigated as a function of the mixing ratio, protein concentration and ionic strength. Maximal protein enrichment of the complex coacervate phase was observed to require the presence of all three macromolecules. Under optimized conditions the protein concentrations in the complex coacervate were as high as 200 g L(-1). Such high concentrations are comparable to the protein concentration in the cytosol, suggesting that these interesting liquid phases may serve a suitable model system for the phase behavior of the cytosol and genesis and function of membrane-less organelles. The high stability of the complexes and the salt dependent uptake of protein suggest that complex coacervates may provide a way to store hydrated proteins at high concentrations and might therefore be of interest in the formulation of high protein foods.

  20. Development of macroscopic nanoporous graphene membranes for gas separation

    NASA Astrophysics Data System (ADS)

    Boutilier, Michael; Hadjiconstantinou, Nicolas; Karnik, Rohit

    2015-11-01

    Nanoporous graphene membranes have the potential to exceed permeance and selectivity limits of existing gas separation membranes due to their atomic thickness and ability to support sub-nanometer pores for molecular sieving, while offering low resistance to flow. Gas separation by graphene nanopores has been demonstrated experimentally on micron-scale membranes, but scaling-up to larger sizes is challenging due to graphene imperfections and control of the selective nanopore size distribution. Using a model we developed for the inherent permeance of graphene, we designed a macroscopic graphene membrane predicted to be selectively permeable despite material imperfections. Micrometer-scale defects are sealed by interfacial polymerization and nanometer-scale defects are sealed by atomic layer deposition. The underlying support structure is tuned to further reduce the effects of leakage. Finally, ion bombardment followed by oxidative etching is used to create a high density of selective nanopores. SEM and TEM imaging are used to characterize the resulting membrane structure, and its performance is assessed by gas permeance and selectivity measurements. This work provides insight into gas flow through nanoporous graphene membranes and guides their future development.

  1. Study of Fission Barrier Heights of Uranium Isotopes by the Macroscopic-Microscopic Method

    NASA Astrophysics Data System (ADS)

    Zhong, Chun-Lai; Fan, Tie-Shuan

    2014-09-01

    Potential energy surfaces of uranium nuclei in the range of mass numbers 229 through 244 are investigated in the framework of the macroscopic-microscopic model and the heights of static fission barriers are obtained in terms of a double-humped structure. The macroscopic part of the nuclear energy is calculated according to Lublin—Strasbourg-drop (LSD) model. Shell and pairing corrections as the microscopic part are calculated with a folded-Yukawa single-particle potential. The calculation is carried out in a five-dimensional parameter space of the generalized Lawrence shapes. In order to extract saddle points on the potential energy surface, a new algorithm which can effectively find an optimal fission path leading from the ground state to the scission point is developed. The comparison of our results with available experimental data and others' theoretical results confirms the reliability of our calculations.

  2. A review of macroscopic ductile failure criteria.

    SciTech Connect

    Corona, Edmundo; Reedlunn, Benjamin

    2013-09-01

    The objective of this work was to describe several of the ductile failure criteria com- monly used to solve practical problems. The following failure models were considered: equivalent plastic strain, equivalent plastic strain in tension, maximum shear, Mohr- Coulomb, Wellman's tearing parameter, Johnson-Cook and BCJ MEM. The document presents the main characteristics of each failure model as well as sample failure predic- tions for simple proportional loading stress histories in three dimensions and in plane stress. Plasticity calculations prior to failure were conducted with a simple, linear hardening, J2 plasticity model. The resulting failure envelopes were plotted in prin- cipal stress space and plastic strain space, where the dependence on stress triaxiality and Lode angle are clearly visible. This information may help analysts select a ductile fracture model for a practical problem and help interpret analysis results.

  3. Studies into the averaging problem: Macroscopic gravity and precision cosmology

    NASA Astrophysics Data System (ADS)

    Wijenayake, Tharake S.

    2016-08-01

    With the tremendous improvement in the precision of available astrophysical data in the recent past, it becomes increasingly important to examine some of the underlying assumptions behind the standard model of cosmology and take into consideration nonlinear and relativistic corrections which may affect it at percent precision level. Due to its mathematical rigor and fully covariant and exact nature, Zalaletdinov's macroscopic gravity (MG) is arguably one of the most promising frameworks to explore nonlinearities due to inhomogeneities in the real Universe. We study the application of MG to precision cosmology, focusing on developing a self-consistent cosmology model built on the averaging framework that adequately describes the large-scale Universe and can be used to study real data sets. We first implement an algorithmic procedure using computer algebra systems to explore new exact solutions to the MG field equations. After validating the process with an existing isotropic solution, we derive a new homogeneous, anisotropic and exact solution. Next, we use the simplest (and currently only) solvable homogeneous and isotropic model of MG and obtain an observable function for cosmological expansion using some reasonable assumptions on light propagation. We find that the principal modification to the angular diameter distance is through the change in the expansion history. We then linearize the MG field equations and derive a framework that contains large-scale structure, but the small scale inhomogeneities have been smoothed out and encapsulated into an additional cosmological parameter representing the averaging effect. We derive an expression for the evolution of the density contrast and peculiar velocities and integrate them to study the growth rate of large-scale structure. We find that increasing the magnitude of the averaging term leads to enhanced growth at late times. Thus, for the same matter content, the growth rate of large scale structure in the MG model

  4. Macroscopic magnetic islands and plasma energy transport

    SciTech Connect

    Cima, G; Porcelli, F; Rossi, E; Wootton, A J

    1998-12-03

    A model is presented, based on the combined effects of m=n=l magnetic island dynamics, localized heat sources, large heat diffusivity along magnetic field lines and plasma rotation, which may explain the multipeaked temperature profiles and transport barriers observed in tokamak plasmas heated by electron cyclotron resonant waves.

  5. Bell-inequality tests with macroscopic entangled states of light

    SciTech Connect

    Stobinska, M.; Sekatski, P.; Gisin, N.; Buraczewski, A.; Leuchs, G.

    2011-09-15

    Quantum correlations may violate the Bell inequalities. Most experimental schemes confirming this prediction have been realized in all-optical Bell tests suffering from the detection loophole. Experiments which simultaneously close this loophole and the locality loophole are highly desirable and remain challenging. An approach to loophole-free Bell tests is based on amplification of the entangled photons (i.e., on macroscopic entanglement), for which an optical signal should be easy to detect. However, the macroscopic states are partially indistinguishable by classical detectors. An interesting idea to overcome these limitations is to replace the postselection by an appropriate preselection immediately after the amplification. This is in the spirit of state preprocessing revealing hidden nonlocality. Here, we examine one of the possible preselections, but the presented tools can be used for analysis of other schemes. Filtering methods making the macroscopic entanglement useful for Bell tests and quantum protocols are the subject of an intensive study in the field nowadays.

  6. The Advantages of Not Entangling Macroscopic Diamonds at Room Temperature

    PubMed Central

    Brezinski, Mark E.

    2013-01-01

    The recent paper entitled by K. C. Lee et al. (2011) establishes nonlocal macroscopic quantum correlations, which they term “entanglement”, under ambient conditions. Photon(s)-phonon entanglements are established within each interferometer arm. However, our analysis demonstrates, the phonon fields between arms become correlated as a result of single-photon wavepacket path indistinguishability, not true nonlocal entanglement. We also note that a coherence expansion (as opposed to decoherence) resulted from local entanglement which was not recognized. It occurred from nearly identical Raman scattering in each arm (importantly not meeting the Born and Markovian approximations). The ability to establish nonlocal macroscopic quantum correlations through path indistinguishability rather than entanglement offers the opportunity to greatly expand quantum macroscopic theory and application, even though it was not true nonlocal entanglement. PMID:27429619

  7. Electron transmission through a macroscopic platinum capillary

    NASA Astrophysics Data System (ADS)

    Borka, D.; Borka Jovanović, V.; Lemell, C.; Tőkési, K.

    2017-09-01

    We present simulations for electron transmission through a platinum macrocapillary (diameter d = 3.3 mm, length l = 48 mm) using classical transport theory. Both elastic and inelastic scattering events of primary electrons colliding with the inner wall of the capillary are taken into account. We also model the generation and transport of secondary electrons inside the material. We find excellent agreement of our simulated electron-energy spectra with recent experimental data for 200 eV primary electrons.

  8. Scaling of macroscopic superpositions close to a quantum phase transition

    NASA Astrophysics Data System (ADS)

    Abad, Tahereh; Karimipour, Vahid

    2016-05-01

    It is well known that in a quantum phase transition (QPT), entanglement remains short ranged [Osterloh et al., Nature (London) 416, 608 (2005), 10.1038/416608a]. We ask if there is a quantum property entailing the whole system which diverges near this point. Using the recently proposed measures of quantum macroscopicity, we show that near a quantum critical point, it is the effective size of macroscopic superposition between the two symmetry breaking states which grows to the scale of system size, and its derivative with respect to the coupling shows both singular behavior and scaling properties.

  9. Microscopic and macroscopic infarct complicating pediatric epilepsy surgery.

    PubMed

    Rubinger, Luc; Hazrati, Lili-Naz; Ahmed, Raheel; Rutka, James; Snead, Carter; Widjaja, Elysa

    2017-03-01

    There is some suggestion that microscopic infarct could be associated with invasive monitoring, but it is unclear if the microscopic infarct is also visible on imaging and associated with neurologic deficits. The aims of this study were to assess the rates of microscopic and macroscopic infarct and other major complications of pediatric epilepsy surgery, and to determine if these complications were higher following invasive monitoring. We reviewed the epilepsy surgery data from a tertiary pediatric center, and collected data on microscopic infarct on histology and macroscopic infarct on postoperative computed tomography (CT) or magnetic resonance imaging (MRI) done one day after surgery and major complications. Three hundred fifty-two patients underwent surgical resection and there was one death. Forty-two percent had invasive monitoring. Thirty patients (9%) had microscopic infarct. Univariable analyses showed that microscopic infarct was higher among patients with invasive monitoring relative to no invasive monitoring (20% vs. 0.5%, respectively, p < 0.001). Eighteen patients (5%) had macroscopic infarct on CT or MRI. Univariable analysis showed no significant difference in macroscopic infarct between invasive monitoring and no invasive monitoring (8% vs. 3%, respectively, p = 0.085). One patient with microscopic infarct had transient right hemiparesis, and two with both macroscopic and microscopic infarct had unexpected persistent neurologic deficits. Thirty-two major complications (9.1%) were reported, with no difference in major complications between invasive monitoring and no invasive monitoring (10% vs. 7%, p = 0.446). In the multivariable analysis, invasive monitoring increased the odds of microscopic infarct (odds ratio [OR] 15.87, p = 0.009), but not macroscopic infarct (OR 2.6, p = 0.173) or major complications (OR 1.4, p = 0.500), after adjusting for age at surgery, sex, age at seizure onset, operative type, and operative location. Microscopic infarct

  10. Quasineutral Hybrid Simulation of Macroscopic Plasma.

    DTIC Science & Technology

    1981-09-14

    number, is evident. These observations are in agreement with the theoretical predictions nf Freidberg and Pearlstein’ and Seyler7. Figure 5 shows the...D.S. Harned, "Kink Instabilities in Long Ion Layerso, in preparation for submittal to Phys. Fluids. S. R.L. Morse and J.P. Freidberg , "Rigid Drift...Model of High-Temperature Plasma Containment", Phys. Fluids 13, pp. 531-533 (1970). 6 J.P. Freidberg and L.D. Pearlstein, "Rotational Instabilities in a

  11. Determination of macroscopic transport coefficients of a dissipative particle dynamics solvent

    NASA Astrophysics Data System (ADS)

    Azarnykh, Dmitrii; Litvinov, Sergey; Bian, Xin; Adams, Nikolaus A.

    2016-01-01

    We present an approach to determine macroscopic transport coefficients of a dissipative particle dynamics (DPD) solvent. Shear viscosity, isothermal speed of sound, and bulk viscosity result from DPD-model input parameters and can be determined only a posteriori. For this reason approximate predictions of these quantities are desirable in order to set appropriate DPD input parameters. For the purpose of deriving an improved approximate prediction we analyze the autocorrelation of shear and longitudinal modes in Fourier space of a DPD solvent for Kolmogorov flow. We propose a fitting function with nonexponential properties which gives a good approximation to these autocorrelation functions. Given this fitting function we improve significantly the capability of a priori determination of macroscopic solvent transport coefficients in comparison to previously used exponential fitting functions.

  12. Decoherence-free emergence of macroscopic local realism for entangled photons in a cavity

    SciTech Connect

    Portolan, S.; Rossi, F.; Di Stefano, O.; Savasta, S.; Girlanda, R.

    2006-02-15

    We investigate the influence of environmental noise on polarization entangled light generated by parametric emission in a cavity. By adopting a recent separability criterion, we show that (i) self-stimulation may suppress the detrimental influence of noise on entanglement, but (ii) once it becomes effective, a noise-equipped classical model of parametric emission provides the same results of quantum theory with respect to the separability criterion. More generally we also show that, in the macroscopic limit, it is not possible to observe violations of local realism with measurements of finite order n-particle correlations only. These results provide a prototypical case of the emergence of macroscopic local realism in the presence of strong entanglement even in the absence of decoherence.

  13. A macroscopic relationship for preferential flow in the vadose zone: Theory and Validation

    SciTech Connect

    Liu, H.H.; Zhang, R.D.

    2010-02-15

    Preferential flow commonly observed in unsaturated soils allows rapid movement of solute from the ground surface or vadose zone to the groundwater, bypassing a significant volume of unsaturated soil and increasing the risk of groundwater contamination. A variety of evidence indicates that complex preferential flow patterns observed from fields are fractals. This paper discusses a macroscopic rela-tionship for modeling preferential flow in the vadose zone. Conceptually, the flow domain can be di-vided into active and inactive regions. Flow occurs preferentially in the active region (characterized by fractals), and inactive region is simply bypassed. The portion of the active region was found to be a power function of saturation. The validity of this macroscopic relationship is demonstrated by its consistency with field observations and the related numerical experiments.

  14. Macroscopic nucleation phenomena in continuum media with long-range interactions

    PubMed Central

    Nishino, Masamichi; Enachescu, Cristian; Miyashita, Seiji; Rikvold, Per Arne; Boukheddaden, Kamel; Varret, François

    2011-01-01

    Nucleation, commonly associated with discontinuous transformations between metastable and stable phases, is crucial in fields as diverse as atmospheric science and nanoscale electronics. Traditionally, it is considered a microscopic process (at most nano-meter), implying the formation of a microscopic nucleus of the stable phase. Here we show for the first time, that considering long-range interactions mediated by elastic distortions, nucleation can be a macroscopic process, with the size of the critical nucleus proportional to the total system size. This provides a new concept of “macroscopic barrier-crossing nucleation”. We demonstrate the effect in molecular dynamics simulations of a model spin-crossover system with two molecular states of different sizes, causing elastic distortions. PMID:22355677

  15. Localization of deformation and loss of macroscopic ellipticity in microstructured solids

    NASA Astrophysics Data System (ADS)

    Santisi d'Avila, M. P.; Triantafyllidis, N.; Wen, G.

    2016-12-01

    Localization of deformation, a precursor to failure in solids, is a crucial and hence widely studied problem in solid mechanics. The continuum modeling approach of this phenomenon studies conditions on the constitutive laws leading to the loss of ellipticity in the governing equations, a property that allows for discontinuous equilibrium solutions. Micro-mechanics models and nonlinear homogenization theories help us understand the origins of this behavior and it is thought that a loss of macroscopic (homogenized) ellipticity results in localized deformation patterns. Although this is the case in many engineering applications, it raises an interesting question: is there always a localized deformation pattern appearing in solids losing macroscopic ellipticity when loaded past their critical state? In the interest of relative simplicity and analytical tractability, the present work answers this question in the restrictive framework of a layered, nonlinear (hyperelastic) solid in plane strain and more specifically under axial compression along the lamination direction. The key to the answer is found in the homogenized post-bifurcated solution of the problem, which for certain materials is supercritical (increasing force and displacement), leading to post-bifurcated equilibrium paths in these composites that show no localization of deformation for macroscopic strain well above the one corresponding to loss of ellipticity.

  16. Macroscopic Stiffness of Breast Tumors Predicts Metastasis

    PubMed Central

    Fenner, Joseph; Stacer, Amanda C.; Winterroth, Frank; Johnson, Timothy D.; Luker, Kathryn E.; Luker, Gary D.

    2014-01-01

    Mechanical properties of tumors differ substantially from normal cells and tissues. Changes in stiffness or elasticity regulate pro-metastatic behaviors of cancer cells, but effects have been documented predominantly in isolated cells or in vitro cell culture systems. To directly link relative stiffness of tumors to cancer progression, we combined a mouse model of metastatic breast cancer with ex vivo measurements of bulk moduli of freshly excised, intact tumors. We found a high, inverse correlation between bulk modulus of resected tumors and subsequent local recurrence and metastasis. More compliant tumors were associated with more frequent, larger local recurrences and more extensive metastases than mice with relatively stiff tumors. We found that collagen content of resected tumors correlated with bulk modulus values. These data establish that relative differences in tumor stiffness correspond with tumor progression and metastasis, supporting further testing and development of tumor compliance as a prognostic biomarker in breast cancer. PMID:24981707

  17. Probing deformed commutators with macroscopic harmonic oscillators

    PubMed Central

    Bawaj, Mateusz; Biancofiore, Ciro; Bonaldi, Michele; Bonfigli, Federica; Borrielli, Antonio; Di Giuseppe, Giovanni; Marconi, Lorenzo; Marino, Francesco; Natali, Riccardo; Pontin, Antonio; Prodi, Giovanni A.; Serra, Enrico; Vitali, David; Marin, Francesco

    2015-01-01

    A minimal observable length is a common feature of theories that aim to merge quantum physics and gravity. Quantum mechanically, this concept is associated with a nonzero minimal uncertainty in position measurements, which is encoded in deformed commutation relations. In spite of increasing theoretical interest, the subject suffers from the complete lack of dedicated experiments and bounds to the deformation parameters have just been extrapolated from indirect measurements. As recently proposed, low-energy mechanical oscillators could allow to reveal the effect of a modified commutator. Here we analyze the free evolution of high-quality factor micro- and nano-oscillators, spanning a wide range of masses around the Planck mass mP (≈22 μg). The direct check against a model of deformed dynamics substantially lowers the previous limits on the parameters quantifying the commutator deformation. PMID:26088965

  18. Emergence of macroscopic directed motion in populations of motile colloids

    NASA Astrophysics Data System (ADS)

    Bricard, Antoine; Caussin, Jean-Baptiste; Desreumaux, Nicolas; Dauchot, Olivier; Bartolo, Denis

    2013-11-01

    From the formation of animal flocks to the emergence of coordinated motion in bacterial swarms, populations of motile organisms at all scales display coherent collective motion. This consistent behaviour strongly contrasts with the difference in communication abilities between the individuals. On the basis of this universal feature, it has been proposed that alignment rules at the individual level could solely account for the emergence of unidirectional motion at the group level. This hypothesis has been supported by agent-based simulations. However, more complex collective behaviours have been systematically found in experiments, including the formation of vortices, fluctuating swarms, clustering and swirling. All these (living and man-made) model systems (bacteria, biofilaments and molecular motors, shaken grains and reactive colloids) predominantly rely on actual collisions to generate collective motion. As a result, the potential local alignment rules are entangled with more complex, and often unknown, interactions. The large-scale behaviour of the populations therefore strongly depends on these uncontrolled microscopic couplings, which are extremely challenging to measure and describe theoretically. Here we report that dilute populations of millions of colloidal rolling particles self-organize to achieve coherent motion in a unique direction, with very few density and velocity fluctuations. Quantitatively identifying the microscopic interactions between the rollers allows a theoretical description of this polar-liquid state. Comparison of the theory with experiment suggests that hydrodynamic interactions promote the emergence of collective motion either in the form of a single macroscopic `flock', at low densities, or in that of a homogenous polar phase, at higher densities. Furthermore, hydrodynamics protects the polar-liquid state from the giant density fluctuations that were hitherto considered the hallmark of populations of self-propelled particles. Our

  19. Emergence of macroscopic directed motion in populations of motile colloids.

    PubMed

    Bricard, Antoine; Caussin, Jean-Baptiste; Desreumaux, Nicolas; Dauchot, Olivier; Bartolo, Denis

    2013-11-07

    From the formation of animal flocks to the emergence of coordinated motion in bacterial swarms, populations of motile organisms at all scales display coherent collective motion. This consistent behaviour strongly contrasts with the difference in communication abilities between the individuals. On the basis of this universal feature, it has been proposed that alignment rules at the individual level could solely account for the emergence of unidirectional motion at the group level. This hypothesis has been supported by agent-based simulations. However, more complex collective behaviours have been systematically found in experiments, including the formation of vortices, fluctuating swarms, clustering and swirling. All these (living and man-made) model systems (bacteria, biofilaments and molecular motors, shaken grains and reactive colloids) predominantly rely on actual collisions to generate collective motion. As a result, the potential local alignment rules are entangled with more complex, and often unknown, interactions. The large-scale behaviour of the populations therefore strongly depends on these uncontrolled microscopic couplings, which are extremely challenging to measure and describe theoretically. Here we report that dilute populations of millions of colloidal rolling particles self-organize to achieve coherent motion in a unique direction, with very few density and velocity fluctuations. Quantitatively identifying the microscopic interactions between the rollers allows a theoretical description of this polar-liquid state. Comparison of the theory with experiment suggests that hydrodynamic interactions promote the emergence of collective motion either in the form of a single macroscopic 'flock', at low densities, or in that of a homogenous polar phase, at higher densities. Furthermore, hydrodynamics protects the polar-liquid state from the giant density fluctuations that were hitherto considered the hallmark of populations of self-propelled particles. Our

  20. On the macroscopic response, microstructure evolution, and macroscopic stability of short-fiber-reinforced elastomers at finite strains: II - Representative examples

    NASA Astrophysics Data System (ADS)

    Avazmohammadi, Reza; Ponte Castañeda, Pedro

    2014-04-01

    In Part I of this work, we presented a homogenization-based constitutive model for the overall behavior of reinforced elastomers consisting of aligned, spheroidal particles distributed randomly in an incompressible, hyperelastic matrix. In particular, we provided analytical estimates for the effective stored-energy functions of the composites, as well as for the associated average particle rotations under finite deformations. The rotation of the particles is found to be very sensitive to the specific loading conditions applied, and is such that the particles tend to align themselves with the largest tensile direction. In addition, we obtained corresponding formulae for the detection of macroscopic instabilities in these composites. With the objective of illustrating the key features of the analytical results presented in Part I, we conduct here a more detailed study of these results for several representative values of the microstructural and loading parameters, as well as matrix properties. More specifically, this study deals with neo-Hookean and Gent elastomers reinforced with spheroidal particles of prolate and oblate shapes with various aspect ratios and volume fractions, subjected to aligned and non-aligned macroscopic loading conditions. In addition, to assess the accuracy of the model, we compare our results with corresponding finite element results available from the literature for the special case of spherical particles, and good agreement is found. For non-spherical particles, the results indicate that the possible rotation of the particles has a major influence on the overall response of the elastomeric composites. Furthermore, it is found that the composite may develop macroscopic shear localization instabilities, as a consequence of the geometric softening induced by the sudden rotation - or flopping - of the particles, when a sufficiently large amount of compression is applied along the long axes of the particles.

  1. Probing the spectral and temporal structures of macroscopic high-order harmonic generation of He in intense ultrashort laser pulses

    NASA Astrophysics Data System (ADS)

    Li, Peng-Cheng; Liu, I.-Lin; Laughlin, Cecil; Chu, Shih-I.

    2012-06-01

    We present an accurate study of macroscopic high-order harmonic generation (HHG) from He atoms in intense ultrashort laser pulses. An accurate one-electron model potential is constructed for the description of the He atoms low-lying and Rydberg states. The macroscopic high-order harmonic spectra from He atoms are obtained by solving Maxwell's equation using macroscopic single-atom induced dipole moment. Macroscopic single-atom induced dipole moment can be obtained by solving accurately the time-dependent Schr"odinger equation (TDSE) using the time-dependent generalized pseudospectral method (TDGPS). This method allows accurate and efficient propagation of the wave function with a modest number of spatial grid points, leading to the efficient treatment of the macroscopic propagation effects for HHG. Our results show fine structure and significant enhancement of the intensities of the lower harmonics due to the resonance transitions between bound states. We explain the temporal and spatial characteristics of HHG by means of the wavelet time-frequency analysis. These analyses help to understand the detailed HHG mechanisms from He atoms.

  2. Macroscopic stability of high β MAST plasmas

    NASA Astrophysics Data System (ADS)

    Chapman, I. T.; Cooper, W. A.; Graves, J. P.; Gryaznevich, M. P.; Hastie, R. J.; Hender, T. C.; Howell, D. F.; Hua, M.-D.; Huysmans, G. T. A.; Keeling, D. L.; Liu, Y. Q.; Meyer, H. F.; Michael, C. A.; Pinches, S. D.; Saarelma, S.; Sabbagh, S. A.; MAST Team

    2011-07-01

    The high-beta capability of the spherical tokamak, coupled with a suite of world-leading diagnostics on MAST, has facilitated significant improvements in the understanding of performance-limiting core instabilities in high performance plasmas. For instance, the newly installed motional Stark effect diagnostic, with radial resolution <25 mm, has enabled detailed study of saturated long-lived modes in hybrid scenarios. Similarly, the upgraded Thomson scattering system, with radial resolution <10 mm and the possibility of temporal resolution of 1 µs, has allowed detailed analysis of the density and temperature profiles during transient activity in the plasma, such as at a sawtooth crash. High resolution charge exchange recombination spectroscopy provided measurement of rotation braking induced by both applied magnetic fields and by magnetohydrodynamic (MHD) instabilities, allowing tests of neoclassical toroidal viscosity theory predictions. Finally, MAST is also equipped with internal and external coils that allow non-axisymmetric fields to be applied for active MHD spectroscopy of instabilities near the no-wall beta limit. MAST has been able to operate above the pressure at which the resonant field amplification is observed to strongly increase. In order to access such high pressures, the resistive wall mode must be damped, and so numerical modelling has focused on assessing the kinetic damping of the mode and its nonlinear interaction with other instabilities. The enhanced understanding of the physical mechanisms driving deleterious MHD activity given by these leading-edge capabilities has provided guidance to optimize operating scenarios for improved plasma performance.

  3. Production of squeezed states for macroscopic mechanical oscillator

    NASA Technical Reports Server (NTRS)

    Kulagin, V. V.

    1994-01-01

    The possibility of squeezed states generation for macroscopic mechanical oscillator is discussed. It is shown that one can obtain mechanical oscillator in squeezed state via coupling it to electromagnetic oscillator (Fabry-Perot resonator) and pumping this Fabry-Perot resonator with a field in squeezed state. The degradation of squeezing due to mechanical and optical losses is also analyzed.

  4. Mesoscopic kinetic basis of macroscopic chemical thermodynamics: A mathematical theory.

    PubMed

    Ge, Hao; Qian, Hong

    2016-11-01

    Gibbs' macroscopic chemical thermodynamics is one of the most important theories in chemistry. Generalizing it to mesoscaled nonequilibrium systems is essential to biophysics. The nonequilibrium stochastic thermodynamics of chemical reaction kinetics suggested a free energy balance equation dF^{(meso)}/dt=E_{in}-e_{p} in which the free energy input rate E_{in} and dissipation rate e_{p} are both non-negative, and E_{in}≤e_{p}. We prove that in the macroscopic limit by merely allowing the molecular numbers to be infinite, the generalized mesoscopic free energy F^{(meso)} converges to φ^{ss}, the large deviation rate function for the stationary distributions. This generalized macroscopic free energy φ^{ss} now satisfies a balance equation dφ^{ss}(x)/dt=cmf(x)-σ(x), in which x represents chemical concentration. The chemical motive force cmf(x) and entropy production rate σ(x) are both non-negative, and cmf(x)≤σ(x). The balance equation is valid generally in isothermal driven systems and is different from mechanical energy conservation and the first law; it is actually an unknown form of the second law. Consequences of the emergent thermodynamic quantities and equalities are further discussed. The emergent "law" is independent of underlying kinetic details. Our theory provides an example showing how a macroscopic law emerges from a level below.

  5. Mesoscopic kinetic basis of macroscopic chemical thermodynamics: A mathematical theory

    NASA Astrophysics Data System (ADS)

    Ge, Hao; Qian, Hong

    2016-11-01

    Gibbs' macroscopic chemical thermodynamics is one of the most important theories in chemistry. Generalizing it to mesoscaled nonequilibrium systems is essential to biophysics. The nonequilibrium stochastic thermodynamics of chemical reaction kinetics suggested a free energy balance equation d F(meso)/d t =Ein-ep in which the free energy input rate Ein and dissipation rate ep are both non-negative, and Ein≤ep . We prove that in the macroscopic limit by merely allowing the molecular numbers to be infinite, the generalized mesoscopic free energy F(meso) converges to φss, the large deviation rate function for the stationary distributions. This generalized macroscopic free energy φss now satisfies a balance equation d φss(x ) /d t =cmf(x ) -σ (x ) , in which x represents chemical concentration. The chemical motive force cmf(x ) and entropy production rate σ (x ) are both non-negative, and cmf(x )≤σ (x ) . The balance equation is valid generally in isothermal driven systems and is different from mechanical energy conservation and the first law; it is actually an unknown form of the second law. Consequences of the emergent thermodynamic quantities and equalities are further discussed. The emergent "law" is independent of underlying kinetic details. Our theory provides an example showing how a macroscopic law emerges from a level below.

  6. A Macroscopic Analogue of the Nuclear Pairing Potential

    ERIC Educational Resources Information Center

    Dunlap, Richard A.

    2013-01-01

    A macroscopic system involving permanent magnets is used as an analogue to nucleons in a nucleus to illustrate the significance of the pairing interaction. This illustrates that the view of the total nuclear energy based only on the nucleon occupancy of the energy levels can yield erroneous results and it is only when the pairing interaction is…

  7. LEAD SORPTION ON RUTHENIUM OXIDE: A MACROSCOPIC AND SPECTROSCOPIC STUDY

    EPA Science Inventory

    The sorption and desorption of Pb on RuO2 xH2O were examined kinetically and thermodynamically via spectroscopic and macroscopic investigations. X-ray absorption spectroscopy (XAS) was employed to determine the sorption mechanism with regard to identity of nearest atomic neighbo...

  8. LEAD SORPTION ON RUTHENIUM OXIDE: A MACROSCOPIC AND SPECTROSCOPIC STUDY

    EPA Science Inventory

    The sorption and desorption of Pb on RuO2 xH2O were examined kinetically and thermodynamically via spectroscopic and macroscopic investigations. X-ray absorption spectroscopy (XAS) was employed to determine the sorption mechanism with regard to identity of nearest atomic neighbo...

  9. Implementing the Deutsch-Jozsa algorithm with macroscopic ensembles

    NASA Astrophysics Data System (ADS)

    Semenenko, Henry; Byrnes, Tim

    2016-05-01

    Quantum computing implementations under consideration today typically deal with systems with microscopic degrees of freedom such as photons, ions, cold atoms, and superconducting circuits. The quantum information is stored typically in low-dimensional Hilbert spaces such as qubits, as quantum effects are strongest in such systems. It has, however, been demonstrated that quantum effects can be observed in mesoscopic and macroscopic systems, such as nanomechanical systems and gas ensembles. While few-qubit quantum information demonstrations have been performed with such macroscopic systems, a quantum algorithm showing exponential speedup over classical algorithms is yet to be shown. Here, we show that the Deutsch-Jozsa algorithm can be implemented with macroscopic ensembles. The encoding that we use avoids the detrimental effects of decoherence that normally plagues macroscopic implementations. We discuss two mapping procedures which can be chosen depending upon the constraints of the oracle and the experiment. Both methods have an exponential speedup over the classical case, and only require control of the ensembles at the level of the total spin of the ensembles. It is shown that both approaches reproduce the qubit Deutsch-Jozsa algorithm, and are robust under decoherence.

  10. Vascular flora and macroscopic fauna on the Fernow Experimental Forest

    Treesearch

    Darlene M. Madarish; Jane L. Rodrigue; Mary Beth Adams

    2002-01-01

    This report is the first comprehensive inventory of the vascular flora and macroscopic fauna known to occur within the Fernow Experimental Forest in north-central West Virignia. The compendium is based on information obtained from previous surveys, current research, and the personal observations of USDA Forest Service personnel and independent scientists. More than 750...

  11. Stereodynamics: From elementary processes to macroscopic chemical reactions

    SciTech Connect

    Kasai, Toshio; Che, Dock-Chil; Tsai, Po-Yu; Lin, King-Chuen; Palazzetti, Federico; Aquilanti, Vincenzo

    2015-12-31

    This paper aims at discussing new facets on stereodynamical behaviors in chemical reactions, i.e. the effects of molecular orientation and alignment on reactive processes. Further topics on macroscopic processes involving deviations from Arrhenius behavior in the temperature dependence of chemical reactions and chirality effects in collisions are also discussed.

  12. Macroscopic and histological variations in the cellular tapetum in dogs.

    PubMed

    Yamaue, Yasuhiro; Hosaka, Yoshinao Z; Uehara, Masato

    2014-08-01

    We aimed to document macroscopic variations in the cellular tapetum in the dog, to provide a histologic description of the macroscopic results and to evaluate the correlation between the macroscopic appearance and aging. Fifty three dogs including 5 beagles, 1 Chihuahua and 47 mixed breeds of each gender were used. For a macroscopic study, the fresh tapetal fundi were photographed using digital camera. For a histological study, the glutaraldehyde-formalin fixed eyes were embedded in nitrocellulose and stained with hematoxylin-eosin or thionine. The normal tapetum was triangular with the rounded angles and the smooth contour. The atypical tapetum was smaller and more variable in shape, contour and color than the normal one. In severe cases, the fundus was devoid of the tapetum. The atypical tapetum tended to increase in frequency with aging. Retinal pigment epithelial cells on the normal tapetum were unpigmented. In the eye with the atypical tapetum, regardless of tapetal size and shape, unpigmented retinal pigment epithelial cells showed a similar distribution to that on the normal tapetum, even in a dog without a tapetum. Although there is a congenitally hypoplastic tapetum, the atypical tapetum tends to increase in incidence and severity with aging.

  13. From macroscopic yield criteria to atomic stresses in polymer glasses

    SciTech Connect

    MacNeill, David; Rottler, Joerg

    2010-01-15

    The relationship between macroscopic shear yield criteria and local stress distributions in deformed polymer glasses is investigated via molecular dynamics simulations on different scales of coarse-graining. Macroscopic shear stresses at the yield point obey a pressure-modified von Mises (pmvM) criterion for many different loading conditions and strain rates. Average local stresses in small volume elements obey the same yield criterion for volumes containing approx. 100 atoms or more. Qualitatively different behavior is observed on smaller scales: the average octahedral atomic shear stress has a simple linear relationship to hydrostatic pressure regardless of macroscopic stress state and failure mode. Local plastic events are identified through a threshold in the mean-squared nonaffine displacement and compared to the local stress state. We find that the pmvM criterion only predicts local yield events when stress and displacements are averaged over at least 100 atoms. By contrast, macroscopic shear yield criteria appear to lose their ability to predict plastic activity on the atomic scale.

  14. [Macroscopic observations on corneal epithelial wound healing in the rabbit].

    PubMed

    Hayashi, K

    1991-02-01

    A newly-developed macroscope was applied to observe the healing process of corneal epithelial wound in vivo. After removing epithelium of the central cornea, the changes of the corneal surface were observed with the macroscope and the findings were compared with histological examinations. At 12 hours after abrasion, areas unstained with Richardson's staining (R staining) appeared. In the histological section, a single layer of regenerating epithelial cells covered the same area. At 24 and 36 hours after abrasion, the epithelial defects became smaller but surrounding epithelium was rough and showed dot-like staining with R solution. By 2 days, the epithelial defects disappeared. On macroscopic observation, the central corneal surface showed a pavement-like appearance. Histology revealed that the regenerating epithelium still consisted of one or two layers. At 3 days, dot-like stainings were present only in the center and the corneal surface appeared considerably smooth. Histology also showed that regenerating epithelium became columnar and multilayered, thereby suggesting stratification. By 7 days, the abraded corneal surface had recovered its smooth appearance. Histologic sections also demonstrated that the epithelium had regained its normal structure. Thus, using this macroscope, findings suggesting the process of epithelial migration and proliferation could be observed.

  15. Generation of macroscopic superposition states with small nonlinearity

    SciTech Connect

    Jeong, H.; Ralph, T.C.; Kim, M. S.; Ham, B.S.

    2004-12-01

    We suggest a scheme to generate a macroscopic superposition state ('Schroedinger cat state') of a free-propagating optical field using a beam splitter, homodyne measurement, and a very small Kerr nonlinear effect. Our scheme makes it possible to reduce considerably the required nonlinear effect to generate an optical cat state using simple and efficient optical elements.

  16. Management of macroscopic haematuria in the emergency department.

    PubMed

    Hicks, Derek; Li, Chi-Ying

    2007-06-01

    Macroscopic haematuria is a commonly seen condition in the emergency department (ED), which has a variety of causes. However, most importantly, macroscopic haematuria has a high diagnostic yield for urological malignancy. 30% of patients presenting with painless haematuria are found to have a malignancy. The majority of these patients can be managed in the outpatient setting. This review of current literature suggests a management pathway that can be used in the ED. A literature search was done using Medline, PubMed and Google. In men aged >60 years, the positive predictive value of macroscopic haematuria for urological malignancy is 22.1%, and in women of the same age it is 8.3%. In terms of the need for follow-up investigation, a single episode of haematuria is equally important as recurrent episodes. Baseline investigation in the ED includes full blood count, urea and electrolyte levels, midstream urine dipstick, beta human chorionic gonadotrophin, and formal microscopy, culture and sensitivities. Treatment of macroscopic haematuria aims at RESP--Resuscitation, Ensuring, Safe and Prompt. Indications for admission include clot retention, cardiovascular instability, uncontrolled pain, sepsis, acute renal failure, coagulopathy, severe comorbidity, heavy haematuria or social restrictions. Discharged patients should drink plenty of clear fluids and return for further medical attention if the following occur: clot retention, worsening haematuria despite adequate fluid intake, uncontrolled pain or fever, or inability to cope at home. Follow-up by a urological team should be promptly arranged, ideally within the 2-week cancer referral target.

  17. Cation diffusion in the interlayer space of swelling clay minerals - A combined macroscopic and microscopic study

    NASA Astrophysics Data System (ADS)

    Tertre, Emmanuel; Delville, Alfred; Prêt, Dimitri; Hubert, Fabien; Ferrage, Eric

    2015-01-01

    This study investigates the diffusion process of calcium cations confined in the interlayer space of 5 mm disks of vermiculite swelling clay minerals during the Na-for-Ca exchange process. Diffusion experiments were performed at four NaCl salinities (3 × 10-3, 5 × 10-2, 0.1 and 1 M) of the exchanger solution. A macroscopic analysis of the diffusion process based on the aqueous calcium concentrations released in the solution and on Ca-profiles obtained in the solid was performed using a pore diffusion model that has been classically used in the literature. The results obtained at the macroscopic scale showed that the apparent diffusion coefficients describing both aqueous and profiles data for Ca depend on the diffusion time and salinity of the aqueous reservoir. Such variations suggested that interlayer diffusion was driven by (1) the gradient of the sorbed species in the interlayer, which depends on the diffusion time due to the ion exchange equilibrium; and (2) the discontinuity, due to Donnan equilibrium, existing at the limit between the "internal disk border" and the "external disk border" in contact with the aqueous reservoir. Then, a set of molecular and Brownian dynamics simulations was used to (1) assess such interpretations and (2) quantitatively predict aqueous and profile data obtained at the macroscopic scale. For an aqueous reservoir with high salinity (1 M NaCl), a good agreement was obtained between the macroscopic data and the predictions obtained from Brownian dynamics simulations, confirming the role played by the gradient of the interlayer species that is suggested at the macroscopic scale and which is at the basis of the "surface diffusion models" published in literature. In addition, for aqueous reservoirs with lower salinity (5 × 10-2 M), the results obtained by Brownian dynamics simulations and normalized to the exchange rate measured at infinite time showed that the diffusion properties of the species in the aqueous reservoir cannot be

  18. Thermophoresis of dissolved molecules and polymers: Consideration of the temperature-induced macroscopic pressure gradient.

    PubMed

    Semenov, Semen; Schimpf, Martin

    2004-01-01

    The movement of molecules and homopolymer chains dissolved in a nonelectrolyte solvent in response to a temperature gradient is considered a consequence of temperature-induced pressure gradients in the solvent layer surrounding the solute molecules. Local pressure gradients are produced by nonuniform London-van der Waals interactions, established by gradients in the concentration (density) of solvent molecules. The density gradient is produced by variations in solvent thermal expansion within the nonuniform temperature field. The resulting expression for the velocity of the solute contains the Hamaker constants for solute-solvent and solute-solute interactions, the radius of the solute molecule, and the viscosity and cubic coefficient of thermal expansion of the solvent. In this paper we consider an additional force that arises from directional asymmetry in the interaction between solvent molecules. In a closed cell, the resulting macroscopic pressure gradient gives rise to a volume force that affects the motion of dissolved solutes. An expression for this macroscopic pressure gradient is derived and the resulting force is incorporated into the expression for the solute velocity. The expression is used to calculate thermodiffusion coefficients for polystyrene in several organic solvents. When these values are compared to those measured in the laboratory, the consistency is better than that found in previous reports, which did not consider the macroscopic pressure gradient that arises in a closed thermodiffusion cell. The model also allows for the movement of solute in either direction, depending on the relative values of the solvent and solute Hamaker constants.

  19. Basic Characteristics of a Macroscopic Measure for Detecting Abnormal Changes in a Multiagent System

    PubMed Central

    Kinoshita, Tetsuo

    2015-01-01

    Multiagent application systems must deal with various changes in both the system and the system environment at runtime. Generally, such changes have undesirable negative effects on the system. To manage and control the system, it is important to observe and detect negative effects using an appropriate observation function of the system’s behavior. This paper focuses on the design of this function and proposes a new macroscopic measure with which to observe behavioral characteristics of a runtime multiagent system. The proposed measure is designed as the variance of fluctuation of a macroscopic activity factor of the whole system, based on theoretical analysis of the macroscopic behavioral model of a multiagent system. Experiments are conducted to investigate basic characteristics of the proposed measure, using a test bed system. The results of experiments show that the proposed measure reacts quickly and increases drastically in response to abnormal changes in the system. Hence, the proposed measure is considered a measure that can be used to detect undesirable changes in a multiagent system. PMID:25897499

  20. First-principles based calculation of the macroscopic α/β interface in titanium

    SciTech Connect

    Li, Dongdong; Zhu, Lvqi; Shao, Shouqi; Jiang, Yong

    2016-06-14

    The macroscopic α/β interface in titanium and titanium alloys consists of a ledge interface (112){sub β}/(01-10){sub α} and a side interface (11-1){sub β}/(2-1-10){sub α} in a zig-zag arrangement. Here, we report a first-principles study for predicting the atomic structure and the formation energy of the α/β-Ti interface. Both component interfaces were calculated using supercell models within a restrictive relaxation approach, with various staking sequences and high-symmetry parallel translations being considered. The ledge interface energy was predicted as 0.098 J/m{sup 2} and the side interface energy as 0.811 J/m{sup 2}. By projecting the zig-zag interface area onto the macroscopic broad face, the macroscopic α/β interface energy was estimated to be as low as ∼0.12 J/m{sup 2}, which, however, is almost double the ad hoc value used in previous phase-field simulations.

  1. The Szilard engine revisited: Entropy, macroscopic randomness, and symmetry breaking phase transitions

    NASA Astrophysics Data System (ADS)

    Parrondo, Juan M. R.

    2001-09-01

    The role of symmetry breaking phase transitions in the Szilard engine is analyzed. It is shown that symmetry breaking is the only necessary ingredient for the engine to work. To support this idea, we show that the Ising model behaves exactly as the Szilard engine. We design a purely macroscopic Maxwell demon from an Ising model, demonstrating that a demon can operate with information about the macrostate of the system. We finally discuss some aspects of the definition of entropy and how thermodynamics should be modified to account for the variations of entropy in second-order phase transitions.

  2. Investigating the mechanics of earthquakes using macroscopic seismic parameters

    NASA Astrophysics Data System (ADS)

    Venkataraman, Anupama

    2002-09-01

    To understand the physics of earthquake rupture mechanics, we have to relate seismologically observable parameters to the dynamics of faulting. One of the key seismological parameters that will help us achieve this objective is the energy radiated by seismic waves. In this work, we develop a new method of estimating radiated energy from regional data using an empirical Green's function method; we also modify existing methods of estimating radiated energy from teleseismic data by improving the corrections applied to the observed seismic data for attenuation and directivity effects. We compute teleseismic estimates of radiated energy for 23 large subduction zone earthquakes recorded between 1992 and 2001; most of these earthquakes have a magnitude Mw > 7.5, but we also include some smaller (Mw ˜ 6.7) well-studied subduction zone earthquakes and 6 crustal earthquakes. We compile the static stress drop estimates for these 29 earthquakes from published literature. We then determine radiation efficiency of these earthquakes using a stress relaxation model that relates measurable and macroscopic seismological parameters to the physical processes on the fault zone via fracture energy. We also determine the rupture velocity of these earthquakes from published literature. A comparison of radiation efficiencies and rupture velocities of these earthquakes with the expected theoretical values for different modes crack propagation validates the use of the stress relaxation model to understand earthquake rupture mechanics. From our calculations, we observe that most earthquakes have radiation efficiencies between 0.25 and 1 and are hence efficient in generating seismic waves, but tsunami earthquakes and two deep earthquakes, the 1994 deep earthquake that occurred in Bolivia and the 1999 Russia-China border earthquake, have very small radiation efficiencies (<0.25) and hence dissipate a large amount of energy on the fault plane. We suggest that the difference in the radiation

  3. Macroscopic control parameter for avalanche models for bursty transport

    SciTech Connect

    Chapman, S. C.; Rowlands, G.; Watkins, N. W.

    2009-01-15

    Similarity analysis is used to identify the control parameter R{sub A} for the subset of avalanching systems that can exhibit self-organized criticality (SOC). This parameter expresses the ratio of driving to dissipation. The transition to SOC, when the number of excited degrees of freedom is maximal, is found to occur when R{sub A}{yields}0. This is in the opposite sense to (Kolmogorov) turbulence, thus identifying a deep distinction between turbulence and SOC and suggesting an observable property that could distinguish them. A corollary of this similarity analysis is that SOC phenomenology, that is, power law scaling of avalanches, can persist for finite R{sub A} with the same R{sub A}{yields}0 exponent if the system supports a sufficiently large range of lengthscales, necessary for SOC to be a candidate for physical (R{sub A} finite) systems.

  4. New Micro- and Macroscopic Models of Contact and Friction

    DTIC Science & Technology

    1993-11-29

    Inelastic Deformation," J. Engineering Materials and Technology, Vol. 102, pp. 92-96, Jan . 1980. 56. Lindholm, U.S., Chan, K.S., Bodner, S.R., Weber...Geomate- rials, ed. by Z. Bazant , John Wiley and Sons, pp. 163-187, 1985. I * 177 I U 85. Sampson, J. B., Morgan, F., Reed, D. W., and Muskat, M

  5. New Micro- and Macroscopic Models of Contact and Friction

    DTIC Science & Technology

    1992-11-01

    of Inelastic Deformation," J. Engineering Materials and Technology, Vol. 102, pp. 92-96, Jan . 1980. * 94 I I 55. Lindholm, U.S., Chan, K.S., Bodner... Bazant , John Wiley and Sons, pp. 163-187, 1985. 96 U I 84. Sampson, J. B., Morgan, F., Reed, D. W., and Muskat, M., "Friction Behaviour During the Slip

  6. From 1D to 3D - macroscopic nanowire aerogel monoliths

    NASA Astrophysics Data System (ADS)

    Cheng, Wei; Rechberger, Felix; Niederberger, Markus

    2016-07-01

    Here we present a strategy to assemble one-dimensional nanostructures into a three-dimensional architecture with macroscopic size. With the assistance of centrifugation, we successfully gel ultrathin W18O49 nanowires with diameters of 1 to 2 nm and aspect ratios larger than 100 into 3D networks, which are transformed into monolithic aerogels by supercritical drying.Here we present a strategy to assemble one-dimensional nanostructures into a three-dimensional architecture with macroscopic size. With the assistance of centrifugation, we successfully gel ultrathin W18O49 nanowires with diameters of 1 to 2 nm and aspect ratios larger than 100 into 3D networks, which are transformed into monolithic aerogels by supercritical drying. Electronic supplementary information (ESI) available: Experimental details, SEM and TEM images, and digital photographs. See DOI: 10.1039/c6nr04429h

  7. On the transition from microscopic to macroscopic electrodynamics

    NASA Astrophysics Data System (ADS)

    de Lange, O. L.; Raab, R. E.; Welter, A.

    2012-01-01

    Implicit in the change from microscopic electrodynamics to a macroscopic, multipole theory is a set of molecule-fixed coordinate systems - and hence an arbitrary set of molecular origins {On} - relative to which the positions of molecular constituents are specified. We examine the extent to which this theory satisfies a Van Vleck-Buckingham-type translational invariance with respect to the choice of {On} in a linear, homogeneous, anisotropic medium. For contributions above electric dipole order, the theory is only partially invariant, and therefore incomplete: the corresponding macroscopic Maxwell equations yield unphysical results for certain phenomena. We propose a fully invariant formulation, based on the use of invariant molecular polarizability tensors in the quantum-mechanical expressions for expectation values of molecular multipole moments induced by harmonic, plane electromagnetic waves. We show that expressions for the invariant polarizabilities can be discerned from the partially invariant theory, and we discuss the uniqueness of our procedure.

  8. Macroscopic assessment of pulmonary emphysema by image analysis.

    PubMed Central

    Gevenois, P A; Zanen, J; de Maertelaer, V; De Vuyst, P; Dumortier, P; Yernault, J C

    1995-01-01

    AIMS--To propose a computerised image analysis based method for measuring, on paper mounted lung sections, the area macroscopically occupied by emphysema. METHODS--The study was based on the assessment of 69 lung sections prepared following a modified Gough-Wentworth technique. The results obtained from image analysis, point counting, and panel grading methods were compared, as was the repeatability of image analysis and panel grading. RESULTS--The results from image analysis and from point counting were not significantly different (p = 0.609) and significant quadratic regressions (r = 0.96, p < 0.001) were found between measurements from image analysis and from panel grading, the computerised technique being shown to be the most reproducible. CONCLUSIONS--Image analysis is a valuable and reproducible method to measure the area of lung macroscopically involved by emphysema. PMID:7615849

  9. Macroscopic Simulation of Deformation in Soft Microporous Composites.

    PubMed

    Evans, Jack D; Coudert, François-Xavier

    2017-03-23

    Soft microporous materials exhibit properties, such as gated adsorption and breathing, which are highly desirable for many applications. These properties are largely studied for single crystals; however, many potential applications expect to construct structured or composite systems, examples of which include monoliths and mixed-matrix membranes. Herein, we use finite element methods to predict the macroscopic mechanical response of composite microporous materials. This implementation connects the microscopic treatment of crystalline structures to the response of a macroscopic sample. Our simulations reveal the bulk modulus of an embedded adsorbent within a composite is affected by the thickness and properties of the encapsulating layer. Subsequently, we employ this methodology to examine mixed-matrix membranes and materials of negative linear compressibility. This application of finite element methods allows for unprecedented insight into the mechanical properties of real-world systems and supports the development of composites containing mechanically anomalous porous materials.

  10. Macroscopic ordering of helical pores for arraying guest molecules noncentrosymmetrically

    PubMed Central

    Li, Chunji; Cho, Joonil; Yamada, Kuniyo; Hashizume, Daisuke; Araoka, Fumito; Takezoe, Hideo; Aida, Takuzo; Ishida, Yasuhiro

    2015-01-01

    Helical nanostructures have attracted continuous attention, not only as media for chiral recognition and synthesis, but also as motifs for studying intriguing physical phenomena that never occur in centrosymmetric systems. To improve the quality of signals from these phenomena, which is a key issue for their further exploration, the most straightforward is the macroscopic orientation of helices. Here as a versatile scaffold to rationally construct this hardly accessible structure, we report a polymer framework with helical pores that unidirectionally orient over a large area (∼10 cm2). The framework, prepared by crosslinking a supramolecular liquid crystal preorganized in a magnetic field, is chemically robust, functionalized with carboxyl groups and capable of incorporating various basic or cationic guest molecules. When a nonlinear optical chromophore is incorporated in the framework, the resultant complex displays a markedly efficient nonlinear optical output, owing to the coherence of signals ensured by the macroscopically oriented helical structure. PMID:26416086

  11. Emergent thermodynamics in a system of macroscopic, chaotic surface waves

    NASA Astrophysics Data System (ADS)

    Welch, Kyle J.

    The properties of conventional materials are inextricably linked with their molecular composition; to make water flow like wine would require changing its molecular identity. To circumvent this restriction, I have constructed and characterized a two-dimensional metafluid, so-called because its constitutive dynamics are derived not from atoms and molecules but from macroscopic, chaotic surface waves excited on a vertically agitated fluid. Unlike in conventional fluids, the viscosity and temperature of this metafluid are independently tunable. Despite this unconventional property, our system is surprisingly consistent with equilibrium thermodynamics, despite being constructed from macroscopic, non-equilibrium elements. As a programmable material, our metafluid represents a new platform on which to study complex phenomena such as self-assembly and pattern formation. We demonstrate one such application in our study of short-chain polymer analogs embedded in our system.

  12. Macroscopic drift current in the inverse Faraday effect

    NASA Astrophysics Data System (ADS)

    Hertel, Riccardo; Fähnle, Manfred

    2015-01-01

    The inverse Faraday effect (IFE) describes the spontaneous magnetization of a conducting or dielectric medium due to irradiation with a circularly polarized electromagnetic wave. The effect has recently been discussed in the context of laser-induced magnetic switching of solids. We analyze analytically the electron dynamics induced by a circularly polarized laser beam within the framework of plasma theory. A macroscopic drift current is obtained, which circulates around the perimeter of the laser beam. The magnetic moment due to this macroscopic current has an opposite sign and half of the magnitude of the magnetic moment that is generated directly by the IFE. This constitutes an important contribution of angular momentum transferred from the wave to the medium and a classical mechanism for the light-induced generation of magnetic fields.

  13. Nonclassicality tests and entanglement witnesses for macroscopic mechanical superposition states

    NASA Astrophysics Data System (ADS)

    Gittsovich, Oleg; Moroder, Tobias; Asadian, Ali; Gühne, Otfried; Rabl, Peter

    2015-02-01

    We describe a set of measurement protocols for performing nonclassicality tests and the verification of entangled superposition states of macroscopic continuous variable systems, such as nanomechanical resonators. Following earlier works, we first consider a setup where a two-level system is used to indirectly probe the motion of the mechanical system via Ramsey measurements and discuss the application of this method for detecting nonclassical mechanical states. We then show that the generalization of this technique to multiple resonator modes allows the conditioned preparation and the detection of entangled mechanical superposition states. The proposed measurement protocols can be implemented in various qubit-resonator systems that are currently under experimental investigation and find applications in future tests of quantum mechanics at a macroscopic scale.

  14. Macroscopic Discontinuous Shear Thickening versus Local Shear Jamming in Cornstarch

    NASA Astrophysics Data System (ADS)

    Fall, A.; Bertrand, F.; Hautemayou, D.; Mezière, C.; Moucheront, P.; Lemaître, A.; Ovarlez, G.

    2015-03-01

    We study the emergence of discontinuous shear thickening (DST) in cornstarch by combining macroscopic rheometry with local magnetic resonance imaging measurements. We bring evidence that macroscopic DST is observed only when the flow separates into a low-density flowing and a high-density jammed region. In the shear-thickened steady state, the local rheology in the flowing region is not DST but, strikingly, is often shear thinning. Our data thus show that the stress jump measured during DST, in cornstarch, does not capture a secondary, high-viscosity branch of the local steady rheology but results from the existence of a shear jamming limit at volume fractions quite significantly below random close packing.

  15. Macroscopically Separated Gaps in Dimer Coverings of Aztec Rectangles

    NASA Astrophysics Data System (ADS)

    Ciucu, Mihai

    2016-05-01

    In this paper we determine the interaction of diagonal defect clusters in regions of an Aztec rectangle that scale to arbitrary points on its symmetry axis (in earlier work we treated the case when this point was the center of the scaled Aztec rectangle). We use the resulting formulas to determine the asymptotics of the correlation of defects that are macroscopically separated from one another and feel the influence of the boundary. In several of the treated situations this seems not to be accomplishable by previous methods. Our applications include the case of two long neutral strings, which turn out to interact by an analog of the Casimir force, two families of neutral doublets that turn out to interact completely independently of one another, a neutral doublet and a very long neutral string, a general collection of macroscopically separated monomer and separation defects, and the case of long strings consisting of consecutive monomers.

  16. Screen-imaging guidance using a modified portable video macroscope for middle cerebral artery occlusion.

    PubMed

    Zhu, Xingbao; Luo, Junli; Liu, Yun; Chen, Guolong; Liu, Song; Ruan, Qiangjin; Deng, Xunding; Wang, Dianchun; Fan, Quanshui; Pan, Xinghua

    2012-04-25

    The use of operating microscopes is limited by the focal length. Surgeons using these instruments cannot simultaneously view and access the surgical field and must choose one or the other. The longer focal length (more than 1 000 mm) of an operating telescope permits a position away from the operating field, above the surgeon and out of the field of view. This gives the telescope an advantage over an operating microscope. We developed a telescopic system using screen-imaging guidance and a modified portable video macroscope constructed from a Computar MLH-10 × macro lens, a DFK-21AU04 USB CCD Camera and a Dell laptop computer as monitor screen. This system was used to establish a middle cerebral artery occlusion model in rats. Results showed that magnification of the modified portable video macroscope was appropriate (5-20 ×) even though the Computar MLH-10 × macro lens was placed 800 mm away from the operating field rather than at the specified working distance of 152.4 mm with a zoom of 1-40 ×. The screen-imaging telescopic technique was clear, life-like, stereoscopic and matched the actual operation. Screen-imaging guidance led to an accurate, smooth, minimally invasive and comparatively easy surgical procedure. Success rate of the model establishment evaluated by neurological function using the modified neurological score system was 74.07%. There was no significant difference in model establishment time, sensorimotor deficit and infarct volume percentage. Our findings indicate that the telescopic lens is effective in the screen surgical operation mode referred to as "long distance observation and short distance operation" and that screen-imaging guidance using an modified portable video macroscope can be utilized for the establishment of a middle cerebral artery occlusion model and micro-neurosurgery.

  17. Polymorphic Phase Transitions: Macroscopic Theory and Molecular Simulation.

    PubMed

    Anwar, Jamshed; Zahn, Dirk

    2017-09-19

    Transformations in the solid state are of considerable interest, both for fundamental reasons and because they underpin important technological applications. The interest spans a wide spectrum of disciplines and application domains. For pharmaceuticals, a common issue is unexpected polymorphic transformation of the drug or excipient during processing or on storage, which can result in product failure. A more ambitious goal is that of exploiting the advantages of metastable polymorphs (e.g. higher solubility and dissolution rate) while ensuring their stability with respect to solid state transformation. To address these issues and to advance technology, there is an urgent need for significant insights that can only come from a detailed molecular level understanding of the involved processes. Whilst experimental approaches at best yield time- and space-averaged structural information, molecular simulation offers unprecedented, time-resolved molecular-level resolution of the processes taking place. This review aims to provide a comprehensive and critical account of state-of-the-art methods for modelling polymorph stability and transitions between solid phases. This is flanked by revisiting the associated macroscopic theoretical framework for phase transitions, including their classification, proposed molecular mechanisms, and kinetics. The simulation methods are presented in tutorial form, focusing on their application to phase transition phenomena. We describe molecular simulation studies for crystal structure prediction and polymorph screening, phase coexistence and phase diagrams, simulations of crystal-crystal transitions of various types (displacive/martensitic, reconstructive and diffusive), effects of defects, and phase stability and transitions at the nanoscale. Our selection of literature is intended to illustrate significant insights, concepts and understanding, as well as the current scope of using molecular simulations for understanding polymorphic

  18. Toward a superconducting quantum computer. Harnessing macroscopic quantum coherence.

    PubMed

    Tsai, Jaw-Shen

    2010-01-01

    Intensive research on the construction of superconducting quantum computers has produced numerous important achievements. The quantum bit (qubit), based on the Josephson junction, is at the heart of this research. This macroscopic system has the ability to control quantum coherence. This article reviews the current state of quantum computing as well as its history, and discusses its future. Although progress has been rapid, the field remains beset with unsolved issues, and there are still many new research opportunities open to physicists and engineers.

  19. Optical detection of the Casimir force between macroscopic objects.

    PubMed

    Petrov, Victor; Petrov, Mikhail; Bryksin, Valeriy; Petter, Juergen; Tschudi, Theo

    2006-11-01

    We report the optical detection of mechanical deformation of a macroscopic object induced by the Casimir force. An adaptive holographic interferometer based on a photorefractive BaTiO3:Co crystal was used to measure periodical nonlinear deformations of a thin pellicle caused by an oscillating Casimir force. A reasonable agreement between the experimental and calculated values of the first and second harmonics of the Casimir force oscillations has been obtained.

  20. Measurement-Induced Macroscopic Superposition States in Cavity Optomechanics

    NASA Astrophysics Data System (ADS)

    Hoff, Ulrich B.; Kollath-Bönig, Johann; Neergaard-Nielsen, Jonas S.; Andersen, Ulrik L.

    2016-09-01

    A novel protocol for generating quantum superpositions of macroscopically distinct states of a bulk mechanical oscillator is proposed, compatible with existing optomechanical devices operating in the bad-cavity limit. By combining a pulsed optomechanical quantum nondemolition (QND) interaction with nonclassical optical resources and measurement-induced feedback, the need for strong single-photon coupling is avoided. We outline a three-pulse sequence of QND interactions encompassing squeezing-enhanced cooling by measurement, state preparation, and tomography.

  1. 2016 Summer Series - Mark Kasevich: Quantum Mechanics at Macroscopic Scales

    NASA Image and Video Library

    2016-06-09

    The underpinning of the universe is quantum mechanics. It can be used to explain the observed particle and wave nature of atoms. Atom interferometry uses the wave characteristics of atoms to investigate fundamental physics and advance our understanding of the macroscopic world. NASA is working with Dr. Mark Kasevich to apply this technology to advance astrophysics and improve navigation. In his seminar, Kasevich will delve into the world of atom interferometry, gravitational waves and quantum sensors.

  2. Observation of macroscopic quantum tunneling through the Coulomb energy barrier

    NASA Astrophysics Data System (ADS)

    Geerligs, L. J.; Averin, D. V.; Mooij, J. E.

    1990-12-01

    The conductance of linear arrays of two and three normal-metal small tunnel junctions is studied for bias voltages V below the Coloumb-blockade threshold. At low temperature, we find evidence for macroscopic quantum tunneling of the electric charge (q-MQT) through the Coulomb energy barrier. For double junctions the tunneling rate scales as V3, and approximately as the product of the junction conductances, as predicted by the theory of inelastic q-MQT.

  3. Macroscopic superposition of ultracold atoms with orbital degrees of freedom

    SciTech Connect

    Garcia-March, M. A.; Carr, L. D.; Dounas-Frazer, D. R.

    2011-04-15

    We introduce higher dimensions into the problem of Bose-Einstein condensates in a double-well potential, taking into account orbital angular momentum. We completely characterize the eigenstates of this system, delineating new regimes via both analytical high-order perturbation theory and numerical exact diagonalization. Among these regimes are mixed Josephson- and Fock-like behavior, crossings in both excited and ground states, and shadows of macroscopic superposition states.

  4. Macroscopic phase separation in high-temperature superconductors

    PubMed Central

    Wen, Hai-Hu

    2000-01-01

    High-temperature superconductivity is recovered by introducing extra holes to the Cu-O planes, which initially are insulating with antiferromagnetism. In this paper I present data to show the macroscopic electronic phase separation that is caused by either mobile doping or electronic instability in the overdoped region. My results clearly demonstrate that the electronic inhomogeneity is probably a general feature of high-temperature superconductors. PMID:11027323

  5. Enhancement of macroscopic quantum tunneling by Landau-Zener transitions.

    PubMed

    Ankerhold, Joachim; Grabert, Hermann

    2003-07-04

    Motivated by recent realizations of qubits with a readout by macroscopic quantum tunneling in a Josephson junction, we study the problem of barrier penetration in the presence of coupling to a spin-1 / 2 system. It is shown that, when the diabatic potentials for fixed spin intersect in the barrier region, Landau-Zener transitions lead to an enhancement of the tunneling rate. The effect of these spin flips in imaginary time is in qualitative agreement with experimental observations.

  6. Macroscopic character of composite high-temperature superconducting wires

    NASA Astrophysics Data System (ADS)

    Kivelson, S. A.; Spivak, B.

    2015-11-01

    The "d -wave" symmetry of the superconducting order in the cuprate high temperature superconductors is a well established fact [J. Tsuei and J. R. Kirtley, Rev. Mod. Phys. 72, 969 (2000), 10.1103/RevModPhys.72.969 and D. J. Vanharlingen, Rev. Mod. Phys. 67, 515 (1995), 10.1103/RevModPhys.67.515], and one which identifies them as "unconventional." However, in macroscopic contexts—including many potential applications (i.e., superconducting "wires")—the material is a composite of randomly oriented superconducting grains in a metallic matrix, in which Josephson coupling between grains mediates the onset of long-range phase coherence. [See, e.g., D. C. Larbalestier et al., Nat. Mater. 13, 375 (2014), 10.1038/nmat3887, A. P. Malozemoff, MRS Bull. 36, 601 (2011), 10.1557/mrs.2011.160, and K. Heine et al., Appl. Phys. Lett. 55, 2441 (1989), 10.1063/1.102295] Here we analyze the physics at length scales that are large compared to the size of such grains, and in particular the macroscopic character of the long-range order that emerges. While X Y -superconducting glass order and macroscopic d -wave superconductivity may be possible, we show that under many circumstances—especially when the d -wave superconducting grains are embedded in a metallic matrix—the most likely order has global s -wave symmetry.

  7. Macroscopic inspection of ape feces: what's in a quantification method?

    PubMed

    Phillips, Caroline A; McGrew, William C

    2014-06-01

    Macroscopic inspection of feces has been used to investigate primate diet. The limitations of this method to identify food-items to species level have long been recognized, but ascertaining aspects of diet (e.g., folivory) are achievable by quantifying food-items in feces. Quantification methods applied include rating food-items using a scale of abundance, estimating their percentage volume, and weighing food-items. However, verification as to whether or not composition data differ, depending on which quantification method is used during macroscopic inspection, has not been done. We analyzed feces collected from ten adult chimpanzees (Pan troglodytes schweinfurthii) of the Kanyawara community in Kibale National Park, Uganda. We compare dietary composition totals obtained from using different quantification methods and ascertain if sieve mesh size influences totals calculated. Finally, this study validates findings from direct observation of feeding by the same individuals from whom the fecal samples had been collected. Contrasting diet composition totals obtained by using different quantification methods and sieve mesh sizes can influence folivory and frugivory estimates. However, our findings were based on the assumption that fibrous matter contained pith and leaf fragments only, which remains to be verified. We advocate macroscopic inspection of feces can be a valuable tool to provide a generalized overview of dietary composition for primate populations. As most populations remain unhabituated, scrutinizing and validating indirect measures are important if they are to be applied to further understand inter- and intra-species dietary variation.

  8. Macroscopic Quantum Phenomena from the Correlation, Coupling and Criticality Perspectives

    NASA Astrophysics Data System (ADS)

    Chou, C. H.; Hu, B. L.; Subaşi, Y.

    2011-12-01

    In this sequel paper we explore how macroscopic quantum phenomena can be measured or understood from the behavior of quantum correlations which exist in a quantum system of many particles or components and how the interaction strengths change with energy or scale, under ordinary situations and when the system is near its critical point. We use the nPI (master) effective action related to the Boltzmann-BBGKY / Schwinger-Dyson hierarchy of equations as a tool for systemizing the contributions of higher order correlation functions to the dynamics of lower order correlation functions. Together with the large N expansion discussed in our first paper [1] we explore 1) the conditions whereby an H-theorem is obtained, which can be viewed as a signifier of the emergence of macroscopic behavior in the system. We give two more examples from past work: 2) the nonequilibrium dynamics of N atoms in an optical lattice under the large Script N (field components), 2PI and second order perturbative expansions, illustrating how N and Script N enter in these three aspects of quantum correlations, coherence and coupling strength. 3) the behavior of an interacting quantum system near its critical point, the effects of quantum and thermal fluctuations and the conditions under which the system manifests infrared dimensional reduction. We also discuss how the effective field theory concept bears on macroscopic quantum phenomena: the running of the coupling parameters with energy or scale imparts a dynamical-dependent and an interaction-sensitive definition of 'macroscopia'.

  9. Macroscopic description of complex adaptive networks coevolving with dynamic node states

    NASA Astrophysics Data System (ADS)

    Wiedermann, Marc; Donges, Jonathan F.; Heitzig, Jobst; Lucht, Wolfgang; Kurths, Jürgen

    2015-05-01

    In many real-world complex systems, the time evolution of the network's structure and the dynamic state of its nodes are closely entangled. Here we study opinion formation and imitation on an adaptive complex network which is dependent on the individual dynamic state of each node and vice versa to model the coevolution of renewable resources with the dynamics of harvesting agents on a social network. The adaptive voter model is coupled to a set of identical logistic growth models and we mainly find that, in such systems, the rate of interactions between nodes as well as the adaptive rewiring probability are crucial parameters for controlling the sustainability of the system's equilibrium state. We derive a macroscopic description of the system in terms of ordinary differential equations which provides a general framework to model and quantify the influence of single node dynamics on the macroscopic state of the network. The thus obtained framework is applicable to many fields of study, such as epidemic spreading, opinion formation, or socioecological modeling.

  10. Macroscopic description of complex adaptive networks coevolving with dynamic node states.

    PubMed

    Wiedermann, Marc; Donges, Jonathan F; Heitzig, Jobst; Lucht, Wolfgang; Kurths, Jürgen

    2015-05-01

    In many real-world complex systems, the time evolution of the network's structure and the dynamic state of its nodes are closely entangled. Here we study opinion formation and imitation on an adaptive complex network which is dependent on the individual dynamic state of each node and vice versa to model the coevolution of renewable resources with the dynamics of harvesting agents on a social network. The adaptive voter model is coupled to a set of identical logistic growth models and we mainly find that, in such systems, the rate of interactions between nodes as well as the adaptive rewiring probability are crucial parameters for controlling the sustainability of the system's equilibrium state. We derive a macroscopic description of the system in terms of ordinary differential equations which provides a general framework to model and quantify the influence of single node dynamics on the macroscopic state of the network. The thus obtained framework is applicable to many fields of study, such as epidemic spreading, opinion formation, or socioecological modeling.

  11. Accelerating multi-scale sheet forming simulations by exploiting local macroscopic quasi-homogeneities

    NASA Astrophysics Data System (ADS)

    Gawad, J.; Khairullah, Md; Roose, D.; Van Bael, A.

    2016-08-01

    Multi-scale simulations are computationally expensive if a two-way coupling is employed. In the context of sheet metal forming simulations, a fine-scale representative volume element (RVE) crystal plasticity (CP) model would supply the Finite Element analysis with plastic properties, taking into account the evolution of crystallographic texture and other microstructural features. The main bottleneck is that the fine-scale model must be evaluated at virtually every integration point in the macroscopic FE mesh. We propose to address this issue by exploiting a verifiable assumption that fine-scale state variables of similar RVEs, as well as the derived properties, subjected to similar macroscopic boundary conditions evolve along nearly identical trajectories. Furthermore, the macroscopic field variables primarily responsible for the evolution of fine-scale state variables often feature local quasi-homogeneities. Adjacent integration points in the FE mesh can be then clustered together in the regions where the field responsible for the evolution shows low variance. This way the fine-scale evolution is tracked only at a limited number of material points and the derived plastic properties are propagated to the surrounding integration points subjected to similar deformation. Optimal configurations of the clusters vary in time as the local deformation conditions may change during the forming process, so the clusters must be periodically adapted. We consider two operations on the clusters of integration points: splitting (refinement) and merging (unrefinement). The concept is tested in the Hierarchical Multi-Scale (HMS) framework [1] that computes macroscopic deformations by means of the FEM, whereas the micro-structural evolution at the individual FE integration points is predicted by a CP model. The HMS locally and adaptively approximates homogenized stress responses of the CP model by means of analytical plastic potential or yield criterion function. Our earlier work

  12. Solvable Quantum Macroscopic Motions and Decoherence Mechanisms in Quantum Mechanics on Nonstandard Space

    NASA Technical Reports Server (NTRS)

    Kobayashi, Tsunehiro

    1996-01-01

    Quantum macroscopic motions are investigated in the scheme consisting of N-number of harmonic oscillators in terms of ultra-power representations of nonstandard analysis. Decoherence is derived from the large internal degrees of freedom of macroscopic matters.

  13. Ballistic and diffusive dynamics in a two-dimensional ideal gas of macroscopic chaotic Faraday waves.

    PubMed

    Welch, Kyle J; Hastings-Hauss, Isaac; Parthasarathy, Raghuveer; Corwin, Eric I

    2014-04-01

    We have constructed a macroscopic driven system of chaotic Faraday waves whose statistical mechanics, we find, are surprisingly simple, mimicking those of a thermal gas. We use real-time tracking of a single floating probe, energy equipartition, and the Stokes-Einstein relation to define and measure a pseudotemperature and diffusion constant and then self-consistently determine a coefficient of viscous friction for a test particle in this pseudothermal gas. Because of its simplicity, this system can serve as a model for direct experimental investigation of nonequilibrium statistical mechanics, much as the ideal gas epitomizes equilibrium statistical mechanics.

  14. Instability of cooperative adaptive cruise control traffic flow: A macroscopic approach

    NASA Astrophysics Data System (ADS)

    Ngoduy, D.

    2013-10-01

    This paper proposes a macroscopic model to describe the operations of cooperative adaptive cruise control (CACC) traffic flow, which is an extension of adaptive cruise control (ACC) traffic flow. In CACC traffic flow a vehicle can exchange information with many preceding vehicles through wireless communication. Due to such communication the CACC vehicle can follow its leader at a closer distance than the ACC vehicle. The stability diagrams are constructed from the developed model based on the linear and nonlinear stability method for a certain model parameter set. It is found analytically that CACC vehicles enhance the stabilization of traffic flow with respect to both small and large perturbations compared to ACC vehicles. Numerical simulation is carried out to support our analytical findings. Based on the nonlinear stability analysis, we will show analytically and numerically that the CACC system better improves the dynamic equilibrium capacity over the ACC system. We have argued that in parallel to microscopic models for CACC traffic flow, the newly developed macroscopic will provide a complete insight into the dynamics of intelligent traffic flow.

  15. Macroscopic supramolecular assembly of rigid building blocks through a flexible spacing coating.

    PubMed

    Cheng, Mengjiao; Shi, Feng; Li, Jianshu; Lin, Zaifu; Jiang, Chao; Xiao, Meng; Zhang, Liqun; Yang, Wantai; Nishi, Toshio

    2014-05-21

    Macroscopic supramolecular assembly is a promising method for manufacturing macroscopic, ordered structures for tissue-engineering scaffolds. A flexible spacing coating is shown to overcome undesired surface and size effects and to enable assembly of macroscopic cubes with host/guest groups. The assembled pairs disassembled upon introduction of competitive guest molecules, thereby demonstrating a multivalent assembly mechanism.

  16. Development of wire drawing textures in Cu Fe: the influence of macroscopic and microscopic heterogeneities

    NASA Astrophysics Data System (ADS)

    Bolmaro, R. E.; Fourty, A.; Signorelli, J. W.; Brokmeier, H.-G.

    2006-01-01

    The current paper presents a comparison of the influence over texture development of different heterogeneity levels of deformation. A viscoplastic self-consistent (VPSC) micromechanical model is coupled with a finite element method (FEM) to simulate wire drawing texture development in a two-phase Cu-Fe material. VPSC models are capable of simulating grain-to-grain heterogeneity, and FEM models can accomplish the task of simulating the macroscopic variation of velocity gradient due to geometrical constraints during wire drawing. Intra-grain heterogeneities are empirically built in the VPSC model by enforcing a common spin between closest neighbour grains. The results are contrasted and validated by neutron diffraction experimental textures. Different levels of heterogeneity are simulated, and the results are assessed and compared against Taylor based simulations. The 'curling' problem is also addressed by allowing the grains to interact through the co-spin model and the ellipsoid axes orientations to evolve independently.

  17. Monte Carlo simulation of superdiffusion and subdiffusion in macroscopically heterogeneous media

    NASA Astrophysics Data System (ADS)

    Zhang, Yong; Labolle, Eric M.; Pohlmann, Karl

    2009-10-01

    Monte Carlo simulations are developed to approximate one-dimensional superdiffusion and subdiffusion in macroscopically heterogeneous media with discontinuous or continuous transport parameters. For superdiffusion characterized by a space fractional (α-order) derivative model, one empirical reflection scheme is built to track particle trajectory across an interface with discontinuous dispersion coefficient D, where the reflection probability depends on both α and the ratio of D. Different from the superdiffusive case, anomalous diffusion described by a time fractional derivative model can be decomposed into a motion component and a hitting time process, where the discontinuity affects only the motion process, implying an efficient Monte Carlo simulation of decoupled continuous time random walks. The discontinuity of effective porosity n is also discussed, and results show the influence of the ratio of n on solute particle dynamics. In addition, for anomalous superdiffusion and subdiffusion in heterogeneous media with spatially continuous D and n, Langevin analysis reveals that the corresponding particle dynamics contain three independent stable Lévy noises scaled by D, the gradient of D, and the gradient of ln(n). A new implicit Eulerian finite difference method is also developed to solve the spatiotemporal fractional derivative models and then extensively cross verify the Lagrangian solutions. Further testing against one field example of mixed superdiffusion and subdiffusion reveals the applicability and flexibility of the novel Monte Carlo approach in simulating realistic plumes in macroscopically heterogeneous media with locally variable transport parameters.

  18. Weak Higher-order Interactions in Macroscopic Functional Networks of the Resting Brain.

    PubMed

    Huang, Xuhui; Xu, Kaibin; Chu, Congying; Jiang, Tianzi; Yu, Shan

    2017-09-26

    Interactions among different brain regions are usually examined through functional connectivity (FC) analysis, which is exclusively based on measuring pairwise correlations in activities. However, interactions beyond the pairwise level, i.e., higher-order interactions (HOIs), are vital in understanding the behavior of many complex systems. So far whether HOIs exist among brain regions and how they can affect brain's activities remain largely elusive. To address these issues, here we analyzed blood oxygenation level-dependent (BOLD) signals recorded from six typical macroscopic functional networks of the brain in 100 human subjects (46 males and 54 females) during the resting state. Through examining the binarized BOLD signals, we found that HOIs within and across individual networks were both very weak, regardless of the network size, topology, degree of spatial proximity, spatial scales and whether the global signal was regressed or not. To investigate the potential mechanisms underlying the weak HOIs, we analyzed the dynamics of a network model, and also found that HOIs were generally weak within a wide range of key parameters, provided that the overall dynamic feature of the model was similar to the empirical data and it was operating close to a linear fluctuation regime. Taken together, our results suggest that weak HOI may be a general property of brain's macroscopic functional networks, which implies the dominance of pairwise interactions in shaping brain activities at such a scale and warrants the validity of widely used pairwise-based FC approaches.SIGNIFICANCE STATEMENTTo explain how activities of different brain areas are coordinated through interactions is essential to reveal the mechanisms underlying various brain functions. Traditionally, such an interaction structure is commonly studied by using pairwise-based functional network analyses. It is unclear whether the interactions beyond the pairwise level (higher-order interactions or HOIs) play any role

  19. Macroscopic random Paschen-Back effect in ultracold atomic gases

    NASA Astrophysics Data System (ADS)

    Modugno, M.; Sherman, E. Ya.; Konotop, V. V.

    2017-06-01

    We consider spin- and density-related properties of single-particle states in a one-dimensional system with random spin-orbit coupling. We show that the presence of an additional Zeeman field Δ induces both nonlinear spin polarization and delocalization of states localized at Δ =0 , corresponding to a random macroscopic analog of the Paschen-Back effect. While the conventional Paschen-Back effect corresponds to a saturated Δ dependence of the spin polarization, here the gradual suppression of the spin-orbit coupling effects by the Zeeman field is responsible both for the spin saturation and delocalization of the particles.

  20. Violation of smooth observable macroscopic realism in a harmonic oscillator.

    PubMed

    Leshem, Amir; Gat, Omri

    2009-08-14

    We study the emergence of macrorealism in a harmonic oscillator subject to consecutive measurements of a squeezed action. We demonstrate a breakdown of dynamical realism in a wide parameter range that is maximized in a scaling limit of extreme squeezing, where it is based on measurements of smooth observables, implying that macroscopic realism is not valid in the harmonic oscillator. We propose an indirect experimental test of these predictions with entangled photons by demonstrating that local realism in a composite system implies dynamical realism in a subsystem.

  1. Macroscopic test of the Aharonov-Bohm effect.

    PubMed

    Caprez, Adam; Barwick, Brett; Batelaan, Herman

    2007-11-23

    The Aharonov-Bohm (AB) effect is a purely quantum mechanical effect. The original (classified as type-I) AB-phase shift exists in experimental conditions where the electromagnetic fields and forces are zero. It is the absence of forces that makes the AB effect entirely quantum mechanical. Although the AB-phase shift has been demonstrated unambiguously, the absence of forces in type-I AB effects has never been shown. Here, we report the observation of the absence of time delays associated with forces of the magnitude needed to explain the AB-phase shift for a macroscopic system.

  2. Macroscopic Test of the Aharonov-Bohm Effect

    SciTech Connect

    Caprez, Adam; Barwick, Brett; Batelaan, Herman

    2007-11-23

    The Aharonov-Bohm (AB) effect is a purely quantum mechanical effect. The original (classified as type-I) AB-phase shift exists in experimental conditions where the electromagnetic fields and forces are zero. It is the absence of forces that makes the AB effect entirely quantum mechanical. Although the AB-phase shift has been demonstrated unambiguously, the absence of forces in type-I AB effects has never been shown. Here, we report the observation of the absence of time delays associated with forces of the magnitude needed to explain the AB-phase shift for a macroscopic system.

  3. Classical hallmarks of macroscopic quantum wave function propagation

    NASA Astrophysics Data System (ADS)

    Feagin, James M.; Briggs, John S.

    2017-08-01

    The precise connection between quantum wave functions and the underlying classical trajectories often is presented rather vaguely by practitioners of quantum mechanics. Here we demonstrate, with simple examples, that the imaging theorem (IT) based on the semiclassical propagator provides a precise connection. Wave functions are preserved out to macroscopic distances but the variables, position and momentum of these functions describe classical trajectories. We show that the IT, based on an overtly time-dependent picture, provides a strategy alternative to standard scattering theory with which to compare experimental results to theory.

  4. On the motion of macroscopic bodies in quantum theory

    NASA Astrophysics Data System (ADS)

    Kryukov, A.

    2017-08-01

    Quantum observables can be identified with vector fields on the sphere of normalized states. The resulting vector representation is used in this paper to undertake a simultaneous treatment of macroscopic and microscopic bodies in quantum mechanics. Components of the velocity and acceleration of state under Schrödinger evolution are given for a clear physical interpretation. Solutions to Schrödinger and Newton equations are shown to be related beyond the Ehrenfest results on the motion of averages. A formula relating the normal probability distribution and the Born rule is found.

  5. Dimensional Crossover in Quantum Networks: From Macroscopic to Mesoscopic Physics

    NASA Astrophysics Data System (ADS)

    Schopfer, Félicien; Mallet, François; Mailly, Dominique; Texier, Christophe; Montambaux, Gilles; Bäuerle, Christopher; Saminadayar, Laurent

    2007-01-01

    We report on magnetoconductance measurements of metallic networks of various sizes ranging from 10 to 106 plaquettes, with an anisotropic aspect ratio. Both Altshuler-Aronov-Spivak h/2e periodic oscillations and Aharonov-Bohm h/e periodic oscillations are observed for all networks. For large samples, the amplitude of both oscillations results from the incoherent superposition of contributions of phase coherent regions. When the transverse size becomes smaller than the phase coherent length Lϕ, one enters a new regime which is phase coherent (mesoscopic) along one direction and macroscopic along the other, leading to a new size dependence of the quantum oscillations.

  6. Characterization of macroscopic tensile strength of polycrystalline metals with two-scale finite element analysis

    NASA Astrophysics Data System (ADS)

    Watanabe, Ikumu; Terada, Kenjiro; Neto, Eduardo Alberto de Souza; Perić, Djordje

    The objective of this contribution is to develop an elastic-plastic-damage constitutive model for crystal grain and to incorporate it with two-scale finite element analyses based on mathematical homogenization method, in order to characterize the macroscopic tensile strength of polycrystalline metals. More specifically, the constitutive model for single crystal is obtained by combining hyperelasticity, a rate-independent single crystal plasticity and a continuum damage model. The evolution equations, stress update algorithm and consistent tangent are derived within the framework of standard elastoplasticity at finite strain. By employing two-scale finite element analysis, the ductile behaviour of polycrystalline metals and corresponding tensile strength are evaluated. The importance of finite element formulation is examined by comparing performance of several finite elements and their convergence behaviour is assessed with mesh refinement. Finally, the grain size effect on yield and tensile strength is analysed in order to illustrate the versatility of the proposed two-scale model.

  7. A macroscopic non-destructive testing system based on the cantilever-sample contact resonance

    NASA Astrophysics Data System (ADS)

    Fu, Ji; Lin, Lizhi; Zhou, Xilong; Li, Yingwei; Li, Faxin

    2012-12-01

    Detecting the inside or buried defects in materials and structures is always a challenge in the field of nondestructive testing (NDT). In this paper, enlightened by the operation principle of the contact resonance force microscopy or atomic force acoustic microscopy (AFAM), we proposed a macroscopic NDT system based on contact resonance of the cantilever-sample surface to detect the local stiffness variations in materials or structures. We fabricated a piezoelectric unimorph with the dimension typically of 150 mm × 8 mm × 2 mm to act as a macroscopic cantilever, whose flexural mode vibration was driven by a wideband power amplifier together with a signal generator. The vibration signal of the macroscopic cantilever is detected by a high sensitive strain gauge bonded on the cantilever surface which is much more stable than the laser diode sensor in AFAM, thus making it very suitable for outdoor operations. Scanning is realized by a three-dimensional motorized stage with the Z axis for pressing force setting. The whole system is controlled by a LabVIEW-based homemade software. Like the AFAM, this NDT system can also work in two modes, i.e., the single-frequency mode and the resonance-tracking mode. In the latter mode, the contact stiffness at each pixel of the sample can be obtained by using the measured contact resonance frequency and a beam dynamics model. Testing results of this NDT system on a grid structure with an opaque panel show that in both modes the prefabricated defect beneath the panel can be detected and the grid structures can be clearly "seen," which indicates the validity of this NDT system. The sensitivity of this NDT system was also examined.

  8. Macroscopic descriptions of rarefied gases from the elimination of fast variables

    NASA Astrophysics Data System (ADS)

    Dellar, Paul J.

    2007-10-01

    The Boltzmann equation describing a dilute monatomic gas is equivalent to an infinite hierarchy of evolution equations for successive moments of the distribution function. The five moments giving the macroscopic mass, momentum, and energy densities are unaffected by collisions between atoms, while all other moments naturally evolve on a fast collisional time scale. We show that the macroscopic equations of Chen, Rao, and Spiegel [Phys. Lett. A 271, 87 (2000)], like the familiar Navier-Stokes-Fourier equations, emerge from using a systematic procedure to eliminate the higher moments, leaving closed evolution equations for the five moments unaffected by collisions. The two equation sets differ through their treatment of contributions from the temperature to the momentum and energy fluxes. Using moment equations offers a definitive treatment of the Prandtl number problem using model collision operators, greatly reduces the labor of deriving equations for different collision operators, and clarifies the role of solvability conditions applied to the distribution function. The original Chen-Rao-Spiegel approach offers greatly improved agreement with experiments for the phase speed of ultrasound, but when corrected to match the Navier-Stokes-Fourier equations at low frequencies, it then underestimates the phase speed at high frequencies. Our introduction of a translational temperature, as in the kinetic theory of polyatomic gases, motivates a distinction in the energy flux between advection of internal energy and the work done by the pressure. Exploiting this distinction yields macroscopic equations that offer further improvement in agreement with experimental data, and arise more naturally as an approximation to the infinite hierarchy of evolution equations for moments.

  9. A macroscopic non-destructive testing system based on the cantilever-sample contact resonance.

    PubMed

    Fu, Ji; Lin, Lizhi; Zhou, Xilong; Li, Yingwei; Li, Faxin

    2012-12-01

    Detecting the inside or buried defects in materials and structures is always a challenge in the field of nondestructive testing (NDT). In this paper, enlightened by the operation principle of the contact resonance force microscopy or atomic force acoustic microscopy (AFAM), we proposed a macroscopic NDT system based on contact resonance of the cantilever-sample surface to detect the local stiffness variations in materials or structures. We fabricated a piezoelectric unimorph with the dimension typically of 150 mm × 8 mm × 2 mm to act as a macroscopic cantilever, whose flexural mode vibration was driven by a wideband power amplifier together with a signal generator. The vibration signal of the macroscopic cantilever is detected by a high sensitive strain gauge bonded on the cantilever surface which is much more stable than the laser diode sensor in AFAM, thus making it very suitable for outdoor operations. Scanning is realized by a three-dimensional motorized stage with the Z axis for pressing force setting. The whole system is controlled by a LabVIEW-based homemade software. Like the AFAM, this NDT system can also work in two modes, i.e., the single-frequency mode and the resonance-tracking mode. In the latter mode, the contact stiffness at each pixel of the sample can be obtained by using the measured contact resonance frequency and a beam dynamics model. Testing results of this NDT system on a grid structure with an opaque panel show that in both modes the prefabricated defect beneath the panel can be detected and the grid structures can be clearly "seen," which indicates the validity of this NDT system. The sensitivity of this NDT system was also examined.

  10. Micro/macroscopic fluid flow in open cell fibrous structures and porous media

    NASA Astrophysics Data System (ADS)

    Tamayol, Ali

    Fibrous porous materials are involved in a wide range of applications including composite fabrication, filtration, compact heat exchangers, fuel cell technology, and tissue engineering to name a few. Fibrous structures, such as metalfoams, have unique characteristics such as low weight, high porosity, high mechanical strength, and high surface to volume ratio. More importantly, in many applications the fibrous microstructures can be tailored to meet a range of requirements. Therefore, fibrous materials have the potential to be used in emerging sustainable energy conversion applications. The first step for analyzing transport phenomena in porous materials is to determine the micro/macroscopic flow-field inside the medium. In applications where the porous media is confined in a channel, the system performance is tightly related to the flow properties of the porous medium and its interaction with the channel walls, i.e., macroscopic velocity distribution. Therefore, the focus of the study has been on: developing new mechanistic model(s) for determining permeability and inertial coefficient of fibrous porous materials; investigating the effects of microstructural and mechanical parameters such as porosity, fiber orientation, mechanical compression, and fiber distribution on the flow properties and pressure drop of fibrous structures; determining the macroscopic flow-field in confined porous media where the porous structure fills the channel cross-section totally or partially. A systematic approach has been followed to study different aspects of the flow through fibrous materials. The complex microstructure of real materials has been modelled using unit cells that have been assumed to be repeated throughout the media. Implementing various exact and approximate analytical techniques such as integral technique, point matching, blending rules, and scale analysis the flow properties of such media have been modelled; the targeted properties include permeability and inertial

  11. A Virtual Soil System to Study Macroscopic Manifestation of Pore-Scale Biogeochemical Processes

    NASA Astrophysics Data System (ADS)

    Liu, C.; Fang, Y.; Shang, J.; Bailey, V. L.

    2012-12-01

    Mechanistic soil biogeochemical processes occur at the pore-scale that fundamentally control the moisture and CO2 fluxes at the soil and atmosphere interface. This presentation will present an on-going research to investigate pore-scale moisture migration and biogeochemical processes of organic carbon degradation, and their macroscopic manifestation in soils. Soil cores collected from Rattlesnake Mountain in southeastern Washington, USA, where a field experiment was conducted to investigate dynamic response of soil biogeochemistry to changing climate conditions, were used as an example for this study. The cores were examined using computerized x-ray tomography (XCT) to determine soil pore structures. The XCT imaging, together with various measurements of soil properties such as porosity, moisture content, organic carbon, biochemistry, etc are used to establish a virtual soil core with a high spatial resolution (~20um). The virtual soil system is then used to simulate soil moisture migration and organic carbon degradation, to identify important physical and biogeochemical factors controlling macroscopic moisture and CO2 fluxes in response to changing climate conditions, and to develop and evaluate pragmatic biogeochemical process models for larger scale applications. Core-scale measurements of CO2 flux and moisture change are used for development and validation of the process models.

  12. Nonlinear photomechanics of nematic networks: upscaling microscopic behaviour to macroscopic deformation

    NASA Astrophysics Data System (ADS)

    Chung, Hayoung; Choi, Joonmyung; Yun, Jung-Hoon; Cho, Maenghyo

    2016-02-01

    A liquid crystal network whose chromophores are functionalized by photochromic dye exhibits light-induced mechanical behaviour. As a result, the micro-scaled thermotropic traits of the network and the macroscopic phase behaviour are both influenced as light alternates the shape of the dyes. In this paper, we present an analysis of this photomechanical behaviour based on the proposed multiscale framework, which incorporates the molecular details of microstate evolution into a continuum-based understanding. The effects of trans-to-cis photoisomerization driven by actinic light irradiation are first examined using molecular dynamics simulations, and are compared against the predictions of the classical dilution model; this reveals certain characteristics of mesogenic interaction upon isomerization, followed by changes in the polymeric structure. We then upscale the thermotropic phase-related information with the aid of a nonlinear finite element analysis; macroscopic deflection with respect to the wide ranges of temperature and actinic light intensity are thereby examined, which reveals that the classical model underestimates the true deformation. This work therefore provides measures for analysing photomechanics in general by bridging the gap between the micro- and macro-scales.

  13. Nonlinear photomechanics of nematic networks: upscaling microscopic behaviour to macroscopic deformation

    PubMed Central

    Chung, Hayoung; Choi, Joonmyung; Yun, Jung-Hoon; Cho, Maenghyo

    2016-01-01

    A liquid crystal network whose chromophores are functionalized by photochromic dye exhibits light-induced mechanical behaviour. As a result, the micro-scaled thermotropic traits of the network and the macroscopic phase behaviour are both influenced as light alternates the shape of the dyes. In this paper, we present an analysis of this photomechanical behaviour based on the proposed multiscale framework, which incorporates the molecular details of microstate evolution into a continuum-based understanding. The effects of trans-to-cis photoisomerization driven by actinic light irradiation are first examined using molecular dynamics simulations, and are compared against the predictions of the classical dilution model; this reveals certain characteristics of mesogenic interaction upon isomerization, followed by changes in the polymeric structure. We then upscale the thermotropic phase-related information with the aid of a nonlinear finite element analysis; macroscopic deflection with respect to the wide ranges of temperature and actinic light intensity are thereby examined, which reveals that the classical model underestimates the true deformation. This work therefore provides measures for analysing photomechanics in general by bridging the gap between the micro- and macro-scales. PMID:26828417

  14. Macroscopic nanoporous graphene membranes for molecular-sieving-based gas separation

    NASA Astrophysics Data System (ADS)

    Boutilier, Michael; Karnik, Rohit; Hadjiconstantinou, Nicolas

    2016-11-01

    Nanoporous graphene membranes have the potential to exceed permeance and selectivity limits of existing gas separation membranes. This is made possible by the atomic thickness of the material, which can support sub-nanometer pores that enable molecular sieving while presenting low resistance to permeate flow. The feasibility of gas separation by graphene nanopores has been demonstrated experimentally on micron-scale areas of graphene. However, scaling up to macroscopic membrane areas presents significant challenges, including graphene imperfections and control of the selective nanopore size distribution across large areas. Towards this goal, gas permeance experiments are conducted on single and few layer graphene membranes to understand leakage pathways and a model is developed to predict conditions under which molecular sieving can occur in macroscopic membranes. Approaches to seal or mitigate the effects of micron and nanometer scale defects in graphene are investigated and methods of creating a high density of selectively permeable nanopores are explored. Experimental results demonstrating separation ratios exceeding the Knudsen effusion limit, indicating molecular sieving in agreement with the model predictions, are presented and discussed.

  15. Duality in entanglement of macroscopic states of light

    NASA Astrophysics Data System (ADS)

    Lee, Su-Yong; Lee, Chang-Woo; Kurzyński, Paweł; Kaszlikowski, Dagomir; Kim, Jaewan

    2016-08-01

    We investigate duality in entanglement of a bipartite multiphoton system generated from a coherent state of light. The system can exhibit polarization entanglement if the two parts are distinguished by their parity, or parity entanglement if the parts are distinguished by polarization. It was shown in Phys. Rev. Lett. 110, 140404 (2013), 10.1103/PhysRevLett.110.140404 that this phenomenon can be exploited as a method to test indistinguishability of two particles and it was conjectured that one can also test indistinguishability of macroscopic systems. We propose a setup to test this conjecture. Contrary to the previous studies using two-particle interference effect as in the Hong-Ou- Mandel setup, our setup neither assumes that the tested state is composed of single particles nor requires that the total number of particles be fixed. Consequently, the notion of entanglement duality is shown to be compatible with a broader class of physical systems. Moreover, by observing duality in entanglement in the above system one can confirm that macroscopic systems exhibit quantum behavior. As a practical side, entanglement duality is a useful concept that enables adaptive conversion of entanglement of one degree of freedom (DOF) to that of another DOF according to varying quantum protocols.

  16. Macroscopic, freestanding, and tubular graphene architectures fabricated via thermal annealing.

    PubMed

    Nguyen, Duc Dung; Suzuki, Seiya; Kato, Shuji; To, Bao Dong; Hsu, Chia Chen; Murata, Hidekazu; Rokuta, Eiji; Tai, Nyan-Hwa; Yoshimura, Masamichi

    2015-03-24

    Manipulation of individual graphene sheets/films into specific architectures at macroscopic scales is crucially important for practical uses of graphene. We present herein a versatile and robust method based on annealing of solid carbon precursors on nickel templates and thermo-assisted removal of poly(methyl methacrylate) under low vacuum of ∼0.6 Pa for fabrication of macroscopic, freestanding, and tubular graphene (TG) architectures. Specifically, the TG architectures can be obtained as individual and woven tubes with a diameter of ∼50 μm, a wall thickness in the range of 2.1-2.9 nm, a density of ∼1.53 mg·cm(-3), a thermal stability up to 600 °C in air, an electrical conductivity of ∼1.48 × 10(6) S·m(-1), and field emission current densities on the order of 10(4) A·cm(-2) at low applied electrical fields of 0.6-0.7 V·μm(-1). These properties show great promise for applications in flexible and lightweight electronics, electron guns, or X-ray tube sources.

  17. Macroscopic Biological Characteristics of Individualized Therapy in Chinese Mongolian Osteopathy

    NASA Astrophysics Data System (ADS)

    Namula, Zhao; Mei, Wang; Li, Xue-en

    Objective: Chinese Mongolian osteopathy has been passed down from ancient times and includes unique practices and favorable efficacy. In this study, we investigate the macroscopic biological characteristics of individualized Chinese Mongolian osteopathy, in order to provide new principle and methods for the treatment of bone fracture. Method: With a view to provide a vital link between nature and humans, the four stages of Chinese Mongolian osteopathy focus on the unity of the mind and body, the limbs and body organs, the body and its functions, and humans and nature. Results: We discuss the merits of individualized osteopathy in terms of the underlying concepts, and evaluate the approaches and principles of traditional medicine, as well as biomechanics. Conclusions: Individualized Mongolian osteopathy targets macroscopic biological components including dynamic reduction, natural fixation, and functional healing. Chinese Mongolian osteopathy is a natural, ecological and non-invasive osteopathy that values the link between nature and humans, including the unity of mind and body. The biological components not only serve as a foundation for Chinese Mongolian osteopathy but are also important for the future development of modern osteopathy, focusing on individualization, actualization and integration.

  18. Macroscopic Behavior of Nematics with D2d Symmetry

    NASA Astrophysics Data System (ADS)

    Pleiner, Harald; Brand, Helmut R.

    2010-03-01

    We discuss the symmetry properties and the macroscopic behavior of a nematic liquid crystal phase with D2d symmetry. Such a phase is a prime candidate for nematic phases made from banana-shaped molecules where the usual quadrupolar order coexists with octupolar (tetrahedratic) order. The resulting nematic phase is non-polar. While this phase could resemble the classic D∞h nematic in the polarizing microscope, it has many static as well as reversible and irreversible properties unknown to non-polar nematics without octupolar order. In particular, there is a linear gradient term in the free energy that selects parity leading to ambidextrously helical ground states when the molecules are achiral. In addition, there are static and irreversible coupling terms of a type only met otherwise in macroscopically chiral liquid crystals, e.g. the ambidextrous analogues of Lehmann-type effects known from cholesteric liquid crystals. Finally, we discuss certain nonlinear aspects of the dynamics related to the non-commutativity of three-dimensional finite rotations as well as other structural nonlinear hydrodynamic effects.

  19. How does Planck’s constant influence the macroscopic world?

    NASA Astrophysics Data System (ADS)

    Yang, Pao-Keng

    2016-09-01

    In physics, Planck’s constant is a fundamental physical constant accounting for the energy-quantization phenomenon in the microscopic world. The value of Planck’s constant also determines in which length scale the quantum phenomenon will become conspicuous. Some students think that if Planck’s constant were to have a larger value than it has now, the quantum effect would only become observable in a world with a larger size, whereas the macroscopic world might remain almost unchanged. After reasoning from some basic physical principles and theories, we found that doubling Planck’s constant might result in a radical change on the geometric sizes and apparent colors of macroscopic objects, the solar spectrum and luminosity, the climate and gravity on Earth, as well as energy conversion between light and materials such as the efficiency of solar cells and light-emitting diodes. From the discussions in this paper, students can appreciate how Planck’s constant affects various aspects of the world in which we are living now.

  20. Confocal scanning beam laser microscope/macroscope: applications in fluorescence

    NASA Astrophysics Data System (ADS)

    Dixon, Arthur E.; Damaskinos, Savvas; Ribes, Alfonso

    1996-03-01

    A new confocal scanning beam laser microscope/macroscope is described that combines the rapid scan of a scanning beam laser microscope with the large specimen capability of a scanning stage microscope. This instrument combines an infinity-corrected confocal scanning laser microscope with a scanning laser macroscope that uses a telecentric f*(Theta) laser scan lens to produce a confocal imaging system with a resolution of 0.25 microns at a field of view of 25 microns and 5 microns at a field of view of 75,000 microns. The frame rate is 5 seconds per frame for a 512 by 512 pixel image, and 25 seconds for a 2048 by 2048 pixel image. Applications in fluorescence are discussed that focus on two important advantages of the instrument over a confocal scanning laser microscope: an extremely wide range of magnification, and the ability to image very large specimens. Examples are presented of fluorescence and reflected-light images of high quality printing, fluorescence images of latent fingerprints, packaging foam, and confocal autofluorescence images of a cricket.

  1. Catalytic Growth of Macroscopic Carbon Nanofibers Bodies with Activated Carbon

    SciTech Connect

    Abdullah, N.; Muhammad, I. S.; Hamid, S. B. Abd.; Rinaldi, A.; Su, D. S.; Schlogl, R.

    2009-06-01

    Carbon-carbon composite of activated carbon and carbon nanofibers have been synthesized by growing Carbon nanofiber (CNF) on Palm shell-based Activated carbon (AC) with Ni catalyst. The composites are in an agglomerated shape due to the entanglement of the defective CNF between the AC particles forming a macroscopic body. The macroscopic size will allow the composite to be used as a stabile catalyst support and liquid adsorbent. The preparation of CNT/AC nanocarbon was initiated by pre-treating the activated carbon with nitric acid, followed by impregnation of 1 wt% loading of nickel (II) nitrate solutions in acetone. The catalyst precursor was calcined and reduced at 300 deg. C for an hour in each step. The catalytic growth of nanocarbon in C{sub 2}H{sub 4}/H{sub 2} was carried out at temperature of 550 deg. C for 2 hrs with different rotating angle in the fluidization system. SEM and N{sub 2} isotherms show the level of agglomeration which is a function of growth density and fluidization of the system. The effect of fluidization by rotating the reactor during growth with different speed give a significant impact on the agglomeration of the final CNF/AC composite and thus the amount of CNFs produced. The macrostructure body produced in this work of CNF/AC composite will have advantages in the adsorbent and catalyst support application, due to the mechanical and chemical properties of the material.

  2. Tribological behaviour of graphite powders at nano- and macroscopic scales

    NASA Astrophysics Data System (ADS)

    Schmitt, M.; Bistac, S.; Jradi, K.

    2007-04-01

    With its high resistance, good hardness and electrical conductibility in the basal plans, graphite is used for many years in various tribological fields such as seals, bearings or electrical motor brushes, and also for applications needing excellent lubrication and wearreducing properties. But thanks to its low density, graphite is at the moment destined for technologies which need a reducing of the weight combined with an enhancement of the efficiency, as it is the case in aeronautical industry. In this contexte, the friction and wear of natural (named graphite A) and synthetic (called graphites B and C) powders were evaluated, first at the macroscopic scale when sliding against steel counterfaces, under various applied normal loads. Scanning Electron Microscopy and AFM in tapping mode were used to observe the morphological modifications of the graphites. It is noticed that an enlargement of the applied normal load leads to an increase of the friction coefficient for graphites A and C; but for the graphite B, it seems that a ''limit'' load can induce a complete change of the tribological behaviour. At the same time, the nano-friction properties of these powders were evaluated by AFM measurements in contact mode, at different contact loads. As it was the case at the macroscopic scale, an increase of the nano-contact load induces higher friction coefficients. The determining of the friction and wear mechanisms of the graphite powders, as a function of both their intrinsic characteristics and the applied normal load, is then possible.

  3. Macroscopic Subdivision of Silica Aerogel Collectors for Sample Return Missions

    SciTech Connect

    Ishii, H A; Bradley, J P

    2005-09-14

    Silica aerogel collector tiles have been employed for the collection of particles in low Earth orbit and, more recently, for the capture of cometary particles by NASA's Stardust mission. Reliable, reproducible methods for cutting these and future collector tiles from sample return missions are necessary to maximize the science output from the extremely valuable embedded particles. We present a means of macroscopic subdivision of collector tiles by generating large-scale cuts over several centimeters in silica aerogel with almost no material loss. The cut surfaces are smooth and optically clear allowing visual location of particles for analysis and extraction. This capability is complementary to the smaller-scale cutting capabilities previously described [Westphal (2004), Ishii (2005a, 2005b)] for removing individual impacts and particulate debris in tiny aerogel extractions. Macroscopic cuts enable division and storage or distribution of portions of aerogel tiles for immediate analysis of samples by certain techniques in situ or further extraction of samples suited for other methods of analysis.

  4. Microscopic and macroscopic instabilities in hyperelastic fiber composites

    NASA Astrophysics Data System (ADS)

    Slesarenko, Viacheslav; Rudykh, Stephan

    2017-02-01

    In this paper, we study the interplay between macroscopic and microscopic instabilities in 3D periodic fiber reinforced composites undergoing large deformations. We employ the Bloch-Floquet analysis to determine the onset of microscopic instabilities for composites with hyperelastic constituents. We show that the primary mode of buckling in the fiber composites is determined by the volume fraction of fibers and the contrast between elastic moduli of fiber and matrix phases. We find that for composites with volume fraction of fibers exceeding a threshold value, which depends on elastic modulus contrast, the primary buckling mode corresponds to the long wave or macroscopic instability. However, composites with a lower amount of fibers experience microscopic instabilities corresponding to wavy or helical buckling shapes. Buckling modes and critical wavelengths are shown to be highly tunable by material composition. A comparison between the instability behavior of 3D fiber composites and laminates, subjected to uniaxial compression, reveals the significant differences in critical strains, wavelengths, and transition points from macro- to microscopic instabilities in these composites.

  5. Influence of Carbon Nanotube Characteristics on Macroscopic Fiber Properties.

    PubMed

    Tsentalovich, Dmitri E; Headrick, Robert J; Mirri, Francesca; Hao, Junli; Behabtu, Natnael; Young, Colin C; Pasquali, Matteo

    2017-10-06

    We study how intrinsic parameters of carbon nanotube (CNT) samples affect the properties of macroscopic CNT fibers with optimized structure. We measure CNT diameter, number of walls, aspect ratio, graphitic character, and purity (residual catalyst and non-CNT carbon) in samples from 19 suppliers; we process the highest quality CNT samples into aligned, densely packed fibers, by using an established wet-spinning solution process. We find that fiber properties are mainly controlled by CNT aspect ratio and that sample purity is important for effective spinning. Properties appear largely unaffected by CNT diameter, number of walls, and graphitic character (determined by Raman G/D ratio) as long as the fibers comprise thin few-walled CNTs with high G/D ratio (above ∼20). We show that both strength and conductivity can be improved simultaneously by assembling high aspect ratio CNTs, producing continuous CNT fibers with an average tensile strength of 2.4 GPa and a room temperature electrical conductivity of 8.5 MS/m, ∼2 times higher than the highest reported literature value (∼15% of copper's value), obtained without postspinning doping. This understanding of the relationship of intrinsic CNT parameters to macroscopic fiber properties is key to guiding CNT synthesis and continued improvement of fiber properties, paving the way for CNT fiber introduction in large-scale aerospace, consumer electronics, and textile applications.

  6. Is ergodicity a reasonable hypothesis for macroscopic systems?

    NASA Astrophysics Data System (ADS)

    Gaveau, B.; Schulman, L. S.

    2015-07-01

    In the physics literature "ergodicity" is sometimes taken to mean that a system, including a macroscopic one, visits all microscopic states in a relatively short time. However, many authors have realized that this is impossible and we provide a rigorous bound demonstrating this fact. A related concept is the "thermal distribution." This enters in an understanding of dissipation, comparing the thermal state (the Boltzmann or Gibbs distribution) to its time evolute using relative entropy. The thermal distribution is based on the microcanonical ensemble, whose equal probability assumption is another phrasing of ergodicity in a macroscopic physical context. The puzzle then is why the results of these assumptions are in agreement with experience. We suggest (as others also have) reasons for this limited agreement, but note that the foundations of statistical mechanics make much stronger assumptions, assumptions that do not have the support of either reason or experience. This article is supplemented with comments by P. Gaspard, Y. Pomeau and H. Qian and a final reply by the authors.

  7. Contact between rough surfaces and a criterion for macroscopic adhesion

    PubMed Central

    Pastewka, Lars; Robbins, Mark O.

    2014-01-01

    At the molecular scale, there are strong attractive interactions between surfaces, yet few macroscopic surfaces are sticky. Extensive simulations of contact by adhesive surfaces with roughness on nanometer to micrometer scales are used to determine how roughness reduces the area where atoms contact and thus weakens adhesion. The material properties, adhesive strength, and roughness parameters are varied by orders of magnitude. In all cases, the area of atomic contact is initially proportional to the load. The prefactor rises linearly with adhesive strength for weak attractions. Above a threshold adhesive strength, the prefactor changes sign, the surfaces become sticky, and a finite force is required to separate them. A parameter-free analytic theory is presented that describes changes in these numerical results over up to five orders of magnitude in load. It relates the threshold adhesive strength to roughness and material properties, explaining why most macroscopic surfaces do not stick. The numerical results are qualitatively and quantitatively inconsistent with classical theories based on the Greenwood−Williamson approach that neglect the range of adhesion and do not include asperity interactions. PMID:24550489

  8. Traffic dynamics: Its impact on the Macroscopic Fundamental Diagram

    NASA Astrophysics Data System (ADS)

    Knoop, Victor L.; van Lint, Hans; Hoogendoorn, Serge P.

    2015-11-01

    Literature shows that-under specific conditions-the Macroscopic Fundamental Diagram (MFD) describes a crisp relationship between the average flow (production) and the average density in an entire network. The limiting condition is that traffic conditions must be homogeneous over the whole network. Recent works describe hysteresis effects: systematic deviations from the MFD as a result of loading and unloading. This article proposes a two dimensional generalization of the MFD, the so-called Generalized Macroscopic Fundamental Diagram (GMFD), which relates the average flow to both the average density and the (spatial) inhomogeneity of density. The most important contribution is that we show this is a continuous function, of which the MFD is a projection. Using the GMFD, we can describe the mentioned hysteresis patterns in the MFD. The underlying traffic phenomenon explaining the two dimensional surface described by the GMFD is that congestion concentrates (and subsequently spreads out) around the bottlenecks that oversaturate first. We call this the nucleation effect. Due to this effect, the network flow is not constant for a fixed number of vehicles as predicted by the MFD, but decreases due to local queueing and spill back processes around the congestion "nuclei". During this build up of congestion, the production hence decreases, which gives the hysteresis effects.

  9. The behavior of a macroscopic granular material in vortex flow

    NASA Astrophysics Data System (ADS)

    Nishikawa, Asami

    A granular material is defined as a collection of discrete particles such as powder and grain. Granular materials display a large number of complex behaviors. In this project, the behavior of macroscopic granular materials under tornado-like vortex airflow, with varying airflow velocity, was observed and studied. The experimental system was composed of a 9.20-cm inner diameter acrylic pipe with a metal mesh bottom holding the particles, a PVC duct, and an airflow source controlled by a variable auto-transformer, and a power-meter. A fixed fan blade was attached to the duct's inner wall to create a tornado-like vortex airflow from straight flow. As the airflow velocity was increased gradually, the behavior of a set of same-diameter granular materials was observed. The observed behaviors were classified into six phases based on the macroscopic mechanical dynamics. Through this project, we gained insights on the significant parameters for a computer simulation of a similar system by Heath Rice [5]. Comparing computationally and experimentally observed phase diagrams, we can see similar structure. The experimental observations showed the effect of initial arrangement of particles on the phase transitions.

  10. Inverted rank distributions: Macroscopic statistics, universality classes, and critical exponents

    NASA Astrophysics Data System (ADS)

    Eliazar, Iddo; Cohen, Morrel H.

    2014-01-01

    An inverted rank distribution is an infinite sequence of positive sizes ordered in a monotone increasing fashion. Interlacing together Lorenzian and oligarchic asymptotic analyses, we establish a macroscopic classification of inverted rank distributions into five “socioeconomic” universality classes: communism, socialism, criticality, feudalism, and absolute monarchy. We further establish that: (i) communism and socialism are analogous to a “disordered phase”, feudalism and absolute monarchy are analogous to an “ordered phase”, and criticality is the “phase transition” between order and disorder; (ii) the universality classes are characterized by two critical exponents, one governing the ordered phase, and the other governing the disordered phase; (iii) communism, criticality, and absolute monarchy are characterized by sharp exponent values, and are inherently deterministic; (iv) socialism is characterized by a continuous exponent range, is inherently stochastic, and is universally governed by continuous power-law statistics; (v) feudalism is characterized by a continuous exponent range, is inherently stochastic, and is universally governed by discrete exponential statistics. The results presented in this paper yield a universal macroscopic socioeconophysical perspective of inverted rank distributions.

  11. Microstructural evolution and macroscopic shrinkage in the presence of density gradients and agglomeration

    NASA Astrophysics Data System (ADS)

    Lu, Peizhen

    X-ray computed tomography (CT) can characterize internal density gradients. An in-situ laser dilatometry has been constructed to track dimensional change at different positions of a sample during binder removal and sintering. This combination of tools not only allows us to better understand how microscopic change affects macroscopic dimensions, but also provides guidance for a variety of ceramic processes. Non-uniform agglomerate packing and deformation provide density gradients which drive binder migration during binder removal. Simultaneously, density undergoes a slight decrease accompanied by a 1.0% loss in dimensional tolerance. This and CT difference images suggest that capillary forces generated during binder melting can change the density distribution. During sintering, nonuniformities present in the green state persist into the fired state and become exaggerated. Regions of different initial density can occupy different stages sintering. At ˜88% sintered density, CT clearly showed that open porosity follows the distribution of low density areas. Mercury porosimetry detected three distinct levels of porosity. Microstructural examination correlated the porosity level with the coordination of (i) two to three or (ii) multiple grains around pores. Microstructural packing controls both the observed macroscopic expansion at T ≤ 1000°C and the onset of shrinkage. Neck formation initiates during expansion and not exclusively during shrinkage. Inter- and intra-agglomerate expansion/shrinkage proceed simultaneously but the effective 'transmission' of particle-level behavior to the macroscopic level appears to be controlled by the initial agglomerate bonding and internal agglomerate densities. Discrete element modeling provides corroborating evidence regarding the importance of compact continuity. Following the expansion-shrinkage transition, the higher the zone density the faster the initial shrinkage. The 25% RH sample shrank more rapidly than the same zone in

  12. Adhesion of hydrogels under water by hydrogen bonding: from molecular interactions to macroscopic adhesion

    NASA Astrophysics Data System (ADS)

    Creton, Costantino

    2012-02-01

    Hydrogels are an essential part of living organisms and are widely used in biotechnologies, health care and food science. Although swelling properties, cell adhesion on gel surfaces and gel elasticity have attracted much interest, macroscopic adhesion of hydrogels on solid surfaces in aqueous environment is much less well understood. We studied systematically and in aqueous environment, the reversible adhesion by hydrogen bonding of macroscopic model hydrogels of polydimethylacrylamide (PDMA) or of polyacrylamide (PAAm) on solid surfaces functionalized with polyacrylic acid (PAA) polymer brushes. The hydrogels were synthesized by free radical polymerization and the brushes were prepared by grafting polytertbutyl acrylate chains and converting them by pyrolisis into polyacrylic acid. A new adhesion tester based on the flat punch geometry was designed and used to control the contact area, contact time, contact pressure and debonding velocity of the gels from the surface while the samples were fully immersed in water. The adhesion tests were performed at different pH and temperatures and the modulus of the gel and grafting density and molecular weight of the brushes was varied. Macroscopic adhesion results were compared with phase diagrams in dilute solution to detect molecular interactions. While the PDMA/PAA pair behaved very similarly in solution and in macroscopic adhesion tests, the PAAm/PAA pair showed an unexpectedly high adhesion level relatively to its complexation ability in dilute solution. Surprisingly, time dependent experiments showed that the kinetics of H-bond formation and breakup at interfaces was very slow resulting in adhesion energies which were very dependent on contact time up to one hour of contact. At the molecular level, neutron reflectivity showed that the equilibrium brush conformation when in contact with the gels was more extended at pH2 (H-bonds activated) than at pH9 (H-bonds deactivated) and that a certain applied pressure was

  13. Macroscopic Phase Separation, Modulated Phases, and Microemulsions: A Unified Picture of Rafts

    PubMed Central

    Shlomovitz, Roie; Maibaum, Lutz; Schick, M.

    2014-01-01

    We simulate a simple phenomenological model describing phase behavior in a multicomponent membrane, a model capable of producing macroscopic phase separation, modulated phases, and microemulsions, all of which have been discussed in terms of raft phenomena. We show that one effect of thermal fluctuations on the mean-field phase diagram is that it permits a direct transition between either one of the coexisting liquid phases to a microemulsion. This implies that one system exhibiting phase separation can be related to a similar system exhibiting the heterogeneities characteristic of a microemulsion. The two systems could differ in their average membrane composition or in the relative compositions of their exoplasmic and cytoplasmic leaves. The model provides a unified description of these raft-associated phenomena. PMID:24806930

  14. Macroscopically constrained Wang-Landau method for systems with multiple order parameters and its application to drawing complex phase diagrams

    NASA Astrophysics Data System (ADS)

    Chan, C. H.; Brown, G.; Rikvold, P. A.

    2017-05-01

    A generalized approach to Wang-Landau simulations, macroscopically constrained Wang-Landau, is proposed to simulate the density of states of a system with multiple macroscopic order parameters. The method breaks a multidimensional random-walk process in phase space into many separate, one-dimensional random-walk processes in well-defined subspaces. Each of these random walks is constrained to a different set of values of the macroscopic order parameters. When the multivariable density of states is obtained for one set of values of fieldlike model parameters, the density of states for any other values of these parameters can be obtained by a simple transformation of the total system energy. All thermodynamic quantities of the system can then be rapidly calculated at any point in the phase diagram. We demonstrate how to use the multivariable density of states to draw the phase diagram, as well as order-parameter probability distributions at specific phase points, for a model spin-crossover material: an antiferromagnetic Ising model with ferromagnetic long-range interactions. The fieldlike parameters in this model are an effective magnetic field and the strength of the long-range interaction.

  15. Cholesterics of colloidal helices: Predicting the macroscopic pitch from the particle shape and thermodynamic state

    SciTech Connect

    Dussi, Simone Dijkstra, Marjolein; Belli, Simone; Roij, René van

    2015-02-21

    Building a general theoretical framework to describe the microscopic origin of macroscopic chirality in (colloidal) liquid crystals is a long-standing challenge. Here, we combine classical density functional theory with Monte Carlo calculations of virial-type coefficients to obtain the equilibrium cholesteric pitch as a function of thermodynamic state and microscopic details. Applying the theory to hard helices, we observe both right- and left-handed cholesteric phases that depend on a subtle combination of particle geometry and system density. In particular, we find that entropy alone can even lead to a (double) inversion in the cholesteric sense of twist upon changing the packing fraction. We show how the competition between single-particle properties (shape) and thermodynamics (local alignment) dictates the macroscopic chiral behavior. Moreover, by expanding our free-energy functional, we are able to assess, quantitatively, Straley’s theory of weak chirality, which is used in several earlier studies. Furthermore, by extending our theory to different lyotropic and thermotropic liquid-crystal models, we analyze the effect of an additional soft interaction on the chiral behavior of the helices. Finally, we provide some guidelines for the description of more complex chiral phases, like twist-bend nematics. Our results provide new insights into the role of entropy in the microscopic origin of this state of matter.

  16. Encapsulation of DNA in macroscopic and nanosized calcium alginate gel particles.

    PubMed

    Machado, Alexandra H E; Lundberg, Dan; Ribeiro, António J; Veiga, Francisco J; Miguel, Maria G; Lindman, Björn; Olsson, Ulf

    2013-12-23

    Calcium alginate beads, which are biodegradable and biocompatible, have been widely employed as delivery matrices for biomacromolecules. In the present work, the feasibility of encapsulation of DNA (which is used as a model biomacromolecule) in calcium alginate nanobeads (sub-200 nm size), prepared using a recently developed protocol based on the phase inversion temperature (PIT) emulsification method [Machado et al. Langmuir 2012, 28, 4131-4141], was assessed. The properties of the nanobeads were compared to those of the corresponding macroscopic (millimeter sized) calcium alginate beads. It was found that DNA, representing a relatively stiff and highly charged polyanion (thus like-charged to alginate), could be efficiently encapsulated in both nanosized and macroscopic beads, with encapsulation yields in the range of 77-99%. Complete release of DNA from the beads could be accomplished on dissolution of the gel by addition of a calcium-chelating agent. Importantly, the DNA was not denatured or fragmented during the preparation and collection of the nanobeads, which are good indicators of the mildness of the preparation protocol used. The calcium alginate nanobeads prepared by the herein utilized protocol thus show good potential to be used as carriers of sensitive biomacromolecules.

  17. Influence of the bromo group on the vibrational spectra and macroscopic properties of benzophenone derivatives

    NASA Astrophysics Data System (ADS)

    Babkov, L. M.; Baran, J.; Davydova, N. A.; Drozd, D.; Pyshkin, O. S.; Uspenskiy, K. E.

    2008-09-01

    The effects of a minor chemical modification such as a change in the position of a Br atom within the same phenyl ring on the optical and macroscopic properties of benzophenone derivatives are investigated by spectroscopic and calorimetry methods. More specifically, we have studied IR and Raman spectra of the two isomers of monosubstituted benzophenones: 2-bromobenzophenone (2BrBP) and 4-bromobenzophenone (4BrBP) in the wide spectral and temperature regions. It has been found that the substitution of a Br in an ortho position leads to some changes of the anharmonicity of the ν(C dbnd O) vibrations. Full geometry optimization and vibrational spectra modeling for 2BrBP and 4BrBP isolated molecules have been calculated by the density functional method (B3LYP/6-31+G(d)) using GAUSSIAN'03 software. Quantum-mechanical calculations for the isolated molecules have shown that the shape of 2BrBP molecule is strongly asymmetric in comparison with the shape of 4BrBP molecule. A change in the molecular shape translates into rather different macroscopic properties such as the crystal melting points. Namely, the melting point of 2BrBP (318 K) was found to be lower than that of 4BrBP isomorphs (358 K). Moreover, 2BrBP exhibits a large reluctance to crystallize, while 4BrBP crystallizes immediately below the melting point as a liquid is cooled.

  18. Predicting macroscopic thermal expansion of metastable liquid metals with only one thousand atoms

    NASA Astrophysics Data System (ADS)

    Wang, HaiPeng; Yang, ShangJing; Wei, BingBo

    2014-12-01

    Results of thermal expansion prediction from atomic scale for metastable liquid metals are reported herein. Three pure liquid metals Ni, Fe, and Cu together with ternary Ni60Fe20Cu20 alloy are used as models. The pair distribution functions were employed to monitor the atomic structure. This indicates that the simulated systems are ordered in atomic short range and disordered in long range. The thermal expansion coefficient was computed as functions of temperature and atom cutoff radius, which tends to maintain a constant when the cutoff radius increases to approximately 15 Å. In such a case, slightly more than 1000 atoms are required for liquid Ni, Cu, Fe and Ni60Fe20Cu20 alloy, that is, the macroscopic thermal expansion can be predicted from the volume change of such a tiny cell. Furthermore, the expansion behaviors of the three types of atoms in liquid Ni60Fe20Cu20 alloy are revealed by the calculated partial expansion coefficient. This provides a fundamental method to predict the macroscopic thermal expansion from the atomic scale for liquid alloys, especially in the undercooled regime.

  19. Macroscopic and microscopic spectral properties of brain networks during local and global synchronization

    NASA Astrophysics Data System (ADS)

    Maksimenko, Vladimir A.; Lüttjohann, Annika; Makarov, Vladimir V.; Goremyko, Mikhail V.; Koronovskii, Alexey A.; Nedaivozov, Vladimir; Runnova, Anastasia E.; van Luijtelaar, Gilles; Hramov, Alexander E.; Boccaletti, Stefano

    2017-07-01

    We introduce a practical and computationally not demanding technique for inferring interactions at various microscopic levels between the units of a network from the measurements and the processing of macroscopic signals. Starting from a network model of Kuramoto phase oscillators, which evolve adaptively according to homophilic and homeostatic adaptive principles, we give evidence that the increase of synchronization within groups of nodes (and the corresponding formation of synchronous clusters) causes also the defragmentation of the wavelet energy spectrum of the macroscopic signal. Our methodology is then applied to getting a glance into the microscopic interactions occurring in a neurophysiological system, namely, in the thalamocortical neural network of an epileptic brain of a rat, where the group electrical activity is registered by means of multichannel EEG. We demonstrate that it is possible to infer the degree of interaction between the interconnected regions of the brain during different types of brain activities and to estimate the regions' participation in the generation of the different levels of consciousness.

  20. Method to compute wave function evolution from microscopic to macroscopic distances

    NASA Astrophysics Data System (ADS)

    Sternberg, James

    2007-06-01

    The treatment of loosely bound and continuum electrons in atomic collisions has provided challenges for calculations of these systems. These challenges have not been fully overcome for ion- atom collisions since electron wave functions evolve from microscopic to macroscopic distances. One major source of difficulty is that solutions to the time-dependent Schr"odinger equation contain an essential singularity at infinity which makes numerical modeling of these systems difficult for large distances. We have identified this essential singularity and developed a method to treat these systems which is extremely efficient and stable. The method is Gallelian invariant, which avoids any ambiguity about what the proper frame of reference should be. It also avoids numerical inaccuracies induced by reflection or absorption at finite boundaries. Wave functions can easily be propagated out to macroscopic distances instead of only approximately 100 au. Finally, the results are consistent with the hidden crossing theory at low impact energies and the Born theory at high energies. In both regimes the electron distribution agree qualitatively with experiment.