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. Macroscopic Models of Superconductivity

    NASA Astrophysics Data System (ADS)

    Chapman, S. J.

    Available from UMI in association with The British Library. Requires signed TDF. After giving a description of the basic physical phenomena to be modelled, we begin by formulating a sharp -interface free-boundary model for the destruction of superconductivity by an applied magnetic field, under isothermal and anisothermal conditions, which takes the form of a vectorial Stefan model similar to the classical scalar Stefan model of solid/liquid phase transitions and identical in certain two-dimensional situations. This model is found sometimes to have instabilities similar to those of the classical Stefan model. We then describe the Ginzburg-Landau theory of superconductivity, in which the sharp interface is 'smoothed out' by the introduction of an order parameter, representing the number density of superconducting electrons. By performing a formal asymptotic analysis of this model as various parameters in it tend to zero we find that the leading order solution does indeed satisfy the vectorial Stefan model. However, at the next order we find the emergence of terms analogous to those of 'surface tension' and 'kinetic undercooling' in the scalar Stefan model. Moreover, the 'surface energy' of a normal/superconducting interface is found to take both positive and negative values, defining Type I and Type II superconductors respectively. We discuss the response of superconductors to external influences by considering the nucleation of superconductivity with decreasing magnetic field and with decreasing temperature respectively, and find there to be a pitchfork bifurcation to a superconducting state which is subcritical for Type I superconductors and supercritical for Type II superconductors. We also examine the effects of boundaries on the nucleation field, and describe in more detail the nature of the superconducting solution in Type II superconductors--the so-called 'mixed state'. Finally, we present some open questions concerning both the modelling and analysis of

  4. 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

  5. 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

  6. 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.

  7. 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.

  8. Modeling tumor cell migration: From microscopic to macroscopic models

    NASA Astrophysics Data System (ADS)

    Deroulers, Christophe; Aubert, Marine; Badoual, Mathilde; Grammaticos, Basil

    2009-03-01

    It has been shown experimentally that contact interactions may influence the migration of cancer cells. Previous works have modelized this thanks to stochastic, discrete models (cellular automata) at the cell level. However, for the study of the growth of real-size tumors with several million cells, it is best to use a macroscopic model having the form of a partial differential equation (PDE) for the density of cells. The difficulty is to predict the effect, at the macroscopic scale, of contact interactions that take place at the microscopic scale. To address this, we use a multiscale approach: starting from a very simple, yet experimentally validated, microscopic model of migration with contact interactions, we derive a macroscopic model. We show that a diffusion equation arises, as is often postulated in the field of glioma modeling, but it is nonlinear because of the interactions. We give the explicit dependence of diffusivity on the cell density and on a parameter governing cell-cell interactions. We discuss in detail the conditions of validity of the approximations used in the derivation, and we compare analytic results from our PDE to numerical simulations and to some in vitro experiments. We notice that the family of microscopic models we started from includes as special cases some kinetically constrained models that were introduced for the study of the physics of glasses, supercooled liquids, and jamming systems.

  9. Hyperspectral unmixing using macroscopic and microscopic mixture models

    NASA Astrophysics Data System (ADS)

    Close, Ryan; Gader, Paul; Wilson, Joseph

    2014-01-01

    Macroscopic and microscopic mixture models and algorithms for hyperspectral unmixing are presented. Unmixing algorithms are derived from an objective function. The objective function incorporates the linear mixture model for macroscopic unmixing and a nonlinear mixture model for microscopic unmixing. The nonlinear mixture model is derived from a bidirectional reflectance distribution function for microscopic mixtures. The algorithm is designed to unmix hyperspectral images composed of macroscopic or microscopic mixtures. The mixture types and abundances at each pixel can be estimated directly from the data without prior knowledge of mixture types. Endmembers can also be estimated. Results are presented using synthetic data sets of macroscopic and microscopic mixtures and using well-known, well-characterized laboratory data sets. The unmixing accuracy of this new physics-based algorithm is compared to linear methods and to results published for other nonlinear models. The proposed method achieves the best unmixing accuracy.

  10. Charge radii in macroscopic-microscopic mass models

    SciTech Connect

    Buchinger, F.; Pearson, J.M.

    2005-11-01

    We show that the FRLDM model currently being used in macroscopic-microscopic fission-barrier calculations gives a rather poor agreement with measured charge radii. Considerable improvement in this respect can be made by adjusting the diffuseness parameter b.

  11. 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.

  12. 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.…

  13. 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).

  14. Modeling macroscopic response of random composites

    SciTech Connect

    Aidun, J.B.; Rintoul, M.D.; Lo, D.C.S.

    1998-02-01

    Preliminary work is presented on an effort to generate synthetic constitutive data for random composite materials. The long-ranged goal is to use the overall response determined from finite element simulations of representative volumes (RV) of the heterogeneous material to construct a homogenized constitutive model. A simple composite of a matrix containing polydispersed spheres was chosen as the first configuration to simulate. Here the accuracy of the numerical simulation tools is tested by determining effective elastic constants of the ordered elastic composite in which equal-sized spheres are arranged in each of three cubic lattice configurations. The resulting anisotropic effective elastic constant values agree with theoretical results to better than 10%, with typical agreement being better than 4%.

  15. 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

  16. Fast Analytical Methods for Macroscopic Electrostatic Models in Biomolecular Simulations*

    PubMed Central

    Xu, Zhenli; Cai, Wei

    2013-01-01

    We review recent developments of fast analytical methods for macroscopic electrostatic calculations in biological applications, including the Poisson–Boltzmann (PB) and the generalized Born models for electrostatic solvation energy. The focus is on analytical approaches for hybrid solvation models, especially the image charge method for a spherical cavity, and also the generalized Born theory as an approximation to the PB model. This review places much emphasis on the mathematical details behind these methods. PMID:23745011

  17. 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.

  18. Macroscopic Modeling of In Vivo Drug Transport in Electroporated Tissue.

    PubMed

    Boyd, Bradley; Becker, Sid

    2016-03-01

    This study develops a macroscopic model of mass transport in electroporated biological tissue in order to predict the cellular drug uptake. The change in the macroscopic mass transport coefficient is related to the increase in electrical conductivity resulting from the applied electric field. Additionally, the model considers the influences of both irreversible electroporation (IRE) and the transient resealing of the cell membrane associated with reversible electroporation. Two case studies are conducted to illustrate the applicability of this model by comparing transport associated with two electrode arrangements: side-by-side arrangement and the clamp arrangement. The results show increased drug transmission to viable cells is possible using the clamp arrangement due to the more uniform electric field. PMID:26720199

  19. 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.

  20. The mirrors model: macroscopic diffusion without noise or chaos

    NASA Astrophysics Data System (ADS)

    Chiffaudel, Yann; Lefevere, Raphaël

    2016-03-01

    Before stating our main result, we first clarify through classical examples the status of the laws of macroscopic physics as laws of large numbers. We next consider the mirrors model in a finite d-dimensional domain and connected to particles reservoirs at fixed chemical potentials. The dynamics is purely deterministic and non-ergodic but takes place in a random environment. We study the macroscopic current of particles in the stationary regime. We show first that when the size of the system goes to infinity, the behaviour of the stationary current of particles is governed by the proportion of orbits crossing the system. This allows us to formulate a necessary and sufficient condition on the distribution of the set of orbits that ensures the validity of Fick’s law. Using this approach, we show that Fick’s law relating the stationary macroscopic current of particles to the concentration difference holds in three dimensions and above. The negative correlations between crossing orbits play a key role in the argument.

  1. 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.

  2. 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.

  3. Nuclear masses from unified macroscopic-microscopic model

    SciTech Connect

    Moeller, P.; Nix, J.F.

    1988-07-01

    We calculate ground-state masses for 4678 nuclei ranging from /sup 16/O to /sup 318/122 by means of an improved version of the macroscopic-microscopic model employed in our 1981 mass calculation, which uses a Yukawa-plus-exponential model for the macroscopic term and a folded-Yukawa single-particle potential as starting point for the microscopic term. Some of the new features now incorporated are a new model for the average pairing strength, the solution of the microscopic pairing equations by use of the Lipkin-Nogami method with approximate particle-number conservation, the use of experimental mass uncertainties in determining the model parameters, and an estimation of the theoretical error of the model by application of the maximum-likelihood method. Only five parameters are determined from least-squares fitting to the nuclear masses; the other constants in the model are taken from previous work with no adjustment. The resulting theoretical error in the calculated ground-state masses fo 1593 nuclei ranging from /sup 16/O to /sup 263/106 is 0.832 MeV. We also extend the calculation to some additional nuclei in the heavy and superheavy region that were not considered in 1981. The present calculation represents an interim report on a project in which we plan to make further improvements and extend the region of nuclei considered to the neutron and proton drip lines. copyright 1988 Academic Press, Inc.

  4. 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.

  5. 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. PMID:11911788

  6. Macroscopic extension of RRK and Weisskopf models of unimolecular evaporation

    NASA Astrophysics Data System (ADS)

    L'Hermite, Jean-Marc; Zamith, Sebastien

    2012-10-01

    The macroscopic behavior of two microscopic unimolecular evaporation models is examined. The temperature dependences of bulk equilibrium vapor pressures deduced from the Rice-Ramsperger-Kassel (RRK) model and from the Weisskopf model, respectively, are compared. The bulk vapor pressures of sodium given by both models are compared, over a wide temperature range, with the experimental vapor pressures. The Weisskopf model is in better agreement with the experimental data than the RRK theory: from the melting temperature to the critical temperature (˜ 370 K-2500 K), the vapor pressures of sodium calculated using the Weisskopf model agree with experimental values within 2%, whereas the RRK theory leads to errors of more than 40%. The Weisskopf theory satisfying the detailed balance principle, whereas the RRK theory does not, may explain this result.

  7. 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. PMID:19604058

  8. Macroscopic modeling of plant water uptake: soil and root resistances

    NASA Astrophysics Data System (ADS)

    Vogel, Tomas; Votrubova, Jana; Dohnal, Michal; Dusek, Jaromir

    2014-05-01

    The macroscopic physically-based plant root water uptake (RWU) model, based on water-potential-gradient formulation (Vogel et al., 2013), was used to simulate the observed soil-plant-atmosphere interactions at a forest site located in a temperate humid climate of central Europe and to gain an improved insight into the mutual interplay of RWU parameters that affects the soil water distribution in the root zone. In the applied RWU model, the uptake rates are directly proportional to the potential gradient and indirectly proportional to the local soil and root resistances to water flow. The RWU algorithm is implemented in a one-dimensional dual-continuum model of soil water flow based on Richards' equation. The RWU model is defined by four parameters (root length density distribution, average active root radius, radial root resistance, and the threshold value of the root xylem potential). In addition, soil resistance to water extraction by roots is related to soil hydraulic conductivity function and actual soil water content. The RWU model is capable of simulating both the compensatory root water uptake, in situations when reduced uptake from dry layers is compensated by increased uptake from wetter layers, and the root-mediated hydraulic redistribution of soil water, contributing to more natural soil moisture distribution throughout the root zone. The present study focusses on the sensitivity analysis of the combined soil water flow and RWU model responses in respect to variations of RWU model parameters. Vogel T., M. Dohnal, J. Dusek, J. Votrubova, and M. Tesar. 2013. Macroscopic modeling of plant water uptake in a forest stand involving root-mediated soil-water redistribution. Vadose Zone Journal, 12, 10.2136/vzj2012.0154.

  9. 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.

  10. Explicit dosimetry for photodynamic therapy: macroscopic singlet oxygen modeling

    PubMed Central

    Wang, Ken Kang-Hsin; Finlay, Jarod C.; Busch, Theresa M.; Hahn, Stephen M.; Zhu, Timothy C.

    2011-01-01

    Singlet oxygen (1O2) is the major cytotoxic agent responsible for cell killing for type-II photodynamic therapy (PDT). An empirical four-parameter macroscopic model is proposed to calculate the “apparent reacted 1O2 concentration”, [1O2]rx, as a clinical PDT dosimetry quantity. This model incorporates light diffusion equation and a set of PDT kinetics equations, which can be applied in any clinical treatment geometry. We demonstrate that by introducing a fitting quantity “apparent singlet oxygen threshold concentration” [1O2]rx,sd, it is feasible to determine the model parameters by fitting the computed [1O2]rx to the Photofrin-mediated PDT-induced necrotic distance using interstitially-measured Photofrin concentration and optical properties within each mouse. After determining the model parameters and the [1O2]rx,sd, we expect to use this model as an explicit dosimetry to assess PDT treatment outcome for a specific photosensitizer in an in vivo environment. The results also provide evidence that the [1O2]rx, because it takes into account the oxygen consumption (or light fluence rate) effect, can be a better predictor of PDT outcome than the PDT dose defined as the energy absorbed by the photosensitizer, which is proportional to the product of photosensitizer concentration and light fluence. PMID:20222102

  11. 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.

  12. 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

  13. 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.

  14. 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

  15. Macroscopic models for predicting changes in saturated porous media properties caused by microbial growth

    SciTech Connect

    Clement, T.P.; Hooker, B.S.; Skeen, R.S.

    1996-09-01

    Analytical equations are developed to model changes in porosity, specific surface area, and permeability caused by biomass accumulation in porous media. The proposed equations do not assume any specific pattern for microbial growth but instead are based on macroscopic estimates of average biomass concentrations. For porous media with a pore-size distribution index value ({lambda}) equal to 3, the macroscopic model predictions of porosity, specific surface area, and permeability changes are in exact agreement with biofilm-model predictions. At other values of {lambda} between 2 and 5, simulated porosity profiles are identical and relative specific surface area and permeability profiles show minor deviations. In comparison to biofilm-based models, the macroscopic models are relatively simple to implement and are computationally more efficient. Simulations of biologically reactive flow in a one-dimensional column show that the macroscopic and biofilm approach based transport codes predict almost identical porosity and permeability profiles. The macroscopic models are simple and useful tools for estimating changes in various porous media properties during bioremediation of contaminated aquifers.

  16. 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. PMID:24615064

  17. Kinetic Modelling of Macroscopic Properties Changes during Crosslinked Polybutadiene Oxidation

    NASA Astrophysics Data System (ADS)

    Audouin, Ludmila; Coquillat, Marie; Colin, Xavier; Verdu, Jacques; Nevière, Robert

    2008-08-01

    The thermal oxidation of additive free hydroxyl-terminated polybutadiene (HTPB) isocyanate crosslinked rubber bulk samples has been studied at 80, 100 and 120 °C in air. The oxidation kinetics has been monitored by gravimetry and thickness distribution of oxidation products was determined by FTIR mapping. Changes of elastic shear modulus G' during oxidation were followed during oxidation at the same temperatures. The kinetic model established previously for HTPB has been adapted for bulk sample oxidation using previously determined set of kinetic parameters. Oxygen diffusion control of oxidation has been introduced into the model. The mass changes kinetic curves and oxidation products profiles were simulated and adequate fit was obtained. Using the rubber elasticity theory the elastic modulus changes were simulated taking into account the elastically active chains concentration changes due to chain scission and crosslinking reactions. The reasonable fit of G' as a function of oxidation time experimental curves was obtained.

  18. 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.

  19. 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.

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

    PubMed

    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

  1. 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

  2. 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. PMID:25011981

  3. 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

  4. 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.

  5. Experimental test of macroscopic models for exchange anisotropy in FM/AF bilayers

    NASA Astrophysics Data System (ADS)

    Rezende, S. M.; Azevedo, A.; de Aguiar, F. M.; Lucena, M. A.; Fermin, J. R.; Parkin, S. S. P.

    2004-05-01

    Ferromagnetic resonance measurements in two series of ferromagnetic (FM)/antiferromagnetic (AF) bilayer samples of NiFe( t)/NiO and CoFe( t)/IrMn have been used to test macroscopic models for exchange anisotropy. The domain-wall model incorporating a rotatable anisotropy field is the one that best fits the data. All fields of interfacial origin extracted from the fits show the predicted 1 t dependence with the FM layer thickness.

  6. Macroscopic degeneracy and order in the 3D plaquette Ising model

    NASA Astrophysics Data System (ADS)

    Johnston, Desmond A.; Mueller, Marco; Janke, Wolfhard

    2015-07-01

    The purely plaquette 3D Ising Hamiltonian with the spins living at the vertices of a cubic lattice displays several interesting features. The symmetries of the model lead to a macroscopic degeneracy of the low-temperature phase and prevent the definition of a standard magnetic order parameter. Consideration of the strongly anisotropic limit of the model suggests that a layered, “fuki-nuke” order still exists and we confirm this with multi-canonical simulations. The macroscopic degeneracy of the low-temperature phase also changes the finite-size scaling corrections at the first-order transition in the model and we see this must be taken into account when analyzing our measurements.

  7. 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.

  8. Macroscopic modeling of anisotropic magnetostriction and magnetization in soft ferromagnetic materials

    NASA Astrophysics Data System (ADS)

    Mbengue, Serigne Saliou; Buiron, Nicolas; Lanfranchi, Vincent

    2016-04-01

    Magnetic and magnetoelastic properties of soft ferromagnetic materials, used as laminated sheets, are sensitive to manufacturing processes such as rolling, cutting and coating. One of the effects of these processes is to induce an anisotropic behavior of materials. Therefore, an anhysteretic magnetostriction and magnetization calculation taking into account the anisotropy effect at macroscopic scale is presented. This model is based on the expression and then the minimization of the total energy in order to determine magnetization and magnetostriction at equilibrium. The total energy to minimize depends on energy terms identified from measurements of the magnetization and magnetostriction at a scale large enough to neglect the heterogeneity due to grains. Therefore, this approach attempts to reproduce ferromagnetic polycrystal behavior at macroscopic without knowing texture (Orientation Density Function) nor grain properties.

  9. 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.

  10. Population dynamics of the modified theta model: macroscopic phase reduction and bifurcation analysis link microscopic neuronal interactions to macroscopic gamma oscillation.

    PubMed

    Kotani, Kiyoshi; Yamaguchi, Ikuhiro; Yoshida, Lui; Jimbo, Yasuhiko; Ermentrout, G Bard

    2014-06-01

    Gamma oscillations of the local field potential are organized by collective dynamics of numerous neurons and have many functional roles in cognition and/or attention. To mathematically and physiologically analyse relationships between individual inhibitory neurons and macroscopic oscillations, we derive a modification of the theta model, which possesses voltage-dependent dynamics with appropriate synaptic interactions. Bifurcation analysis of the corresponding Fokker-Planck equation (FPE) enables us to consider how synaptic interactions organize collective oscillations. We also develop the adjoint method (infinitesimal phase resetting curve) for simultaneous equations consisting of ordinary differential equations representing synaptic dynamics and a partial differential equation for determining the probability distribution of the membrane potential. This method provides a macroscopic phase response function (PRF), which gives insights into how it is modulated by external perturbation or internal changes of parameters. We investigate the effects of synaptic time constants and shunting inhibition on these gamma oscillations. The sensitivity of rising and decaying time constants is analysed in the oscillatory parameter regions; we find that these sensitivities are not largely dependent on rate of synaptic coupling but, rather, on current and noise intensity. Analyses of shunting inhibition reveal that it can affect both promotion and elimination of gamma oscillations. When the macroscopic oscillation is far from the bifurcation, shunting promotes the gamma oscillations and the PRF becomes flatter as the reversal potential of the synapse increases, indicating the insensitivity of gamma oscillations to perturbations. By contrast, when the macroscopic oscillation is near the bifurcation, shunting eliminates gamma oscillations and a stable firing state appears. More interestingly, under appropriate balance of parameters, two branches of bifurcation are found in our

  11. Measurement of cardiac output in children by bioreactance.

    PubMed

    Ballestero, Yolanda; López-Herce, Jesús; Urbano, Javier; Solana, Maria José; Botrán, Marta; Bellón, Jose M; Carrillo, Angel

    2011-04-01

    The objective of this study was to evaluate a new bioreactance method for noninvasive cardiac output (CO) measurement (NICOM) in children. Ten patients between 1 and 144 months of age and with no hemodynamic disturbances were studied. Using bioreactance, heart rate (HR), mean arterial pressure (MAP), and cardiac index (CI) measurements were made every 6-8 h. CI was 2.4 ± 1.03 l/min/1.73 m(2) (range 1-4.9 l/min/1.73 m(2)); There were significant correlations between CI and age (r = 0.50, P = 0.003), weight (r = 0.66, P < 0.001), and MAP (r = 0.369, P = 0.037). Significant differences in CI (P < 0.001) were detected between children weighing <10 kg (1.9 ± 0.73 l/min/1.73 m(2); range 1-3.2), 10-20 kg (2.07 ± 0.7 l/min/1.73 m(2); range 1-3.6), and >20 kg (3.7 ± 0.8 l/min/1.73 m(2); range 2.4-4.9). We conclude that the CI measured by bioreactance in children varies with the age and weight of the patients and is lower than the normal range in a large percentage of measurements. These data suggest that this method is not useful for evaluating CI in small children. PMID:21318463

  12. Macroscopic Models of Local Field Potentials and the Apparent 1/f Noise in Brain Activity

    PubMed Central

    Bédard, Claude; Destexhe, Alain

    2009-01-01

    The power spectrum of local field potentials (LFPs) has been reported to scale as the inverse of the frequency, but the origin of this 1/f noise is at present unclear. Macroscopic measurements in cortical tissue demonstrated that electric conductivity (as well as permittivity) is frequency-dependent, while other measurements failed to evidence any dependence on frequency. In this article, we propose a model of the genesis of LFPs that accounts for the above data and contradictions. Starting from first principles (Maxwell equations), we introduce a macroscopic formalism in which macroscopic measurements are naturally incorporated, and also examine different physical causes for the frequency dependence. We suggest that ionic diffusion primes over electric field effects, and is responsible for the frequency dependence. This explains the contradictory observations, and also reproduces the 1/f power spectral structure of LFPs, as well as more complex frequency scaling. Finally, we suggest a measurement method to reveal the frequency dependence of current propagation in biological tissue, and which could be used to directly test the predictions of this formalism. PMID:19348744

  13. 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. PMID:25790973

  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. PMID:21952610

  15. 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.

  16. Field-induced macroscopic barrier model for persistent photoconductivity in nanocrystalline oxide thin-film transistors

    NASA Astrophysics Data System (ADS)

    Choi, Hyun-Sik; Jeon, Sanghun

    2014-03-01

    Persistent photoconductivity (PPC) in nanocrystalline InZnO thin-film transistors (TFTs) was studied using carrier fluctuation measurements and transient analysis. Low-frequency noise measurements and decay kinetics indicate that the band bending by the external field together with the ionized oxygen vacancy (Vo++) generated during the light exposure is the main cause of the PPC phenomenon. Based on these observations, a field-induced macroscopic barrier model is proposed as the origin of PPC for InZnO TFTs. In particular, this model explains that the carrier separation between e and Vo++ is induced by the external field applied to the three electrodes inside the transistor.

  17. 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.

  18. Existence and stability of limit cycles in a macroscopic neuronal population model

    NASA Astrophysics Data System (ADS)

    Rodrigues, Serafim; Gonçalves, Jorge; Terry, John R.

    2007-09-01

    We present rigorous results concerning the existence and stability of limit cycles in a macroscopic model of neuronal activity. The specific model we consider is developed from the Ki set methodology, popularized by Walter Freeman. In particular we focus on a specific reduction of the KII sets, denoted RKII sets. We analyse the unfolding of supercritical Hopf bifurcations via consideration of the normal forms and centre manifold reductions. Subsequently we analyse the global stability of limit cycles on a region of parameter space and this is achieved by applying a new methodology termed Global Analysis of Piecewise Linear Systems. The analysis presented may also be used to consider coupled systems of this type. A number of macroscopic mean-field approaches to modelling human EEG may be considered as coupled RKII networks. Hence developing a theoretical understanding of the onset of oscillations in models of this type has important implications in clinical neuroscience, as limit cycle oscillations have been demonstrated to be critical in the onset of certain types of epilepsy.

  19. 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.

  20. Mapping Nonequilibrium onto Equilibrium: The Macroscopic Fluctuations of Simple Transport Models

    NASA Astrophysics Data System (ADS)

    Tailleur, Julien; Kurchan, Jorge; Lecomte, Vivien

    2007-10-01

    We study a simple transport model driven out of equilibrium by reservoirs at the boundaries, corresponding to the hydrodynamic limit of the symmetric simple exclusion process. We show that a nonlocal transformation of densities and currents maps the large deviations of the model into those of an open, isolated chain satisfying detailed balance, where rare fluctuations are the time reversals of relaxations. We argue that the existence of such a mapping is the immediate reason why it is possible for this model to obtain an explicit solution for the large-deviation function of densities through elementary changes of variables. This approach can be generalized to the other models previously treated with the macroscopic fluctuation theory.

  1. A model of cellular dosimetry for macroscopic tumors in radiopharmaceutical therapy

    PubMed Central

    Hobbs, Robert F.; Baechler, Sébastien; Fu, De-Xue; Esaias, Caroline; Pomper, Martin G.; Ambinder, Richard F.; Sgouros, George

    2011-01-01

    Purpose: In the radiopharmaceutical therapy approach to the fight against cancer, in particular when it comes to translating laboratory results to the clinical setting, modeling has served as an invaluable tool for guidance and for understanding the processes operating at the cellular level and how these relate to macroscopic observables. Tumor control probability (TCP) is the dosimetric end point quantity of choice which relates to experimental and clinical data: it requires knowledge of individual cellular absorbed doses since it depends on the assessment of the treatment’s ability to kill each and every cell. Macroscopic tumors, seen in both clinical and experimental studies, contain too many cells to be modeled individually in Monte Carlo simulation; yet, in particular for low ratios of decays to cells, a cell-based model that does not smooth away statistical considerations associated with low activity is a necessity. The authors present here an adaptation of the simple sphere-based model from which cellular level dosimetry for macroscopic tumors and their end point quantities, such as TCP, may be extrapolated more reliably. Methods: Ten homogenous spheres representing tumors of different sizes were constructed in GEANT4. The radionuclide 131I was randomly allowed to decay for each model size and for seven different ratios of number of decays to number of cells, Nr: 1000, 500, 200, 100, 50, 20, and 10 decays per cell. The deposited energy was collected in radial bins and divided by the bin mass to obtain the average bin absorbed dose. To simulate a cellular model, the number of cells present in each bin was calculated and an absorbed dose attributed to each cell equal to the bin average absorbed dose with a randomly determined adjustment based on a Gaussian probability distribution with a width equal to the statistical uncertainty consistent with the ratio of decays to cells, i.e., equal to Nr-1∕2. From dose volume histograms the surviving fraction of cells

  2. 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. PMID:26059818

  3. 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.

  4. 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.

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

    NASA Astrophysics Data System (ADS)

    Madjarević, Damir; Ruggeri, Tommaso; Simić, Srboljub

    2014-10-01

    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).

  6. A Microscopic “Social Norm” Model to Obtain Realistic Macroscopic Velocity and Density Pedestrian Distributions

    PubMed Central

    Zanlungo, Francesco; Ikeda, Tetsushi; Kanda, Takayuki

    2012-01-01

    We propose a way to introduce in microscopic pedestrian models a “social norm” in collision avoiding and overtaking, i.e. the tendency, shared by pedestrians belonging to the same culture, to avoid collisions and perform overtaking in a preferred direction. The “social norm” is implemented, regardless of the specific collision avoiding model, as a rotation in the perceived velocity vector of the opponent at the moment of computation of the collision avoiding strategy, and justified as an expectation that the opponent will follow the same “social norm” (for example a tendency to avoid on the left and overtake on the right, as proposed in this work for Japanese pedestrians). By comparing with real world data, we show that the introduction of this norm allows for a better reproduction of macroscopic pedestrian density and velocity patterns. PMID:23227202

  7. 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)

  8. A macroscopic model for countercurrent gas-liquid flow in packed columns

    SciTech Connect

    Dankworth, D.C.; Sundaresan, S. )

    1989-08-01

    A macroscopic model based on the volume-averaged equations of motion is presented for countercurrent gas-liquid flow in a packed bed. The model yields a column-limited flooding point as the loss of existence of uniform states. It correctly predicts the existence of two uniform states below the flooding point. The lower branch corresponds to the trends commonly observed experimentally. It is shown that the upper branch is made unattainable by the gas distributor/support plate at the bottom of the column. The occurrence of premature flooding induced by the support plate is also explained. It is suggested that the occurrence of spontaneous liquid segregation, necessitating frequent liquid redistribution in columns with large dumped packings and porosities, is a consequence of the loss of stability of the uniform state in the lower branch.

  9. Multiphase Bioreaction Microsystem with Automated On-Chip Droplet Operation

    PubMed Central

    Wang, Fang; Burns, Mark A.

    2010-01-01

    A droplet-based bioreaction microsystem has been developed with automated droplet generation and confinement. On-chip electronic sensing is employed to track the position of the droplets by sensing the oil/aqueous interface in real time. The sensing signal is also used to control the pneumatic supply for moving as well as automatically generating four different nanoliter-sized droplets. The actual size of droplets is very close to the designed droplet size with a standard deviation less than 3% of the droplet size. The automated droplet generation can be completed in less than 2 sec, which is 5 times faster than using manual operation that takes at least 10 sec. Droplets can also be automatically confined in the reaction region with feedback pneumatic control and digital or analog sensing. As an example bioreaction, PCR has been successfully performed in the automated generated droplets. Although the amplification yield was slightly reduced with the droplet confinement, especially while using the analog sensing method, adding additional reagents effectively alleviated this inhibition. PMID:20445885

  10. Studying enzymatic bioreactions in a millisecond microfluidic flow mixer

    PubMed Central

    Buchegger, Wolfgang; Haller, Anna; van den Driesche, Sander; Kraft, Martin; Lendl, Bernhard; Vellekoop, Michael

    2012-01-01

    In this study, the pre-steady state development of enzymatic bioreactions using a microfluidic mixer is presented. To follow such reactions fast mixing of reagents (enzyme and substrate) is crucial. By using a highly efficient passive micromixer based on multilaminar flow, mixing times in the low millisecond range are reached. Four lamination layers in a shallow channel reduce the diffusion lengths to a few micrometers only, enabling very fast mixing. This was proven by confocal fluorescence measurements in the channel’s cross sectional area. Adjusting the overall flow rate in the 200 μm wide and 900 μm long mixing and observation channel makes it possible to investigate enzyme reactions over several seconds. Further, the device enables changing the enzyme/substrate ratio from 1:1 up to 3:1, while still providing high mixing efficiency, as shown for the enzymatic hydrolysis using β-galactosidase. This way, the early kinetics of the enzyme reaction at multiple enzyme/substrate concentrations can be collected in a very short time (minutes). The fast and easy handling of the mixing device makes it a very powerful and convenient instrument for millisecond temporal analysis of bioreactions. PMID:22662071

  11. 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

  12. A two-scale model for sheared fault gouge: Competition between macroscopic disorder and local viscoplasticity

    NASA Astrophysics Data System (ADS)

    Elbanna, A. E.; Carlson, J. M.

    2014-06-01

    We develop a model for sheared gouge layers that accounts for the local increase in temperature at the grain contacts during sliding. We use the shear transformation zone theory, a statistical thermodynamic theory, to describe irreversible macroscopic plastic deformations due to local rearrangements of the gouge particles. We track the temperature evolution at the grain contacts using a one-dimensional heat diffusion equation. At low temperatures, the strength of the asperities is limited by the flow strength, as predicted by dislocation creep models. At high temperatures, some of the constituents of the grains may melt leading to the degradation of the asperity strength. Our model predicts a logarithmic rate dependence of the steady state shear stress in the quasistatic regime. In the dense flow regime the frictional strength decreases rapidly with increasing slip rate due to thermal softening at the granular interfaces. The transient response following a step in strain rate includes a direct effect and a following evolution effect, both of which depend on the magnitude and direction of the velocity step. In addition to frictional heat, the energy budget includes an additional energy sink representing the fraction of external work consumed in increasing local disorder. The model links low-speed and high-speed frictional response of gouge layers and provides an essential ingredient for multiscale modeling of earthquake ruptures with enhanced coseismic weakening.

  13. Study of tissue oxygen supply rate in a macroscopic photodynamic therapy singlet oxygen model

    PubMed Central

    Zhu, Timothy C.; Liu, Baochang; Penjweini, Rozhin

    2015-01-01

    Abstract. An appropriate expression for the oxygen supply rate (Γs) is required for the macroscopic modeling of the complex mechanisms of photodynamic therapy (PDT). It is unrealistic to model the actual heterogeneous tumor microvascular networks coupled with the PDT processes because of the large computational requirement. In this study, a theoretical microscopic model based on uniformly distributed Krogh cylinders is used to calculate Γs=g (1−[O32]/[O32]0) that can replace the complex modeling of blood vasculature while maintaining a reasonable resemblance to reality; g is the maximum oxygen supply rate and [O32]/[O32]0 is the volume-average tissue oxygen concentration normalized to its value prior to PDT. The model incorporates kinetic equations of oxygen diffusion and convection within capillaries and oxygen saturation from oxyhemoglobin. Oxygen supply to the tissue is via diffusion from the uniformly distributed blood vessels. Oxygen can also diffuse along the radius and the longitudinal axis of the cylinder within tissue. The relations of Γs to [3O2]/[3O2]0 are examined for a biologically reasonable range of the physiological parameters for the microvasculature and several light fluence rates (ϕ). The results show a linear relationship between Γs and [3O2]/[3O2]0, independent of ϕ and photochemical parameters; the obtained g ranges from 0.4 to 1390  μM/s. PMID:25741665

  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. 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. PMID:19210171

  16. 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.

  17. 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.

  18. 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.

  19. Capturing non-equilibrium phenomena in rarefied polyatomic gases: A high-order macroscopic model

    NASA Astrophysics Data System (ADS)

    Rahimi, Behnam; Struchtrup, Henning

    2014-05-01

    A high-order macroscopic model for the accurate description of rarefied polyatomic gas flows is introduced based on a kinetic equation of Bhatnagar-Gross-Krook (BGK)-type, where the different energy exchange processes are accounted for by two collision terms. The order of magnitude method is applied to the primary moment equations to acquire the optimized moment definitions and the final scaled set of Grad's 36 moment equations for polyatomic gases. The two Knudsen numbers of the system are used for model reduction in terms of their powers, which yields a wide range of different reduced systems, a total of 13 different orders. These include, at lower order, a modification of the Navier-Stokes-Fourier (NSF) equations which shows considerable extended range of validity in comparison to the classical NSF equations. The highest order of accuracy considered gives a set of 18 regularized partial differential equations (PDEs) (R18). Attenuation and speed of linear waves are studied as the first application of the many sets of equations. For frequencies where the internal degrees of freedom are effectively frozen, the equations reproduce the behavior of monatomic gases.

  20. Quantification and macroscopic modeling of the nonlinear viscoelastic behavior of strained gels with varying fibrin concentrations.

    PubMed

    Benkherourou, M; Guméry, P Y; Tranqui, L; Tracqui, P

    2000-11-01

    The mechanical properties of fibrin gels under uniaxial strains have been analyzed for low fibrin concentrations using a free-floating gel device. We were able to quantify the viscous and elastic moduli of gels with fibrin concentration ranging from 0.5 to 3 mg/ml, reporting significant differences of biogels moduli and dynamical response according to fibrin concentration. Furthermore, considering sequences of successively imposed step strains has revealed the strain-hardening properties of fibrin gels for strain amplitude below 5%. This nonlinear viscoelastic behavior of the gels has been precisely analyzed through numerical simulations of the overall gel response to the strain steps sequences. Phenomenological power laws relating the instantaneous and relaxed elasticity moduli to fibrin concentration have been validated, with concentration exponent in the order of 1.2 and 1.0, respectively. This continuous description of strain-dependent mechanical moduli was then used to simulate the biogel behavior when continuously time-varying strains are applied. We discuss how this experimental setup and associated macroscopic modeling of fibrin gels enable a further quantification of cell traction forces and mechanotransduction processes induced by biogel compaction or stretching. PMID:11077740

  1. 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

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

    DOE PAGESBeta

    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 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

  3. 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.

  4. 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

    2016-07-01

    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.

  5. 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.

  6. 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.

  7. 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.

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

    PubMed

    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 ([(3)O2]), and light excitation at an appropriate wavelength, which results in production of reactive singlet oxygen ([(1)O2]rx). We use an empirical macroscopic model based on four photochemical parameters for the calculation of [(1)O2]rx threshold concentration ([(1)O2]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 [(1)O2]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 [(1)O2]rx,sh. We provide evidence that [(1)O2]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

  9. 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 ...

  10. Effects of “Aging” on Bioreactive Chemical Retention, Transformation, and Transport in Soil.

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The purpose of this paper is to illustrate how aging can affect the behavior of bioreactive chemicals in the soil. This paper will focus on the sorption process, which can directly or indirectly control transformation and transport processes. Most commonly, aging effects have been characterized by b...

  11. Effects of “aging” on bioreactive chemical retention, transformation, and transport in soil

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The purpose of this paper is to illustrate how aging can affect the behavior of bioreactive chemicals in the soil. This paper will focus on the sorption process, which can directly or indirectly control transformation and transport processes. Most commonly, aging effects have been characterized by b...

  12. Cardiac index assessment using bioreactance in patients undergoing cytoreductive surgery in ovarian carcinoma.

    PubMed

    Kober, David; Trepte, Constantin; Petzoldt, Martin; Nitzschke, Rainer; Herich, Lena; Reuter, Daniel A; Haas, Sebastian

    2013-12-01

    This clinical study compared the cardiac index (CI) assessed by the totally non-invasive method of bioreactance (CIBR) (NICOM™, Cheetah Medical, Vancouver, USA) to transpulmonary thermodilution (CITD) during cytoreductive surgery in ovarian carcinoma. The hypothesis was that CI could be assessed by bioreactance in an accurate and precise manner including accurate trending ability when compared to transpulmonary thermodilution. In 15 patients CIBR and CITD were assessed after induction of anesthesia, after opening of the peritoneum, hourly during the operative procedure, and 30 min after extubation. Trending ability was assessed between the described timepoints. In total 84 points of measurement were analyzed. Concordance correlation coefficient for repeated measures correlating the CIBR and CITD was 0.32. Bias was 0.26 l/min/m(2) (limits of agreement -1.39 and 1.92 l/min/m(2)). The percentage error was 50.7 %. Trending ability quantified by the mean of angles θ which are made by the ΔCI vector and the line of identity (y = x) showed a value for CIBR of θ = 23.4°. CI assessment by bioreactance showed acceptable accuracy and trending ability. However, its precision was poor. Therefore, CI measurement can not be solely based on bioreactance in patients undergoing cytoreductive surgery in ovarian carcinoma. PMID:23689837

  13. 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.

  14. Bioreactance Is Not Interchangeable with Thermodilution for Measuring Cardiac Output during Adult Liver Transplantation

    PubMed Central

    Han, Sangbin; Lee, Jong Hwan; Kim, Gaabsoo; Ko, Justin Sangwook; Choi, Soo Joo; Kwon, Ji Hae; Heo, Burn Young; Gwak, Mi Sook

    2015-01-01

    Background Thermodilution technique using a pulmonary artery catheter is widely used for the assessment of cardiac output (CO) in patients undergoing liver transplantation. However, the unclearness of the risk-benefit ratio of this method has led to an interest in less invasive modalities. Thus, we evaluated whether noninvasive bioreactance CO monitoring is interchangeable with thermodilution technique. Methods Nineteen recipients undergoing adult-to-adult living donor liver transplantation were enrolled in this prospective observational study. COs were recorded automatically by the two devices and compared simultaneously at 3-minute intervals. The Bland–Altman plot was used to evaluate the agreement between bioreactance and thermodilution. Clinically acceptable agreement was defined as a percentage error of limits of agreement <30%. The four quadrant plot was used to evaluate concordance between bioreactance and thermodilution. Clinically acceptable concordance was defined as a concordance rate >92%. Results A total of 2640 datasets were collected. The mean CO difference between the two techniques was 0.9 l/min, and the 95% limits of agreement were -3.5 l/min and 5.4 l/min with a percentage error of 53.9%. The percentage errors in the dissection, anhepatic, and reperfusion phase were 50.6%, 56.1%, and 53.5%, respectively. The concordance rate between the two techniques was 54.8%. Conclusion Bioreactance and thermodilution failed to show acceptable interchangeability in terms of both estimating CO and tracking CO changes in patients undergoing liver transplantation. Thus, the use of bioreactance as an alternative CO monitoring to thermodilution, in spite of its noninvasiveness, would be hard to recommend in these surgical patients. PMID:26017364

  15. 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.

  16. 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.

  17. 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

  18. 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.

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

    PubMed Central

    2013-01-01

    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. PMID:23870291

  20. Study of hydrogen isotopes behavior in tungsten by a multi trapping macroscopic rate equation model

    NASA Astrophysics Data System (ADS)

    Hodille, E. A.; Ferro, Y.; Fernandez, N.; Becquart, C. S.; Angot, T.; Layet, J. M.; Bisson, R.; Grisolia, C.

    2016-02-01

    Density functional theory (DFT) studies show that in tungsten a mono vacancy can contain up to six hydrogen isotopes (HIs) at 300 K with detrapping energies varying with the number of HIs in the vacancy. Using these predictions, a multi trapping rate equation model has been built and used to model thermal desorption spectrometry (TDS) experiments performed on single crystal tungsten after deuterium ions implantation. Detrapping energies obtained from the model to adjust temperature of TDS spectrum observed experimentally are in good agreement with DFT values within a deviation below 10%. The desorption spectrum as well as the diffusion of deuterium in the bulk are rationalized in light of the model results.

  1. 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. PMID:27209153

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

    NASA Astrophysics Data System (ADS)

    Chatterjee, Saikat; Chattopadhyay, Kinnor

    2016-07-01

    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.

  3. The Macroscopic Entrainment Processes of Simulated Cumulus Ensemble. Part II: Testing the Entraining-Plume Model.

    NASA Astrophysics Data System (ADS)

    Lin, Chichung; Arakawa, Akio

    1997-04-01

    According to Part I of this paper, it 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 the 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. However, for each cloud

  4. Studying Nuclear Level Densities of 238U in the Nuclear Reactions within the Macroscopic Nuclear Models

    NASA Astrophysics Data System (ADS)

    Razavi, Rohallah; Rahmatinejad, Azam; Kakavand, Tayeb; Taheri, Fariba; Aghajani, Maghsood; Khooy, Asghar

    2016-02-01

    In this work the nuclear level density parameters of 238U have been extracted in the back-shifted Fermi gas model (BSFGM), as well as the constant temperature model (CTM), through fitting with the recent experimental data on nuclear level densities measured by the Oslo group. The excitation functions for 238U(p,2nα)233Pa, and 238U(p,4n)235Np reactions and the fragment yields for the fragments of the 238U(p,f) reaction have been calculated using obtained level density parameters. The results are compared to their corresponding experimental values. It was found that the extracted excitation functions and the fragment yields in the CTM coincide well with the experimental values in the low-energy region. This finding is according to the claim made by the Oslo group that the extracted level densities of 238U show a constant temperature behaviour.

  5. Charge radii in macroscopic-microscopic mass models of reflection asymmetry

    SciTech Connect

    Iimura, H.; Buchinger, F.

    2008-12-15

    We show that the charge radii of reflection-asymmetric nuclei calculated in the frame of the finite-range droplet model are in better agreement with measured charge radii when reflection asymmetry is taken into account. However discrepancies between experimental and calculated changes in mean square charge radii still remain for some isotopic chains. These discrepancies cannot be removed by empirically including dynamic contributions to the quadrupole deformation.

  6. 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.

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

    DOE PAGESBeta

    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 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

  8. 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.

  9. Macroscopic limits of individual-based models for motile cell populations with volume exclusion.

    PubMed

    Dyson, Louise; Maini, Philip K; Baker, Ruth E

    2012-09-01

    Partial differential equation models are ubiquitous in studies of motile cell populations, giving a phenomenological description of events which can be analyzed and simulated using a wide range of existing tools. However, these models are seldom derived from individual cell behaviors and so it is difficult to accurately include biological hypotheses on this spatial scale. Moreover, studies which do attempt to link individual- and population-level behavior generally employ lattice-based frameworks in which the artifacts of lattice choice at the population level are unclear. In this work we derive limiting population-level descriptions of a motile cell population from an off-lattice, individual-based model (IBM) and investigate the effects of volume exclusion on the population-level dynamics. While motility with excluded volume in on-lattice IBMs can be accurately described by Fickian diffusion, we demonstrate that this is not the case off lattice. We show that the balance between two key parameters in the IBM (the distance moved in one step and the radius of an individual) determines whether volume exclusion results in enhanced or slowed diffusion. The magnitude of this effect is shown to increase with the number of cells and the rate of their movement. The method we describe is extendable to higher-dimensional and more complex systems and thereby provides a framework for deriving biologically realistic, continuum descriptions of motile populations. PMID:23030940

  10. 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. PMID:27138167

  11. Charge radii in macroscopic-microscopic mass models of axial asymmetry

    SciTech Connect

    Iimura, H.; Buchinger, F.

    2007-11-15

    We show that the charge radii of axially asymmetric nuclei calculated in the frame of the finite-range droplet model are in better agreement with measured charge radii when axial asymmetry is taken into account. This improvement is mainly the result of a new set of ground-state quadrupole deformations {beta}{sub 2}, generated when masses are calculated including axial asymmetry, and to a much lesser degree due to the inclusion of the axial asymmetry in the calculation of the charge radii itself.

  12. 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

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

    PubMed

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

    1994-10-01

    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

  14. Macroscopic orientation effects in broadline NMR-spectra of model membranes at high magnetic field strength

    PubMed Central

    Brumm, T.; Möps, A.; Dolainsky, C.; Brückner, S.; Bayerl, T. M.

    1992-01-01

    The partial orientation of multilamellar vesicles (MLV) in high magnetic fields has been studied and a method to prevent such effects is herewith proposed. The orientation effect was measured with 2H-, 31P-NMR and electron microscopy on MLVs of dipalmitoyl phosphatidylcholine with 30 mol% cholesterol. We present the first freeze—etch electron microscopy data obtained from MLV samples that were frozen directly in the NMR magnet at a field strength of 9.4 Tesla. These experiments clearly show that the MLVs adopt an ellipsoidal (but not a cylindrical) shape in the magnetic field. Best fit 31P-NMR lineshape calculations assuming an ellipsoidal distribution of molecular director axes to the experimentally obtained spectra provide a quantitative measure of the average semiaxis ratio of the ellipsoidal MLVs and its change with temperature. The application of so-called spherical supported vesicles (SSV) is found to prevent any partial orientation effects so that undistorted NMR powder pattern of the bilayer can be measured independently of magnetic field strength and temperature. The usefulness of SSVs is further demonstrated by a direct comparison of spectral data such as 31P-and 2H-NMR lineshapes and relaxation times as well as 2H-NMR dePaked spectra obtained for both model systems. These experiments show that spectral data obtained from partially oriented MLVs are not unambiguous to interpret, in particular, if an external parameter such as temperature is varied. ImagesFIGURE 1 PMID:19431822

  15. 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.

  16. Calcite surface structure and reactivity: molecular dynamics simulations and macroscopic surface modelling of the calcite-water interface.

    PubMed

    Wolthers, M; Di Tommaso, D; Du, Z; de Leeuw, N H

    2012-11-21

    Calcite-water interactions are important not only in carbon sequestration and the global carbon cycle, but also in contaminant behaviour in calcite-bearing host rock and in many industrial applications. Here we quantify the effect of variations in surface structure on calcite surface reactivity. Firstly, we employ classical Molecular Dynamics simulations of calcite surfaces containing an etch pit and a growth terrace, to show that the local environment in water around structurally different surface sites is distinct. In addition to observing the expected formation of more calcium-water interactions and hydrogen-bonds at lower-coordinated sites, we also observed subtle differences in hydrogen bonding around acute versus obtuse edges and corners. We subsequently used this information to refine the protonation constants for the calcite surface sites, according to the Charge Distribution MUltiSite Ion Complexation (CD-MUSIC) approach. The subtle differences in hydrogen bonding translate into markedly different charging behaviour versus pH, in particular for acute versus obtuse corner sites. The results show quantitatively that calcite surface reactivity is directly related to surface topography. The information obtained in this study is not only crucial for the improvement of existing macroscopic surface models of the reactivity of calcite towards contaminants, but also improves our atomic-level understanding of mineral-water interactions. PMID:23042085

  17. 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.

  18. Generation of sustained field potentials by gradients of polarization within single neurons: a macroscopic model of spreading depression.

    PubMed

    Makarova, Julia; Makarov, Valeri A; Herreras, Oscar

    2010-05-01

    Spreading depression (SD) is a pathological wave of depolarization of the neural tissue producing a negative macroscopic field potential (V(o)), used as a marker for diagnostic purposes. The cellular basis of SD and neuronal mechanisms of generation of V(o) at the microscopic level are poorly understood. Using a CA1 mathematical model and experimental verification, we examined how transmembrane currents in single cells scale up in the extracellular space shaping V(o). The model includes an array of 17,000 realistically modeled neurons (responsible for generating transmembrane currents) dynamically coupled to a virtual aggregate/extracellular space (responsible for V(o)). The SD wave in different tissue bands is simulated by imposing membrane shunts in the corresponding dendritic elements as suggested by experimentally assessed drop in membrane resistance. We show that strong isopotential depolarization of wide domains (as in the main SD phase) produce broad central cancellation of axial and transmembrane currents in single cells. When depolarization is restricted to narrow dendritic domains (as in the late SD phase), the internal cancellation shrinks and the transmembrane current increases. This explains why in the laminated CA1 the V(o) is smaller in the main phase of SD, when both dendritic layers are seized, than in the SD tail restricted to an apical band. Moreover, scattering of the neuronal somatas (as in cortical regions) further decreases the aggregate V(o) due to the volume averaging. Although mechanistically the V(o) associated to SD is similar to customary transient fields, its changes maybe related to spatial factors in single cells rather than cell number or depolarization strength. PMID:20220074

  19. A Multiscale Model Based On Intragranular Microstructure: Influence Of Grain-Scale Substructure On Macroscopic Behaviour Of An IF-Steel During Complex Load Paths

    SciTech Connect

    Franz, Gerald; Abed-Meraim, Farid; Berveiller, Marcel; Zineb, Tarak Ben; Lemoine, Xavier

    2007-05-17

    A microstructural model, based on Peeters' works, is implemented into a large strain self-consistent scheme, leading to the multiscale model which achieves, for each grain, the calculation of slip activity, with help of regularized formulation drawn from the visco-plasticity framework, and the dislocation microstructure evolution. This paper focuses on the relationship between macroscopic hardening/softening effects and induced microstructure during monotonic and two-stage strain paths.

  20. A Multiscale Model Based On Intragranular Microstructure: Influence Of Grain-Scale Substructure On Macroscopic Behaviour Of An IF-Steel During Complex Load Paths

    NASA Astrophysics Data System (ADS)

    Franz, Gérald; Abed-Meraim, Farid; Zineb, Tarak Ben; Lemoine, Xavier; Berveiller, Marcel

    2007-05-01

    A microstructural model, based on Peeters' works, is implemented into a large strain self-consistent scheme, leading to the multiscale model which achieves, for each grain, the calculation of slip activity, with help of regularized formulation drawn from the visco-plasticity framework, and the dislocation microstructure evolution. This paper focuses on the relationship between macroscopic hardening/softening effects and induced microstructure during monotonic and two-stage strain paths.

  1. Transition from Static to Dynamic Macroscopic Friction in the Framework of the Frenkel-Kontorova Model (aplication to Crustal Earthquake)

    NASA Astrophysics Data System (ADS)

    Gershenzon, N. I.; Bambakidis, G.

    2011-12-01

    A new generation of experiments on dry macroscopic friction [1-4] has revealed that the transition from static to dynamic friction is essentially a spatially and temporally nonuniform process, initiated by a rupture-like detachment front. We show the suitability of the Frenkel-Kontorova model for describing this transition. The model developed predicts the existence of two types of detachment fronts, explaining both the variability and abrupt change of the velocity observed in experiments. The quantitative relation obtained between the velocity of the detachment front and the ratio of shear to normal stress is consistent with experiments (see Figure 1). The model provides a functional dependence (algebraic relations) between slip velocity and shear stress, and predicts that slip velocity is independent of normal stress. Paradoxically transition from static to dynamic friction does not depend explicitly on both static and dynamic friction coefficients even so the beginning and termination of transition process are controlled by those coefficients. In the proposed model, friction occurs due to movement of a certain type of defect (i.e. a dislocation or slip pulse) nucleated on the frictional surfaces by the presence of asperities. This constitutes a fundamental distinction between our approach to macro-friction and the approaches of others such as the Burridge-Knopoff and rate-and-state types of models. The model is suitable to describe quantitatively the relations between kinematic and dynamic parameters of the rupture process during a crustal earthquake [5]. These relations will be demonstrated on 2004 Parkfield earthquake. [1] S. M. Rubinstein, G. Cohen, and J. Fineberg, Nature (London) 430, 1005 (2004) [2] S. M. Rubinstein, G. Cohen, and J. Fineberg, Phys. Rev. Lett. 98, 226103 (2007) [3] O. Ben-David, S.M. Rubinstein and J. Fineberg, Nature 463, 76 (2010) [4] O. Ben-David, G. Cohen, J. Fineberg, Science 330, 211 (2010), DOI: 10.1126/science.1194777 [5] N

  2. 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

    2016-03-01

    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.

  3. 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.

  4. 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. PMID:24580176

  5. 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.

  6. Constitutive model for flake graphite cast iron automotive brake discs: from macroscopic multiscale models to a 1D rheological description

    NASA Astrophysics Data System (ADS)

    Augustins, L.; Billardon, R.; Hild, F.

    2016-07-01

    One of the critical points of the thermomechanical fatigue design process is the correct description of the cyclic behavior of the material. This work focuses on the material of automotive brake discs, namely flake graphite cast iron. The specificity of this material is its asymmetric behavior under tensile and compressive loadings, which is due to the shape of graphite that acts as small cracks. Multiscale models inspired from the literature are first presented. They lead to a good description of the material behavior under cyclic loadings. An elastoviscoplastic constitutive model is then proposed in a one-dimensional setting in order to accurately describe cyclic tests from room temperature up to {600^{circ}{C}}.

  7. Micro-macroscopic coupled modeling of batteries and fuel cells. 2: Application to nickel-cadmium and nickel-metal hydride cells

    SciTech Connect

    Gu, W.B.; Wang, C.Y.; Liaw, B.Y.

    1998-10-01

    The micro-macroscopic coupled model developed in a companion paper is applied to predict the discharge and charge behaviors of nickel-cadmium (Ni-Cd) and nickel-metal hydride (Ni-MH) cells. The model integrates important microscopic phenomena such as proton or hydrogen diffusion and conduction of electrons in active materials into the macroscopic calculations of species and charge transfer. Simulation results for a full Ni-Cd cell and single MH electrode are presented and validated against the pseudo two-dimensional numerical model in the literature. In good agreement with the previous results, the present family of models is computationally more efficient and is particularly suitable for simulations of complex test conditions, such as the dynamic stress test and pulse charging for electric vehicles. In addition, a mathematical model for full Ni-MH cells is presented and sample simulations are performed for discharge and recharge with oxygen generation and recombination taken into account. These gas reactions represent an important mechanism for battery overcharge in the electric vehicle application.

  8. [Individual particle morphology and bioreactivity of PM10 in Beijing during the 2008 Olympic Games].

    PubMed

    Shao, Long-yi; Song, Xiao-yan; Liu, Jun-xia; Zhou, Lin

    2009-12-01

    Inhalable particulates, including PM10 and PM2.5, were collected on the campus of China University of Mining and Technology during the Summer Olympic Games of Beijing in 2008. The mass concentrations of PM10 and PM2.5 were monitored. The morphology and size distribution of individual particles in PM10 and PM2.5 were investigated by a high-resolution Field Emission Scanning Electron Microscopy (FESEM) and image analysis (IA). The toxicity reflected by bioreactivity of PM10 during the Olympic Games was also studied by Plasmid DNA assay. The results showed that the mass levels of PM10 and PM2.5 were well below 81.6 microg x m(-3) and 54.6 microg x m(-3), meeting the second ambient air quality standard of China. The ratio of PM2.5 and PM10 was averaged 0.63, indicating that the PM10 is dominated by fine particles. In terms of microscopic morphology, four types of particles were identified, including spherical particles, soot aggregates, minerals and unresolved fine particles, with the spherical particles and unresolved particles being the predominant components. Most PM10 and PM2.5 particles were in the size range of 0.1-0.4 microm, displaying a unimodal pattern. Volume-size distribution of PM10 exhibited a bimodal pattern with the peaks in 0.4-0.5 pm and 1-2.5 microm, and PM2.5 particles were mainly concentrated in the range of 1-2.5 microm. The results from plasmid assay showed that the bioreactivity of PM10 during the Olympic games was obviously lower than those of past summers, with the TD20 (toxic dosage of PM10 causing 20% plasmid DNA damage) being higher than those of the past summers. PMID:20187370

  9. 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

  10. 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.

  11. 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

  12. Microscopic and macroscopic dynamics

    SciTech Connect

    Hoover, W.G.; Hoover, C.G.; De Groot, A.J.; Pierce, T.G. |

    1993-06-01

    Atomistic Molecular Dynamics and Lagrangian Continuum Mechanics can be very similarly adapted to massively-parallel computers. Millions of degrees of freedom can be treated. The two complementary approaches, microscopic and macroscopic, are being applied to increasingly realistic flows of fluids and solids. The two approaches can also be combined in a hybrid simulation scheme. Hybrids combine the fundamental constitutive advantage of atoms with the size advantage of the continuum picture.

  13. Bioreactance: a new tool for cardiac output and thoracic fluid content monitoring during hemodialysis.

    PubMed

    Kossari, Niloufar; Hufnagel, Gilles; Squara, Pierre

    2009-10-01

    Outpatient hemodialysis therapy (HD) can be associated with hemodynamic compromise. Bioreactance has recently been shown to provide accurate, noninvasive, continuous, measurements of cardiac output (CO) and thoracic impedance (Zo) from which thoracic fluid content (TFC) can be derived assuming TFC=1000/Zo. This study was designed to evaluate the changes in TFC in comparison with the traditional indices of fluid removal (FR) and to understand the trends in CO changes in HD patients. Minute-by-minute changes in TFC and CO were prospectively collected using the bioreactance system (NICOM) in HD patients of a single unit. Changes in body weight (DeltaW), hematocrit (DeltaHct), and amount of FR were also measured. Twenty-five patients (age 77 +/- 11 years) were included. The TFC decreased in all patients by an average of 5.4 +/- 7.9 kohm(-1), weight decreased by 1.48 +/- 0.98 kg, and FR averaged 2.07 +/- 1.93 L over a 3- to 4-hour HD session. There were good correlations between DeltaTFC and DeltaW (R=0.80, P<0.0001) and FR (R=0.85, P<0.0001). DeltaHct (4.13 +/- 3.42%) was poorly correlated with DeltaTFC (R=0.35, P=0.12) and FR (R=0.40, P=0.07). The regression line between FR and TFC yielded FR=1.0024-0.1985TFC; thus, a 1 kohm(-1) change of Zo correlates with an approximately 200 mL change in total body water. The change in CO (-0.52 +/- 0.49 L/min m(2)) during HD did not correlate with FR (R=0.15, P=NS). Changes in TFC represented the monitored variable most closely related to FR. CO remained fairly constant in this stable patient cohort. Further studies in high-risk patients are warranted to understand whether TFC and CO monitoring can improve HD session management. PMID:19758300

  14. 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.

  15. 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.

  16. 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

  17. 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.

  18. Evaluation of solid polymeric organic materials for use in bioreactive sediment capping to stimulate the degradation of chlorinated aliphatic hydrocarbons.

    PubMed

    Atashgahi, Siavash; Maphosa, Farai; De Vrieze, Jo; Haest, Pieter Jan; Boon, Nico; Smidt, Hauke; Springael, Dirk; Dejonghe, Winnie

    2014-03-01

    In situ bioreactive capping is a promising technology for mitigation of surface water contamination by discharging polluted groundwater. Organohalide respiration (OHR) of chlorinated ethenes in bioreactive caps can be stimulated through incorporation of solid polymeric organic materials (SPOMs) that provide a sustainable electron source for organohalide respiring bacteria. In this study, wood chips, hay, straw, tree bark and shrimp waste, were assessed for their long term applicability as an electron donor for OHR of cis-dichloroethene (cDCE) and vinyl chloride (VC) in sediment microcosms. The initial release of fermentation products, such as acetate, propionate and butyrate led to the onset of extensive methane production especially in microcosms amended with shrimp waste, straw and hay, while no considerable stimulation of VC dechlorination was obtained in any of the SPOM amended microcosms. However, in the longer term, short chain fatty acids accumulation decreased as well as methanogenesis, whereas high dechlorination rates of VC and cDCE were established with concomitant increase of Dehalococcoides mccartyi and vcrA and bvcA gene numbers both in the sediment and on the SPOMs. A numeric simulation indicated that a capping layer of 40 cm with hay, straw, tree bark or shrimp waste is suffice to reduce the groundwater VC concentration below the threshold level of 5 μg/l before discharging into the Zenne River, Belgium. Of all SPOMs, the persistent colonization of tree bark by D. mccartyi combined with the lowest stimulation of methanogenesis singled out tree bark as a long-term electron donor for OHR of cDCE/VC in bioreactive caps. PMID:23955471

  19. 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

  20. 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

  1. 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

  2. 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.

  3. 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. PMID:27626630

  4. 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. PMID:21872393

  5. 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. PMID:21533072

  6. 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

  7. Macroscopic impacts of cloud and precipitation processes on maritime shallow convection as simulated by a large eddy simulation model with bin microphysics

    NASA Astrophysics Data System (ADS)

    Grabowski, W. W.; Wang, L.-P.; Prabha, T. V.

    2015-01-01

    This paper discusses impacts of cloud and precipitation processes on macrophysical properties of shallow convective clouds as simulated by a large eddy model applying warm-rain bin microphysics. Simulations with and without collision-coalescence are considered with cloud condensation nuclei (CCN) concentrations of 30, 60, 120, and 240 mg-1. Simulations with collision-coalescence include either the standard gravitational collision kernel or a novel kernel that includes enhancements due to the small-scale cloud turbulence. Simulations with droplet collisions were discussed in Wyszogrodzki et al. (2013) focusing on the impact of the turbulent collision kernel. The current paper expands that analysis and puts model results in the context of previous studies. Despite a significant increase of the drizzle/rain with the decrease of CCN concentration, enhanced by the effects of the small-scale turbulence, impacts on the macroscopic cloud field characteristics are relatively minor. Model results show a systematic shift in the cloud-top height distributions, with an increasing contribution of deeper clouds for stronger precipitating cases. We show that this is consistent with the explanation suggested in Wyszogrodzki et al. (2013); namely, the increase of drizzle/rain leads to a more efficient condensate offloading in the upper parts of the cloud field. A second effect involves suppression of the cloud droplet evaporation near cloud edges in low-CCN simulations, as documented in previous studies (e.g., Xue and Feingold, 2006). We pose the question whether the effects of cloud turbulence on drizzle/rain formation in shallow cumuli can be corroborated by remote sensing observations, for instance, from space. Although a clear signal is extracted from model results, we argue that the answer is negative due to uncertainties caused by the temporal variability of the shallow convective cloud field, sampling and spatial resolution of the satellite data, and overall accuracy of

  8. Transient Macroscopic Chemistry in the DSMC Method

    NASA Astrophysics Data System (ADS)

    Goldsworthy, M. J.; Macrossan, M. N.; Abdel-Jawad, M.

    2008-12-01

    In the Direct Simulation Monte Carlo method, a combination of statistical and deterministic procedures applied to a finite number of `simulator' particles are used to model rarefied gas-kinetic processes. Traditionally, chemical reactions are modelled using information from specific colliding particle pairs. In the Macroscopic Chemistry Method (MCM), the reactions are decoupled from the specific particle pairs selected for collisions. Information from all of the particles within a cell is used to determine a reaction rate coefficient for that cell. MCM has previously been applied to steady flow DSMC simulations. Here we show how MCM can be used to model chemical kinetics in DSMC simulations of unsteady flow. Results are compared with a collision-based chemistry procedure for two binary reactions in a 1-D unsteady shock-expansion tube simulation and during the unsteady development of 2-D flow through a cavity. For the shock tube simulation, close agreement is demonstrated between the two methods for instantaneous, ensemble-averaged profiles of temperature and species mole fractions. For the cavity flow, a high degree of thermal non-equilibrium is present and non-equilibrium reaction rate correction factors are employed in MCM. Very close agreement is demonstrated for ensemble averaged mole fraction contours predicted by the particle and macroscopic methods at three different flow-times. A comparison of the accumulated number of net reactions per cell shows that both methods compute identical numbers of reaction events. For the 2-D flow, MCM required similar CPU and memory resources to the particle chemistry method. The Macroscopic Chemistry Method is applicable to any general DSMC code using any viscosity or non-reacting collision models and any non-reacting energy exchange models. MCM can be used to implement any reaction rate formulations, whether these be from experimental or theoretical studies.

  9. Variations in the source, metal content and bioreactivity of technogenic aerosols: a case study from Port Talbot, Wales, UK.

    PubMed

    Moreno, Teresa; Merolla, Luciano; Gibbons, Wes; Greenwell, Leona; Jones, Tim; Richards, Roy

    2004-10-15

    is the most bioreactive (both whole and soluble) and the soluble fraction of the metal-depleted NW sample is the least bioreactive. The metal content of the aerosol samples, especially soluble metals such as Zn, is suggested to be the primary component responsible for oxidative damage of the DNA, and therefore most implicated in any health effects arising from the inhalation of these particulate cocktails. PMID:15364519

  10. Dip-pen nanolithography on (bio)reactive monolayer and block-copolymer platforms: deposition of lines of single macromolecules.

    PubMed

    Salazar, Ramon B; Shovsky, Alexander; Schönherr, Holger; Vancso, G Julius

    2006-11-01

    The application of atomic force microscopy (AFM) tip-mediated molecular transfer (dip-pen nanolithography or DPN) to fabricate nanopatterned (bio)reactive platforms based on dendrimers on reactive self-assembled monolayer (SAM) and polymer thin films is discussed. The transfer of high-molar-mass polyamidoamine (PAMAM) dendrimers (generation 5) and the rapid in situ covalent attachment of the deposited adsorbates onto reactive N-hydroxysuccinimide (NHS) terminated SAMs on gold and NHS-activated polystyrene-block-poly(tert-butyl acrylate) (PS(690)-b-PtBA(1210)) block copolymer thin films were investigated as strategies to suppress line broadening by surface diffusion in DPN. By exploiting carefully controlled environmental conditions (such as temperature and relative humidity), scan rates, and in particular the covalent attachment of the dendrimers to the reactive films, the observed line broadening and hence the lateral diffusion of dendrimers was substantially less pronounced compared to that observed with DPN of thiols on gold. By this method, high-definition patterns of dendrimers were conveniently fabricated down to 30-nm length scales. The presence of primary amino groups in the deposited dendrimers ultimately offers the possibility to anchor biochemically relevant molecules, such as proteins and polypeptides, to these nanostructured platforms for a wide range of possible applications in the life sciences and in particular for the investigation of controlled cell-surface interactions. PMID:17192974

  11. 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. PMID:26994327

  12. Nitrogen reduction using bioreactive thin-layer capping (BTC) with biozeolite: A field experiment in a eutrophic river.

    PubMed

    Zhou, Zhenming; Huang, Tinglin; Yuan, Baoling

    2016-04-01

    Bioreactive thin-layer capping (BTC) with biozeolite provides a potential remediation design that can sustainably treat N contamination from sediment and overlying water in eutrophic water bodies. Nitrogen (N) reduction using BTC with biozeolite was examined in a field incubation experiment in a eutrophic river in Yangzhou, Jiangsu Province, China. The biozeolite was zeolite with attached bacteria, including two isolated heterotrophic nitrifiers (Bacillus spp.) and two isolated aerobic denitrifiers (Acinetobacter spp.). The results showed that the total nitrogen (TN) reduction efficiency of the overlying water by BTC with biozeolite (with thickness of about 2mm) reached a maximum (56.69%) at day 34, and simultaneous heterotrophic nitrification and aerobic denitrification occurred in the BTC system until day 34. There was a significant difference in the TN concentrations of the overlying water between biozeolite capping and control (t-test; p<0.05). The biozeolite had very strong in situ bioregeneration ability. Carbon was the main source of nitrifier growth. However, both dissolved oxygen (DO) and carbon concentrations affected denitrifier growth. In particular, DO concentrations greater than 3mg/L inhibited denitrifier growth. Therefore, BTC with biozeolite was found to be a feasible technique to reduce N in a eutrophic river. However, it is necessary to further strengthen the adaptability of aerobic denitrifiers through changing domestication methods or conditions. PMID:27090702

  13. Optimal Estimation of Ion-Channel Kinetics from Macroscopic Currents

    PubMed Central

    Zeng, Xuhui; Yao, Jing; Yuchi, Ming; Ding, Jiuping

    2012-01-01

    Markov modeling provides an effective approach for modeling ion channel kinetics. There are several search algorithms for global fitting of macroscopic or single-channel currents across different experimental conditions. Here we present a particle swarm optimization(PSO)-based approach which, when used in combination with golden section search (GSS), can fit macroscopic voltage responses with a high degree of accuracy (errors within 1%) and reasonable amount of calculation time (less than 10 hours for 20 free parameters) on a desktop computer. We also describe a method for initial value estimation of the model parameters, which appears to favor identification of global optimum and can further reduce the computational cost. The PSO-GSS algorithm is applicable for kinetic models of arbitrary topology and size and compatible with common stimulation protocols, which provides a convenient approach for establishing kinetic models at the macroscopic level. PMID:22536358

  14. 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.

  15. Macroscopic theory for capillary-pressure hysteresis.

    PubMed

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

    2015-03-01

    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. PMID:25646688

  16. Peak Cardiac Power Measured Non-Invasively with a Bioreactance Technique is a Predictor of Adverse Outcomes in Patients with Advanced Heart Failure

    PubMed Central

    Rosenblum, Hannah; Helmke, Stephen; Williams, Paula; Teruya, Sergio; Jones, Margaret; Burkhoff, Daniel; Mancini, Donna; Maurer, Mathew S.

    2010-01-01

    Summary Background Peak oxygen consumption (VO2) during cardiopulmonary exercise testing (CPET) is a powerful predictor of survival, providing an indirect assessment of cardiac output (CO). Hypothesis Non-invasive indices of CO derived from bioreactance methodology would add significantly to peak VO2 as a means of risk stratifying patients with heart failure. Methods 127 patients (53±14 years of age, 66% male) with heart failure and an average EF = 31±15 underwent a symptom-limited CPET using a bicycle ergometer while measuring CO noninvasively by a bioreactance technique. Peak cardiac power was derived from the product of the peak mean arterial blood pressure and CO divided by 451. Results Follow-up averaged 404±179 days (median, 366 days) to assess end points including death (n=3), heart transplant (n=10), or left ventricular assisted device (LVAD) implantation (n=2). Peak VO2 and peak power had similar area under the curves (0.77 and 0.76), which increased to 0.83 when combined. Kaplan-Meier cumulative survival curves demonstrated different outcomes in the subgroup with a VO2 <14 ml*kg-1*min-1 when stratified by a cardiac power above or below 1.5 Watts (92.2% vs. 82.1% at 1 year and 81.6% vs. 58.3% at last follow-up, p=0.02 by log-rank test). Conclusions Among patients with heart failure, peak cardiac power measured with bioreactance methodology and peak VO2 had similar associations with adverse outcomes and peak power added independent prognostic information to peak VO2 in subjects with advanced disease (e.g. VO2 < 14 ml*kg-1*min-1). PMID:21091609

  17. A surface-plasmon resonance phase modulation bio-reaction detection system with (5,1) phase-shifting algorithm

    NASA Astrophysics Data System (ADS)

    Chen, Yi-Hung; Lee, Shu-Sheng; Hsu, I.-Hung; Tseng, Eddie; Lee, Chih-Kung

    2007-12-01

    Surface plasmon resonance (SPR) is a very important metrology in biology detection. Phase modulation is one of the SPR detection technologies and the sample changes can be recognized from the phase variation. It is able to detect very tiny bio sample variation due to its high sensitivity. In this study, the optical system design based on a paraboloidal lens-based surface plasmon resonance instrument will be used to control the SPR critical angle. The charge coupled device camera (CCD camera) will be used to record the images of the bio-reaction and (5,1) phase-shifting algorithm will be adopted to retrieve the phase fringes of the whole spot from the intensity maps. The combination of the angle control SPR system and the (5,1) phase-shifting algorithm will expand the whole spot detection ability from the intensity to phase modulation because the intensity maps are going to be recorded for the (5,1) phase-shifting algorithm calculation. The difference between (5,1) phase-shifting algorithm and Five-Step Algorithm1 is that (5,1) phase-shifting algorithm only needs one image map at one time during the bio reaction and Five-Step Algorithm requires five image maps. Therefore, (5,1) phase-shifting algorithm will reduce the process of experiment and the requirement of the memory. The different concentration alcohols were measured by the optical system to verify the (5,1) phase-shifting algorithm applied in SPR phase modulation measurement and to prove the idea is workable and successful.

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

    PubMed

    Goode, Angela E; 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; Porter, Alexandra E

    2015-11-01

    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 MWNTs, 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 h 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 h. 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

  19. 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

  20. Deterministic Creation of Macroscopic Cat States.

    PubMed

    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

  1. 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

  2. Macroscopic definition of distributed swarm morphogenesis

    NASA Astrophysics Data System (ADS)

    Aznar, Fidel; Pujol, Mar; Rizo, Ramón

    2012-12-01

    In this paper, we present a system that will be able to obtain microscopic assembly behaviours for a robotic swarm to achieve an assembly target (macroscopic model). It will be designed taking into consideration the essential features of a self-assembling system needed to be implemented in a real robotic swarm. This system is composed of a typology of generative languages PD0L, and an algorithm for generating individual rules to be processed by the robots. The assembly process will be performed in a distributed manner, and will be also designed to require minimal communication capabilities between robots. Both the expressive capacities of language and the rule generation algorithm will be demonstrated by evaluating their performance with a core set of test morphologies widely used in self-assembly tasks. Furthermore, we compare the assembly time and the number of messages required between a classic controller (centralised) and our distributed approach.

  3. 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

  4. Atomistic Simulation of the Transition from Atomistic to Macroscopic Cratering

    SciTech Connect

    Samela, Juha; Nordlund, Kai

    2008-07-11

    Using large-scale atomistic simulations, we show that the macroscopic cratering behavior emerges for projectile impacts on Au at projectile sizes between 1000 and 10 000 Au atoms at impact velocities comparable to typical meteoroid velocities. In this size regime, we detect a compression of material in Au nanoparticle impacts similar to that observed for hypervelocity macroscopic impacts. The simulated crater volumes agree with the values calculated using the macroscopic crater size scaling law, in spite of a downwards extrapolation over more than 15 orders of magnitude in terms of the impactor volume. The result demonstrates that atomistic simulations can be used as a tool to understand the strength properties of materials in cases where only continuum models have been possible before.

  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. 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.

  7. Microtomography of macroscopic snow samples

    NASA Astrophysics Data System (ADS)

    Matzl, M.; Schneebeli, M.; Steinfeld, D.; Steiner, S.; Heggli, M.

    2010-12-01

    During the last 10 years X-ray microtomography (micro-CT) has proved to be the first successful method to measure the true three-dimensional (3-D) structure of snow on the ground. Micro-CT is used to reconstruct 3-D microstructures as a source for numerical simulations, to conduct long-term observations of metamorphism or the behavior of snow under stress and to derive macroscopic parameters describing the microstructure of snow like specific surface area or density. However, micro-CT was confined to small samples with a typically evaluated size of 5 x 5 x 5 mm3. One reason for the small size was the limited computational power, the other the sample preparation. Based on the replica method for 3-D micro-CT samples introduced by Heggli et al. (2009), we are now able to visualize snow samples up to 70 mm height, and about 10 mm diameter, with a resolution of 10 μm. Because inclusion of small air bubbles during the casting process can not be avoided, we make two scans, one before and one after sublimation, the two scans are then registered and subtracted. After image segmentation and morphological image processing the replica can be analysed in the same way as direct snow measurements. Based on such samples, we imaged highly fragile snow samples, like new snow, buried surface hoar and other weak layers. The samples show a fascinating new image of how complex snow layers are. Most samples show strong density gradients within a structurally similar layer. We think that this technique will improve our understanding of snow metamorphism and snow properties. Heggli, M.; Frei, E.; Schneebeli, M., 2009: Instruments and Methods. Snow Replica method for three-dimensional X-ray microtomographic imaging. J. Glaciol. 55, 192: 631-639.

  8. 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

  9. 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.

  10. Effect of the plasmid-DNA vaccination on macroscopic and microscopic damage caused by the experimental chronic Trypanosoma cruzi infection in the canine model.

    PubMed

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

  11. 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

  12. Thermodynamics of Bioreactions.

    PubMed

    Held, Christoph; Sadowski, Gabriele

    2016-06-01

    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. PMID:27276551

  13. Equilibrium Macroscopic Structure Revisited from Spatial Constraint

    NASA Astrophysics Data System (ADS)

    Yuge, Koretaka

    2016-02-01

    In classical systems, we reexamine how macroscopic structures in equilibrium state connect with spatial constraint on the systems. For example, volume and density as the constraint for liquids in rigid box, and crystal lattice as the constraint for crystalline solids. We find that in disordered states, equilibrium macroscopic structure, depending on temperature and on multibody interactions in the system, can be well characterized by a single special microscopic structure independent of temperature and of interactions. The special microscopic structure depends only on the spatial constraint. We demonstrate the present findings providing (i) significantly efficient and systematic prediction of macroscopic structures for possible combination of constituents in multicomponent systems using first-principles calculations, and (ii) unique and accurate prediction of multibody interactions in given system from measured macroscopic structure, without performing trial-and-error simulation.

  14. Macroscopic strings and ``quirks'' at colliders

    NASA Astrophysics Data System (ADS)

    Kang, Junhai; Luty, Markus A.

    2009-11-01

    We consider extensions of the standard model containing additional heavy particles (``quirks'') charged under a new unbroken non-abelian gauge group as well as the standard model. We assume that the quirk mass m is in the phenomenologically interesting range 100 GeV-TeV, and that the new gauge group gets strong at a scale Λ < m. In this case breaking of strings is exponentially suppressed, and quirk production results in strings that are long compared to Λ-1. The existence of these long stable strings leads to highly exotic events at colliders. For 100 eV lsimΛ <~ keV the strings are macroscopic, giving rise to events with two separated quirk tracks with measurable curvature toward each other due to the string interaction. For keV <~ Λ <~ MeV the typical strings are mesoscopic: too small to resolve in the detector, but large compared to atomic scales. In this case, the bound state appears as a single particle, but its mass is the invariant mass of a quirk pair, which has an event-by-event distribution. For MeV <~ Λ <~ m, the strings are microscopic, and the quirks annihilate promptly within the detector. For colored quirks, this can lead to hadronic fireball events with ~ 103 hadrons with energy of order GeV emitted in conjunction with hard decay products from the final annihilation.

  15. 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.

  16. 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.

  17. 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

  18. µPIV Applied to Macroscopic Flows

    NASA Astrophysics Data System (ADS)

    Lindken, Ralph; Westerweel, Jerry

    2001-11-01

    In most technological and industrial applications the flow is characterized by a high Reynolds number. Current turbulence models are not tested under high Re number flow conditions. For that purpose we plan to measure various flows at very high Re numbers in a high-pressure wind tunnel. At high pressure the turbulent scales become very small in the order of 10 to 30 µm. The subject of this talk is the development of a measuring device that is able to resolve 10 µm scales in a 0.5 x 0.5 m2 measuring section. We use a µPIV system with a working distance of 0.3 to 1.0 m. The µPIV system consists of a 200 mJ Nd:YAG laser, a 1k x 1.3k double shutter CCD-camera and a long distance microscope. The system is tested in a highly turbulent pipe flow and a turbulent jet flow. Extra effort is necessary for guiding the laser light to the measuring area and to determine high seeding quality. Particles in various sizes from 270 nm to 1.5 µm are tested. Two problems arise: Non-uniform seeding with nm-particles in a large wind tunnel and the costs for a large amount of tracer particles in a macroscopic flow. Measurements in the high-pressure wind tunnel at the DLR in Göttingen, Germany are planned.

  19. Macroscopic entanglement of many-magnon states

    SciTech Connect

    Morimae, Tomoyuki; Shimizu, Akira; Sugita, Ayumu

    2005-03-01

    We study macroscopic entanglement of various pure states of a one-dimensional N-spin system with N>>1. Here, a quantum state is said to be macroscopically entangled if it is a superposition of macroscopically distinct states. To judge whether such superposition is hidden in a general state, we use an essentially unique index p: A pure state is macroscopically entangled if p=2, whereas it may be entangled but not macroscopically if p<2. This index is directly related to fundamental stabilities of many-body states. We calculate the index p for various states in which magnons are excited with various densities and wave numbers. We find macroscopically entangled states (p=2) as well as states with p=1. The former states are unstable in the sense that they are unstable against some local measurements. On the other hand, the latter states are stable in the senses that they are stable against any local measurements and that their decoherence rates never exceed O(N) in any weak classical noises. For comparison, we also calculate the von Neumann entropy S{sub N/2}(N) of a subsystem composed of N/2 spins as a measure of bipartite entanglement. We find that S{sub N/2}(N) of some states with p=1 is of the same order of magnitude as the maximum value N/2. On the other hand, S{sub N/2}(N) of the macroscopically entangled states with p=2 is as small as O(log N)<

  20. Macroscopic impacts of cloud and precipitation processes in shallow convection

    NASA Astrophysics Data System (ADS)

    Grabowski, Wojciech; Slawinska, Joanna; Pawlowska, Hanna; Wyszogrodzki, Andrzej

    2011-12-01

    This paper presents application of the EULAG model combined with a sophisticated double-moment warm-rain microphysics scheme to the model intercomparison case based on RICO (Rain in Cumulus over Ocean) field observations. As the simulations progress, the cloud field gradually deepens and a relatively sharp temperature and moisture inversions develop in the lower troposphere. Two contrasting aerosol environments are considered, referred to as pristine and polluted, together with two contrasting subgridscale mixing scenarios, the homogeneous and the extremely inhomogeneous mixing. Pristine and polluted environments feature mean cloud droplet concentrations around 40 and 150 mg-1, respectively, and large differences in the rain characteristics. Various measures are used to contrast evolution of macroscopic cloud field characteristics, such as the mean cloud fraction, the mean cloud width, or the height of the center of mass of the cloud field, among others. Macroscopic characteristics appear similar regardless of the aerosol characteristics or the homogeneity of the subgrid-scale mixing.

  1. 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.

  2. Nanoplasmon-enabled macroscopic thermal management

    NASA Astrophysics Data System (ADS)

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

    2014-05-01

    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.

  3. Macroscopic dynamics of polar nematic liquid crystals.

    PubMed

    Brand, Helmut R; Pleiner, Harald; Ziebert, Falko

    2006-08-01

    We present the macroscopic equations for polar nematic liquid crystals. We consider the case where one has both, the usual nematic director, n[over ] , characterizing quadrupolar order as well as the macroscopic polarization, P , representing polar order, but where their directions coincide and are rigidly coupled. In this case one has to choose P as the independent macroscopic variable. Such equations are expected to be relevant in connection with nematic phases with unusual properties found recently in compounds composed of banana-shaped molecules. Among the effects predicted, which are absent in conventional nematic liquid crystals showing only quadrupolar order, are pyro-electricity and its analogs for density and for concentration in mixtures as well as a flow alignment behavior, which is more complex than in usual low molecular weight nematics. We also discuss the formation of defect structures expected in such systems. PMID:17025458

  4. 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

  5. Macroscopic response and directional disorder dynamics in chemically substituted ferroelectrics

    NASA Astrophysics Data System (ADS)

    Parravicini, Jacopo; DelRe, Eugenio; Agranat, Aharon J.; Parravicini, Gianbattista

    2016-03-01

    Using temperature-resolved dielectric spectroscopy in the range 25-320 K we investigate the macroscopic response, phase symmetry, and order/disorder states in bulk ferroelectric K1-yLiyTa1-xNbx (KLTN). Four long-range symmetry phases are identified with their relative transitions. Directional analysis of the order/disorder states using Fröhlich entropy indicates global symmetry breaking along the growth axis and an anisotropic dipolar effective thermodynamic behavior, which ranges from disordered to ordered at the same temperature for different directions in the sample. Results indicate that the macroscopic polarization, driven by nanosized polar regions, follows a microscopic perovskite eight-sites lattice model.

  6. 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. PMID:25019705

  7. Macroscopic response in active nonlinear photonic crystals.

    PubMed

    Alagappan, Gandhi; John, Sajeev; Li, Er Ping

    2013-09-15

    We derive macroscopic equations of motion for the slowly varying electric field amplitude in three-dimensional active nonlinear optical nanostructures. We show that the microscopic Maxwell equations and polarization dynamics can be simplified to a macroscopic one-dimensional problem in the direction of group velocity. For a three-level active material, we derive the steady-state equations for normal mode frequency, threshold pumping, nonlinear Bloch mode amplitude, and lasing in photonic crystals. Our analytical results accurately recapture the results of exact numerical methods. PMID:24104802

  8. Macroscopic Quantum Superposition in Cavity Optomechanics.

    PubMed

    Liao, Jie-Qiao; Tian, Lin

    2016-04-22

    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. PMID:27152802

  9. 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.

  10. 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. PMID:26698776

  11. Entangling Macroscopic Diamonds at Room Temperature

    NASA Astrophysics Data System (ADS)

    Lee, K. C.; Sprague, M. R.; Sussman, B. J.; Nunn, J.; Langford, N. K.; Jin, X.-M.; Champion, T.; Michelberger, P.; Reim, K. F.; England, D.; Jaksch, D.; Walmsley, I. A.

    2011-12-01

    Quantum entanglement in the motion of macroscopic solid bodies has implications both for quantum technologies and foundational studies of the boundary between the quantum and classical worlds. Entanglement is usually fragile in room-temperature solids, owing to strong interactions both internally and with the noisy environment. We generated motional entanglement between vibrational states of two spatially separated, millimeter-sized diamonds at room temperature. By measuring strong nonclassical correlations between Raman-scattered photons, we showed that the quantum state of the diamonds has positive concurrence with 98% probability. Our results show that entanglement can persist in the classical context of moving macroscopic solids in ambient conditions.

  12. Macroscopic effects in attosecond pulse generation

    NASA Astrophysics Data System (ADS)

    Ruchon, T.; Hauri, C. P.; Varjú, K.; Mansten, E.; Swoboda, M.; López-Martens, R.; L'Huillier, A.

    2008-02-01

    We examine how the generation and propagation of high-order harmonics in a partly ionized gas medium affect their strength and synchronization. The temporal properties of the resulting attosecond pulses generated in long gas targets can be significantly influenced by macroscopic effects, in particular by the intensity in the medium and the degree of ionization which control the dispersion. Under some conditions, the use of gas targets longer than the absorption length can lead to the generation of compressed attosecond pulses. We show these macroscopic effects experimentally, using a 6 mm-long argon-filled gas cell as the generating medium.

  13. Separation of the Microscopic and Macroscopic Domains

    ERIC Educational Resources Information Center

    Van Zandt, L. L.

    1977-01-01

    Examines the possibility of observing interference in quantum magnification experiments such as the celebrated "Schroedinger cat". Uses the possibility of observing interference for separating the realm of microscopic from macroscopic dynamics; estimates the dividing line to fall at system sizes of about 100 Daltons. (MLH)

  14. 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

  15. 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.

  16. 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.

  17. The collapse and revival of Bell-nonlocality of two macroscopic fields interacting with resonant atoms

    NASA Astrophysics Data System (ADS)

    Luo, Cheng-Li; Liao, Chang-Geng; Chen, Zi-Hong

    2010-08-01

    We investigate the nonlocality dynamics of two initially entangled macroscopic fields each interacting with a resonant two-level atom. The nonlocality of macroscopic field is characterized by the extent to which the Bell Clauser-Horne-Shimony-Holt (CHSH)'s inequality for continuous-variable states is violated. We show that the collapse and revival of the Bell-nonlocality are similar to the collapse and revival of the atomic population inversion of the Jaynes-Cummings model (JCM).

  18. Macroscopic phase decomposition in block copolymers driven by thermooxidative reactions

    NASA Astrophysics Data System (ADS)

    Fan, Shaobin

    Macroscopic phase separations have been observed in a commercial styrene- block-butadiene-block-styrene (SBS) triblock copolymer (Kraton 1102), an as-synthesized SBS triblock copolymer, an as-synthesized styrene-block-butadiene (SB) diblock copolymer and a commercial styrene-block-isoprene-block-styrene (SIS) triblock copolymer (Kraton 1107) at elevated temperatures. To the best of our knowledge, this is the first report on macroscopic phase separations in neat copolymers, including block copolymers. The temporal evolution of the structure, growth dynamics, origin and mechanism of the macroscopic phase separations have been investigated. A theoretical model has been established to describe such phase separation in SB diblock copolymer and numerical simulations have been undertaken to predict the structure evolution and growth dynamics. For styrene-butadiene block copolymers, the phase transition process consists of the first and second phase separations. The origin of such phase separations is attributed to chain scission and crosslinking reactions due to thermooxidative degradation. The formation of phase separated domains is the result of separation of polystyrene-rich domains from polybutadiene-rich domains. A mechanism, termed secondary spinodal decomposition, has been proposed to explain second phase separation. It has also demonstrated that the theoretical model and numerical simulations capture the essential features of the experimental observations. Growth rate was seen to depend on phase separation as well as reaction kinetics. The universal scaling laws have been shown to be invalid in macroscopic phase separations of styrene-butadiene block copolymers. The macroscopic phase separation process is more complex in the SIS triblock copolymer. It consists of a first phase separation, phase dissolution and a second phase separation. The origin of such phase decompositions has been shown to be a progressive chain scission reaction during thermal oxidative

  19. Bioreactive self-assembled monolayers on hydrogen-passivated Si(111) as a new class of atomically flat substrates for biological scanning probe microscopy.

    PubMed

    Wagner, P; Nock, S; Spudich, J A; Volkmuth, W D; Chu, S; Cicero, R L; Wade, C P; Linford, M R; Chidsey, C E

    1997-07-01

    This is the first report of bioreactive self-assembled monolayers, covalently bound to atomically flat silicon surfaces and capable of binding biomolecules for investigation by scanning probe microscopy and other surface-related assays and sensing devices. These monolayers are stable under a wide range of conditions and allow tailor-made functionalization for many purposes. We describe the substrate preparation and present an STM and SFM characterization, partly performed with multiwalled carbon nanotubes as tapping-mode supertips. Furthermore, we present two strategies of introducing in situ reactive headgroup functionalities. One method entails a free radical chlorosulfonation process with subsequent sulfonamide formation. A second method employs singlet carbenemediated hydrogen-carbon insertion of a heterobifunctional, amino-reactive trifluoromethyl-diazirinyl crosslinker. We believe that this new substrate is advantageous to others, because it (i) is atomically flat over large areas and can be prepared in a few hours with standard equipment, (ii) is stable under most conditions, (iii) can be modified to adjust a certain degree of reactivity and hydrophobicity, which allows physical adsorption or covalent crosslinking of the biological specimen, (iv) builds the bridge between semiconductor microfabrication and organic/biological molecular systems, and (v) is accessible to nanopatterning and applications requiring conductive substrates. PMID:9245759

  20. 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.

  1. 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

  2. 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. PMID:21405275

  3. 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.

  4. Low-noise macroscopic twin beams

    NASA Astrophysics Data System (ADS)

    Iskhakov, Timur Sh.; Usenko, Vladyslav C.; Filip, Radim; Chekhova, Maria V.; Leuchs, Gerd

    2016-04-01

    Applying a multiphoton-subtraction technique to the two-color macroscopic squeezed vacuum state of light generated via high-gain parametric down-conversion we conditionally prepare a different state of light: bright multimode low-noise twin beams. A lower noise in the sum of the photon numbers opens a possibility to encode information into this variable while keeping the nonclassical character of the state. The obtained results demonstrate up to eightfold suppression of noise in each beam while preserving and even moderately improving the nonclassical photon-number correlations between the beams. The prepared low-noise macroscopic state, containing up to 2000 photons per mode, is not among the Gaussian states achievable through nonlinear optical processes. Apart from that, we suggest a method for measuring quantum efficiency, which is based on the Fano factor measurement. The proposed technique substantially improves the usefulness of twin beams for quantum communication and metrology.

  5. Can a macroscopic gyroscope feel torsion

    NASA Technical Reports Server (NTRS)

    Stoeger, W. R.; Yasskin, P. B.

    1979-01-01

    We demonstrate that for a large class of Lagrangian-based torsion theories a macroscopic gyroscope is insensitive to the torsion field: there can be no coupling of the torsion to the gyroscope's angular momentum of rotation. To detect torsion a polarized system with a net elementary particle spin is needed. These conclusions are evident from the conservation laws, which form the basis for deriving the equations of motion.

  6. Macroscopic aspects of the Unruh effect

    NASA Astrophysics Data System (ADS)

    Buchholz, Detlev; Verch, Rainer

    2015-12-01

    Macroscopic concepts pertaining to the Unruh effect are elaborated and used to clarify its physical manifestations. Based on a description of the motion of accelerated, spatially extended laboratories in Minkowski space in terms of Poincaré transformations, it is shown that, from a macroscopic perspective, an accelerated observer will not register with his measuring instruments any global thermal effects of acceleration in the inertial (Minkowskian) vacuum state. As is explained, this result is not in conflict with the well-known fact that microscopic probes used as thermometers respond non-trivially to acceleration if coupled to the vacuum. But this response cannot be interpreted as the effect of some exchange of thermal energy with a gas surrounding the observer; in fact, it is induced by the measuring process itself. It is also shown that genuine equilibrium states in a uniformly accelerated laboratory cannot be spatially homogeneous. In particular, these states coincide with the homogeneous inertial vacuum at sufficiently large distances from the horizon of the observer and consequently have the same (zero) temperature there. The analysis is carried out in the theory of a free massless scalar field; however the conclusion that the Unruh effect is not of a macroscopic thermal origin is generally valid.

  7. Scanner-based macroscopic color variation estimation

    NASA Astrophysics Data System (ADS)

    Kuo, Chunghui; Lai, Di; Zeise, Eric

    2006-01-01

    Flatbed scanners have been adopted successfully in the measurement of microscopic image artifacts, such as granularity and mottle, in print samples because of their capability of providing full color, high resolution images. Accurate macroscopic color measurement relies on the use of colorimeters or spectrophotometers to provide a surrogate for human vision. The very different color response characteristics of flatbed scanners from any standard colorimetric response limits the utility of a flatbed scanner as a macroscopic color measuring device. This metamerism constraint can be significantly relaxed if our objective is mainly to quantify the color variations within a printed page or between pages where a small bias in measured colors can be tolerated as long as the color distributions relative to the individual mean values is similar. Two scenarios when converting color from the device RGB color space to a standardized color space such as CIELab are studied in this paper, blind and semi-blind color transformation, depending on the availability of the black channel information. We will show that both approaches offer satisfactory results in quantifying macroscopic color variation across pages while the semi-blind color transformation further provides fairly accurate color prediction capability.

  8. 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.

  9. Direct comparison of nanoindentation and macroscopic measurements of bone viscoelasticity

    PubMed Central

    Shepherd, Tara N.; Zhang, Jingzhou; Ovaert, Timothy C.; Roeder, Ryan K.; Niebur, Glen L.

    2011-01-01

    Nanoindentation has become a standard method for measuring mechanical properties of bone, especially within microstructural units such as individual osteons or trabeculae. The use of nanoindentation to measure elastic properties has been thoroughly studied and validated. However, it is also possible to assess time dependent properties of bone by nanoindentation. The goal of this study was to compare time dependent mechanical properties of bone measured at the macroscopic level with those measured by nanoindentation. Twelve samples were prepared from the posterior distal femoral cortex of young cows. Initially, dogbone samples were prepared and subjected to torsional stress relaxation in a saline bath at 37 C. A 5 mm thick disk was subsequently sectioned from the gage length, and subjected to nanoindentation. Nanoindentation was performed on hydrated samples using a standard protocol with 20 indents performed in 20 different osteons in each sample. Creep and stress relaxation data were fit to a Burgers four parameter rheological model, a five parameter generalized Maxwell model, and a three parameter standard linear solid. For Burgers viscoelastic model, the time constants measured by nanoindentation and torsion were weakly negatively correlated, while for the other two models the time constants were uncorrelated. The results support the notion that the viscoelastic behavior of bone at the macroscopic scale is primarily due to microstructural features, interfaces, or fluid flow, rather than viscous behavior of the bone tissue. As viscoelasticity affects the fatigue behavior of materials, the microscale properties may provide a measure of bone quality associated with initial damage formation. PMID:22098905

  10. Effects of Microstructure Variations on Macroscopic Terahertz Metafilm Properties

    DOE PAGESBeta

    O'Hara, John F.; Smirnova, Evgenya; Azad, Abul K.; Chen, Hou-Tong; Taylor, Antoinette J.

    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.

  11. Macroscopic Universality: Why QCD in Matter is Subtle

    SciTech Connect

    Janik, R.A.; Nowak, M.A.; Papp, G.; Zahed, I. |||||

    1996-12-01

    We use a chiral random matrix model with 2{ital N}{sub {ital f}} flavors to mock up the QCD Dirac spectrum at finite chemical potential. We show that the 1/{ital N} approximation breaks down in the quenched state with spontaneously broken chiral symmetry. The breakdown condition is set by the divergence of a two-point function that is shown to follow the general lore of macroscopic universality. In this state, the fermionic fluctuations are not suppressed in the large {ital N} limit. {copyright} {ital 1996 The American Physical Society.}

  12. 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.

  13. 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

  14. 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.

  15. 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.

  16. Macroscopic optomechanical superposition via periodic qubit flipping

    NASA Astrophysics Data System (ADS)

    Ge, Wenchao; Zubairy, M. Suhail

    2015-01-01

    We propose a scheme to generate macroscopic superpositions of well-distinguishable coherent states in an optomechanical system via periodic qubit flipping. Our scheme does not require the single-photon strong-coupling rate of an optomechanical system. The generated mechanical superposition state can be reconstructed using mechanical quantum-state reconstruction. The proposed scheme relies on recycling of an atom, fast atomic qubit flipping, and coherent state mapping between a single-photon superposition state and an atomic superposition state. We discuss the experimental feasibility of our proposal under current technology.

  17. 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.

  18. 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.

  19. 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

  20. Temporal bone fracture under lateral impact: biomechanical and macroscopic evaluation.

    PubMed

    Montava, Marion; Masson, Catherine; Lavieille, Jean-Pierre; Mancini, Julien; Soussan, Jerome; Chaumoitre, Kathia; Arnoux, Pierre-Jean

    2016-03-01

    This work was conducted to study biomechanical properties and macroscopic analysis of petrous fracture by lateral impact. Seven embalmed intact human cadaver heads were tested to failure using an electrohydraulic testing device. Dynamic loading was done at 2 m/s on temporal region with maximal deflection to 12 mm. Anthropometric and pathological data were determined by pretest and posttest computed tomography images, macroscopic evaluation, and anatomical dissection. Biomechanical data were obtained. Results indicated the head to have nonlinear structural response. The overall mean values of failure forces, deflections, stiffness, occipital, and frontal peak acceleration were 7.1 kN (±1.1), 9.1 mm (±1.8), 1.3 kN/mm (±0.4), 90.5 g (±22.5), and 65.4 g (±16), respectively. The seven lateral impacts caused fractures, temporal fractures in six cases. We observed very strong homogeneity for the biomechanical and pathological results between different trials in our study and between data from various experiments and our study. No statistical correlation was found between anthropometric, biomechanical, and pathological data. These data will assist in the development and validation of finite element models of head injury. PMID:26036776

  1. Macroscopic conductivity of free fermions in disordered media

    NASA Astrophysics Data System (ADS)

    Bru, J.-B.; de Siqueira Pedra, W.; Hertling, C.

    2014-05-01

    We conclude our analysis of the linear response of charge transport in lattice systems of free fermions subjected to a random potential by deriving general mathematical properties of its conductivity at the macroscopic scale. The present paper belongs to a succession of studies on Ohm and Joule's laws from a thermodynamic viewpoint starting with [1-3]. We show, in particular, the existence and finiteness of the conductivity measure μΣ for macroscopic scales. Then we prove that, similar to the conductivity measure associated to Drude's model, μΣ converges in the weak*-topology to the trivial measure in the case of perfect insulators (strong disorder, complete localization), whereas in the limit of perfect conductors (absence of disorder) it converges to an atomic measure concentrated at frequency ν = 0. However, the AC-conductivity μΣ|ℝ\\{0} does not vanish in general: We show that μΣ(ℝ\\{0}) > 0, at least for large temperatures and a certain regime of small disorder.

  2. 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.

  3. 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.

  4. 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. PMID:21266986

  5. Macroscopic approach to the Casimir friction force

    NASA Astrophysics Data System (ADS)

    Nesterenko, V. V.; Nesterenko, A. V.

    2014-07-01

    The general formula is derived for the vacuum friction force between two parallel perfectly flat planes bounding two material media separated by a vacuum gap and moving relative to each other with a constant velocity v. The material media are described in the framework of macroscopic electrodynamics whereas the nonzero temperature and dissipation are taken into account by making use of the Kubo formulas from non-equilibrium statistical thermodynamics. The formula obtained provides a rigorous basis for calculation of the vacuum friction force within the quantum field theory methods in the condensed matter physics. The revealed v dependence of the vacuum friction force proves to be the following: for zero temperature ( T = 0) it is proportional to (v/ c)3 and for T > 0 this force is linear in v/ c.

  6. 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

  7. Macroscopic serosal classification of colorectal cancer and its clinical significance

    PubMed Central

    Wang, Yong-Peng; Guo, Peng-Tao; Zhu, Zhi; Zhang, Hao; Xu, Yan; Ma, Si-Ping; Wang, Zhen-Ning; Xu, Hui-Mian

    2015-01-01

    Background: Macroscopic serosal classification of gastric cancer has been reported in previous studies, but rarely reported about it of colorectal cancer. The purpose of this study was to propose a macroscopic serosal classification of colorectal cancer and to investigate clinical significance of this classification. Materials and methods: Morphologic features of colorectal cancer were analyzed according to the macroscopic serosal appearance and clinicopathologic characteristics of these patients were retrospectively reviewed. Microscopic serosal structure was compared between different types under light microscope and transmission electron microscope. Results: Macroscopic serosal classification was divided into normal type, reactive type, nodular type and colloid type according to the macroscopic serosal appearance and microscopic structure. There were significant differences in tumor size, tumor gross type, histological type, histological grade, tumor necrosis, pT stage, number of nodes metastasis, lymph node metastasis ratio, pN stage, M stage and peritoneal metastasis between patients with different serosal types. Univariate analysis of prognosis revealed macroscopic serosal classification as one of factors significantly correlated with patient survival. However, multivariate analysis only revealed TNM stage significantly correlated with patient survival, while macroscopic serosal classification did not, maybe due to insufficient samples. Conclusions: Macroscopic serosal classification of colorectal cancer is preliminarily defined and divided into four types. Different macroscopic serosal types indicate different clinicopathologic features and correlate with prognosis of patients with colorectal cancer, but still cannot be proven as an independent factor. PMID:26884925

  8. 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

  9. Backreaction of cosmological perturbations in covariant macroscopic gravity

    NASA Astrophysics Data System (ADS)

    Paranjape, Aseem

    2008-09-01

    The problem of corrections to Einstein’s equations arising from averaging of inhomogeneities (backreaction) in the cosmological context has gained considerable attention recently. We present results of analyzing cosmological perturbation theory in the framework of Zalaletdinov’s fully covariant macroscopic gravity. We show that this framework can be adapted to the setting of cosmological perturbations in a manner which is free from gauge related ambiguities. We derive expressions for the backreaction which can be readily applied in any situation (not necessarily restricted to the linear perturbations considered here) where the metric can be brought to the perturbed Friedmann-Lemaître-Robertson-Walker form. In particular, these expressions can be employed in toy models studying nonlinear structure formation, and possibly also in N-body simulations. Additionally, we present results of example calculations which show that the backreaction remains negligible well into the matter dominated era.

  10. 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.

  11. Dissipative Optomechanical Preparation of Macroscopic Quantum Superposition States.

    PubMed

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

    2016-06-10

    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. PMID:27341233

  12. 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.

  13. Macroscopic quantum tunneling in a stack of capacitively-coupled intrinsic Josephson junctions

    NASA Astrophysics Data System (ADS)

    Koyama, Tomio; Machida, Masahiko

    2008-04-01

    A macroscopic quantum theory for the phase dynamics in capacitively-coupled intrinsic Josephson junctions (IJJ's) is constructed. We quantize the capacitively-coupled IJJ model in terms of the canonical quantization method. The multi-junction effect for the macroscopic quantum tunneling (MQT) to the first resistive branch is clarified. It is shown that the escape rate is greatly enhanced by the capacitive coupling between junctions. We also discuss the origin of the N2 -enhancement in the escape rate observed in the uniformly switching in Bi-2212 IJJ's.

  14. Macroscopic properties of fractured porous media

    NASA Astrophysics Data System (ADS)

    Jean Francois, T.; Adler, P.; Bogdanov, I.; Mourzenko, V.

    2006-12-01

    There are two basic problems to be addressed. The first one is to solve precisely the partial differential equations which govern the phenomena which occur in these media and which are of interest in a large number of applications. The second one is to define a methodology in order to be able to estimate the macroscopic properties of real media by using quantities which are easily measurable on the field. Two major steps are needed for the numerical solution (1). First, an unstructured tetrahedral mesh of the fractures and of the porous matrix located in between is constructed; second, the governing partial equations are discretized and solved, in a finite volume formulation. A brief overview of the various problems which have been addressed so far, will be given: single and two phase flows, unsteady flows around a well, dispersion of an active and a passive solute, mechanical properties. This set of codes enabled us to cope with the second basic problem. Our approach is based on the systematic use of the excluded volume of fractures (which will be defined). The number of fractures per unit volume can be replaced by the number ρ ' of fractures per excluded volume. When numerical results such as the percolation threshold, the macroscopic permeability are plotted as functions of ρ ' they become independent of the shapes of the fractures which is a decisive simplification. Then, we show how ρ ' can be estimated from measurements performed along lines (2), planes, and galleries. It is interesting to notice that many stereological relations are actually independent of the size and shapes of fractures provided that they are convex (3); such a property adds a lot of generality to our methodology. Some tentative applications of the methodology are given and they show that the estimations are always in good agreement with the data. References (1) I.I. Bogdanov, V.V. Mourzenko, J.-F. Thovert, P.M. Adler, Effective permeability of fractured porous media in steady

  15. 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.

  16. 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. PMID:23579105

  17. 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.

  18. Predicting metapopulation lifetime from macroscopic network properties.

    PubMed

    Drechsler, Martin

    2009-03-01

    This paper presents a comparatively simple approximation formula for the mean life time of a metapopulation in a habitat network where habitat patch arrangement may be irregular and patch sizes differ. It is based on previous work on the development of an analytical approximation formula by Frank and Wissel [K. Frank, C. Wissel, A formula for the mean lifetime of metapopulations in heterogeneous landscapes, Am. Nat. 159 (2002) 530] and extends it by abstracting from individual patch locations. The mean metapopulation lifetime is expressed as a function of four macroscopic network properties: the ratio of dispersal range and network size, the ratio of range of environmental correlation and network size, and the total number and (geometric mean) size of the patches. The analysis takes into account that (ceteris paribus) patches close to the boundary of the habitat network contribute less to metapopulation survival than patches close to the centre of the network. Ignoring this fact can lead to a substantial overestimation of the mean metapopulation lifetime. Due to its numerical simplicity, the formula can be used as a conservation objective function even in complex network design problems where the number of patches to be allocated is very large. Numerical tests of the formula show that it performs very well within a wide range of network structures. PMID:19159631

  19. Macroscopic characteristics of the praying mantis electroretinogram.

    PubMed

    Popkiewicz, Barbara; Prete, Frederick R

    2013-08-01

    We described the macroscopic characteristics of the praying mantis ERG in three species, Tenodera aridifolia sinensis, Sphodromantis lineola, and Popa spurca. In all cases, when elicited by square wave light pulses longer than 400 ms, light adapted (LA) ERGs consisted of four component waveforms: a cornea negative transient and sustained ON, a cornea negative transient OFF, and a cornea positive sustained OFF. The former two ON, and the latter OFF components were attributed to photoreceptor depolarization and repolarization, respectively. Metabolic stress via CO2 induced anoxia selectively eliminated the transient OFF (independent of its effect on the other components) suggesting the transient OFF represents activity of the lamina interneurons on which the photoreceptors synapse. Dark adapted (DA) ERGs differed from LA ERGs in that the sustained ON and OFF amplitudes were larger, and the transient ON and OFF components were absent. Increased stimulus durations increased the amplitudes and derivatives of, and decreased the latencies to the maximum amplitudes of the OFF components. Increasing stimulus intensity increased the amplitude of the sustained ON and OFF components, but not the transient OFF. These results suggest that the mantis' visual system displays increased contrast coding efficiency with increased light adaptation, and that there are differences in gain between photoreceptor and lamina interneuron responses. Finally, responses to luminance decrements as brief a 1 ms were evident in LA recordings, and were resolved at frequencies up to 60 Hz. PMID:23684801

  20. 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

  1. Estimation of the covariance matrix of macroscopic quantum states

    NASA Astrophysics Data System (ADS)

    Ruppert, László; Usenko, Vladyslav C.; Filip, Radim

    2016-05-01

    For systems analogous to a linear harmonic oscillator, the simplest way to characterize the state is by a covariance matrix containing the symmetrically ordered moments of operators analogous to position and momentum. We show that using Stokes-like detectors without direct access to either position or momentum, the estimation of the covariance matrix of a macroscopic signal is still possible using interference with a classical noisy and low-intensity reference. Such a detection technique will allow one to estimate macroscopic quantum states of electromagnetic radiation without a coherent high-intensity local oscillator. It can be directly applied to estimate the covariance matrix of macroscopically bright squeezed states of light.

  2. Macroscopic and spectroscopic analysis of lanthanide adsorption to bacterial cells

    NASA Astrophysics Data System (ADS)

    Ngwenya, Bryne T.; Mosselmans, J. Fred W.; Magennis, Marisa; Atkinson, Kirk D.; Tourney, Janette; Olive, Valerie; Ellam, Robert M.

    2009-06-01

    This study was designed to combine surface complexation modelling of macroscopic adsorption data with X-ray Absorption Spectroscopic (XAS) measurements to identify lanthanide sorption sites on the bacterial surface. The adsorption of selected representatives for light (La and Nd), middle (Sm and Gd) and heavy (Er and Yb) lanthanides was measured as a function of pH, and biomass samples exposed to 4 mg/L lanthanide at pH 3.5 and 6 were analysed using XAS. Surface complexation modelling was consistent with the light lanthanides adsorbing to phosphate sites, whereas the adsorption of middle and heavy lanthanides could be modelled equally well by carboxyl and phosphate sites. The existence of such mixed mode coordination was confirmed by Extended X-ray Absorption Fine Structure (EXAFS) analysis, which was also consistent with adsorption to phosphate sites at low pH, with secondary involvement of carboxyl sites at high adsorption density (high pH). Thus, the two approaches yield broadly consistent information with regard to surface site identity and lanthanide coordination environment. Furthermore, spectroscopic analysis suggests that coordination to phosphate sites is monodentate at the metal/biomass ratios used. Based on the best-fitting p Ka site, we infer that the phosphate sites are located on N-acetylglucosamine phosphate, the most likely polymer on gram-negative cells with potential phosphate sites that deprotonate around neutral pH.

  3. 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. PMID:27110645

  4. Toward Understanding Whether Interactive Surface Area Could Direct Ordered Macroscopic Supramolecular Self-Assembly.

    PubMed

    Akram, Raheel; Cheng, Mengjiao; Guo, Fengli; Iqbal, Saleem; Shi, Feng

    2016-04-19

    The mismatching phenomena are ubiquitous in complex and advanced self-assembly, such as hierarchical assembly, macroscopic supramolecular assembly, and so on. Recently, for macroscopic supramolecular assembly, the strategy of maximizing the interactive surface area was used and supposed to handle this problem; however, now there is little understanding of whether interactive surface area is the dominant factor to guide the assembly patterns. Herein by taking millimeter cylinder building blocks with different diameter/height (d/h) ratios as model systems, we have investigated the interactive-surface-area-dependent assembling behaviors in macroscopic supramolecular assembly. The results showed that the increasing d/h ratio of cylinders contributed to selectivity of face-to-face assembled pattern over face-to-side or side-to-side geometries, thus having improved the ordering degree of the assembled structures; however, the mismatching phenomena could not be totally avoided due to high colliding chances in kinetics and the thermally favorable stability of these structures. We further confirmed the above hypothesis by in situ measurements of interactive forces of building blocks with different assembled patterns. This work of macroscopic supramolecular assembly provides an in situ visible platform, which is significant to clarify the influences of interactive surface area on the assembly behaviors. PMID:27029028

  5. 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.

  6. Microscopic and Macroscopic Studies on Resistance Responses to Daylily Rust

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Infection process of Puccinia hemerocallidis, the causal agent of daylily rust, and resistance responses in eight daylily cultivars were studied macroscopically and microscopically. After germination of urediniospores, appressoria formed at the tip of germ tubes and penetrated through stomatal openi...

  7. Quantum-Mechanical Channel of Interactions between Macroscopic Systems

    SciTech Connect

    Sargsyan, R. Sh.; Karamyana, G. G.; Gevorkyan, A. S.

    2010-05-04

    The macroscopic experimental phenomena which cannot be explained in the frames of classical concepts are described. The attempt of qualitatively understanding of observed effects based on Bohm's representation of Schroedinger equation for arbitrary system of interacting particles is presented.

  8. 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.

  9. 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.

  10. Macroscopic shock plasticity of brittle material through designed void patterns

    NASA Astrophysics Data System (ADS)

    Jiang, Tailong; Yu, Yin; He, Hongliang; Li, Yongqiang; Huan, Qiang; Wu, Jiankui

    2016-03-01

    The rapid propagation and coalescence of cracks and catastrophic fractures, which occur often under shock compression, compromise a brittle material's design function and restrict its scope of practical application. The shock plasticity of brittle materials can be improved significantly by introducing and designing its microstructure, which can help reduce or delay failure. We used a lattice-spring model, which can describe elastic deformation and brittle fracture of modeled material accurately, to study the influence of void distributions (random, square, hexagonal, and triangular void patterns) on the macroscopic shock response and the mesoscopic deformation feature of brittle materials. Calculated results indicate that the void patterns dominate two inelastic deformation stages on the Hugoniot stress-strain curves (the collapse deformation stage and the slippage deformation stage). It shows that the strain localization is not strong and that the broken media are closer to a round bulk when the samples exist in random and triangular void patterns. This favors an increase in deformation during the slippage deformation stage. For the samples with square and hexagonal void patterns, the strain localization is strong and the broken media are closer to columnar bulks, which favors an increase in deformation during the collapse deformation stage.