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Sample records for polarized continuum model

  1. Mathematical analysis of steady-state solutions in compartment and continuum models of cell polarization.

    Science.gov (United States)

    Zheng, Zhenzhen; Chou, Ching-Shan; Yi, Tau-Mu; Nie, Qing

    2011-10-01

    Cell polarization, in which substances previously uniformly distributed become asymmetric due to external or/and internal stimulation, is a fundamental process underlying cell mobility, cell division, and other polarized functions. The yeast cell S. cerevisiae has been a model system to study cell polarization. During mating, yeast cells sense shallow external spatial gradients and respond by creating steeper internal gradients of protein aligned with the external cue. The complex spatial dynamics during yeast mating polarization consists of positive feedback, degradation, global negative feedback control, and cooperative effects in protein synthesis. Understanding such complex regulations and interactions is critical to studying many important characteristics in cell polarization including signal amplification, tracking dynamic signals, and potential trade-off between achieving both objectives in a robust fashion. In this paper, we study some of these questions by analyzing several models with different spatial complexity: two compartments, three compartments, and continuum in space. The step-wise approach allows detailed characterization of properties of the steady state of the system, providing more insights for biological regulations during cell polarization. For cases without membrane diffusion, our study reveals that increasing the number of spatial compartments results in an increase in the number of steady-state solutions, in particular, the number of stable steady-state solutions, with the continuum models possessing infinitely many steady-state solutions. Through both analysis and simulations, we find that stronger positive feedback, reduced diffusion, and a shallower ligand gradient all result in more steady-state solutions, although most of these are not optimally aligned with the gradient. We explore in the different settings the relationship between the number of steady-state solutions and the extent and accuracy of the polarization. Taken together

  2. The Second-Order Polarization Propagator Approximation (SOPPA) method coupled to the polarizable continuum model

    DEFF Research Database (Denmark)

    Eriksen, Janus Juul; Solanko, Lukasz Michal; Nåbo, Lina J.

    2014-01-01

    We present an implementation of the Polarizable Continuum Model (PCM) in combination with the Second–Order Polarization Propagator Approximation (SOPPA) electronic structure method. In analogy with the most common way of designing ground state calculations based on a Second–Order Møller-Plesset (MP......2) wave function coupled to PCM, we introduce dynamical PCM solvent effects only in the Random Phase Approximation (RPA) part of the SOPPA response equations while the static solvent contribution is kept in both the RPA terms as well as in the higher order correlation matrix components of the SOPPA...... response equations. By dynamic terms, we refer to contributions that describe a change in environmental polarization which, in turn, reflects a change in the core molecular charge distribution upon an electronic excitation. This new combination of methods is termed PCM-SOPPA/RPA. We apply this newly...

  3. Modeling interface shear behavior of granular materials using micro-polar continuum approach

    Science.gov (United States)

    Ebrahimian, Babak; Noorzad, Ali; Alsaleh, Mustafa I.

    2018-01-01

    Recently, the authors have focused on the shear behavior of interface between granular soil body and very rough surface of moving bounding structure. For this purpose, they have used finite element method and a micro-polar elasto-plastic continuum model. They have shown that the boundary conditions assumed along the interface have strong influences on the soil behavior. While in the previous studies, only very rough bounding interfaces have been taken into account, the present investigation focuses on the rough, medium rough and relatively smooth interfaces. In this regard, plane monotonic shearing of an infinite extended narrow granular soil layer is simulated under constant vertical pressure and free dilatancy. The soil layer is located between two parallel rigid boundaries of different surface roughness values. Particular attention is paid to the effect of surface roughness of top and bottom boundaries on the shear behavior of granular soil layer. It is shown that the interaction between roughness of bounding structure surface and the rotation resistance of bounding grains can be modeled in a reasonable manner through considered Cosserat boundary conditions. The influence of surface roughness is investigated on the soil shear strength mobilized along the interface as well as on the location and evolution of shear localization formed within the layer. The obtained numerical results have been qualitatively compared with experimental observations as well as DEM simulations, and acceptable agreement is shown.

  4. The wet solidus of silica: Predictions from the scaled particle theory and polarized continuum model

    Energy Technology Data Exchange (ETDEWEB)

    Ottonello, G., E-mail: giotto@dipteris.unige.it; Vetuschi Zuccolini, M. [DIPTERIS, Università di Genova, Corso Europa 26, 16132 Genoa (Italy); Richet, P. [Institut de Physique du Globe, Rue Jussieu 2, 75005 Paris (France)

    2015-02-07

    We present an application of the Scaling Particle Theory (SPT) coupled with an ab initio assessment of the electronic, dispersive, and repulsive energy terms based on the Polarized Continuum Model (PCM) aimed at reproducing the observed solubility behavior of OH{sub 2} over the entire compositional range from pure molten silica to pure water and wide pressure and temperature regimes. It is shown that the solution energy is dominated by cavitation terms, mainly entropic in nature, which cause a large negative solution entropy and a consequent marked increase of gas phase fugacity with increasing temperatures. Besides, the solution enthalpy is negative and dominated by electrostatic terms which depict a pseudopotential well whose minimum occurs at a low water fraction (X{sub H{sub 2O}}) of about 6 mol. %. The fine tuning of the solute-solvent interaction is achieved through very limited adjustments of the electrostatic scaling factor γ{sub el} which, in pure water, is slightly higher than the nominal value (i.e., γ{sub el}  =  1.224 against 1.2), it attains its minimum at low H{sub 2}O content (γ{sub el} = 0.9958) and then rises again at infinite dilution (γ{sub el}   =  1.0945). The complex solution behavior is interpreted as due to the formation of energetically efficient hydrogen bonding when OH functionals are in appropriate amount and relative positioning with respect to the discrete OH{sub 2} molecules, reinforcing in this way the nominal solute-solvent inductive interaction. The interaction energy derived from the SPT-PCM calculations is then recast in terms of a sub-regular Redlich-Kister expansion of appropriate order whereas the thermodynamic properties of the H{sub 2}O component at its standard state (1-molal solution referred to infinite dilution) are calculated from partial differentiation of the solution energy over the intensive variables.

  5. Continuum treatment of electronic polarization effect.

    Science.gov (United States)

    Tan, Yu-Hong; Luo, Ray

    2007-03-07

    A continuum treatment of electronic polarization has been explored for in molecular mechanics simulations in implicit solvents. The dielectric constant for molecule interior is the only parameter in the continuum polarizable model. A value of 4 is found to yield optimal agreement with high-level ab initio quantum mechanical calculations for the tested molecular systems. Interestingly, its performance is not sensitive to the definition of molecular volume, in which the continuum electronic polarization is defined. In this model, quantum mechanical electrostatic field in different dielectric environments from vacuum, low-dielectric organic solvent, and water can be used simultaneously in atomic charge fitting to achieve consistent treatment of electrostatic interactions. The tests show that a single set of atomic charges can be used consistently in different dielectric environments and different molecular conformations, and the atomic charges transfer well from training monomers to tested dimers. The preliminary study gives us the hope of developing a continuum polarizable force field for more consistent simulations of proteins and nucleic acids in implicit solvents.

  6. Continuum treatment of electronic polarization effect

    Science.gov (United States)

    Tan, Yu-Hong; Luo, Ray

    2007-03-01

    A continuum treatment of electronic polarization has been explored for in molecular mechanics simulations in implicit solvents. The dielectric constant for molecule interior is the only parameter in the continuum polarizable model. A value of 4 is found to yield optimal agreement with high-level ab initio quantum mechanical calculations for the tested molecular systems. Interestingly, its performance is not sensitive to the definition of molecular volume, in which the continuum electronic polarization is defined. In this model, quantum mechanical electrostatic field in different dielectric environments from vacuum, low-dielectric organic solvent, and water can be used simultaneously in atomic charge fitting to achieve consistent treatment of electrostatic interactions. The tests show that a single set of atomic charges can be used consistently in different dielectric environments and different molecular conformations, and the atomic charges transfer well from training monomers to tested dimers. The preliminary study gives us the hope of developing a continuum polarizable force field for more consistent simulations of proteins and nucleic acids in implicit solvents.

  7. Non-coherent continuum scattering as a line polarization mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Del Pino Alemán, T.; Manso Sainz, R.; Trujillo Bueno, J., E-mail: tanausu@iac.es, E-mail: rsainz@iac.es, E-mail: jtb@iac.es [Instituto de Astrofísica de Canarias, E-38205 La Laguna, Tenerife (Spain)

    2014-03-20

    Line scattering polarization can be strongly affected by Rayleigh scattering at neutral hydrogen and Thomson scattering at free electrons. Often a depolarization of the continuum results, but the Doppler redistribution produced by the continuum scatterers, which are light (hence, fast), induces more complex interactions between the polarization in spectral lines and in the continuum. Here we formulate and solve the radiative transfer problem of scattering line polarization with non-coherent continuum scattering consistently. The problem is formulated within the spherical tensor representation of atomic and light polarization. The numerical method of solution is a generalization of the Accelerated Lambda Iteration that is applied to both the atomic system and the radiation field. We show that the redistribution of the spectral line radiation due to the non-coherence of the continuum scattering may modify the shape of the emergent fractional linear polarization patterns significantly, even yielding polarization signals above the continuum level in intrinsically unpolarizable lines.

  8. Improvements in continuum modeling for biomolecular systems

    Science.gov (United States)

    Yu, Qiao; Ben-Zhuo, Lu

    2016-01-01

    Modeling of biomolecular systems plays an essential role in understanding biological processes, such as ionic flow across channels, protein modification or interaction, and cell signaling. The continuum model described by the Poisson- Boltzmann (PB)/Poisson-Nernst-Planck (PNP) equations has made great contributions towards simulation of these processes. However, the model has shortcomings in its commonly used form and cannot capture (or cannot accurately capture) some important physical properties of the biological systems. Considerable efforts have been made to improve the continuum model to account for discrete particle interactions and to make progress in numerical methods to provide accurate and efficient simulations. This review will summarize recent main improvements in continuum modeling for biomolecular systems, with focus on the size-modified models, the coupling of the classical density functional theory and the PNP equations, the coupling of polar and nonpolar interactions, and numerical progress. Project supported by the National Natural Science Foundation of China (Grant No. 91230106) and the Chinese Academy of Sciences Program for Cross & Cooperative Team of the Science & Technology Innovation.

  9. Control and Modeling of Extensible Continuum Robots

    Data.gov (United States)

    National Aeronautics and Space Administration — The goal of this research is to develop fundamental control theory, dynamic modeling, and control technology for extensible continuum robotic manipulators. These...

  10. Discovery of a complex linearly polarized spectrum of Betelgeuse dominated by depolarization of the continuum

    Science.gov (United States)

    Aurière, M.; López Ariste, A.; Mathias, P.; Lèbre, A.; Josselin, E.; Montargès, M.; Petit, P.; Chiavassa, A.; Paletou, F.; Fabas, N.; Konstantinova-Antova, R.; Donati, J.-F.; Grunhut, J. H.; Wade, G. A.; Herpin, F.; Kervella, P.; Perrin, G.; Tessore, B.

    2016-06-01

    Context. Betelgeuse is an M supergiant that harbors spots and giant granules at its surface and presents linear polarization of its continuum. Aims: We have previously discovered linear polarization signatures associated with individual lines in the spectra of cool and evolved stars. Here, we investigate whether a similar linearly polarized spectrum exists for Betelgeuse. Methods: We used the spectropolarimeter Narval, combining multiple polarimetric sequences to obtain high signal-to-noise ratio spectra of individual lines, as well as the least-squares deconvolution (LSD) approach, to investigate the presence of an averaged linearly polarized profile for the photospheric lines. Results: We have discovered the existence of a linearly polarized spectrum for Betelgeuse, detecting a rather strong signal (at a few times 10-4 of the continuum intensity level), both in individual lines and in the LSD profiles. Studying its properties and the signal observed for the resonant Na I D lines, we conclude that we are mainly observing depolarization of the continuum by the absorption lines. The linear polarization of the Betelgeuse continuum is due to the anisotropy of the radiation field induced by brightness spots at the surface and Rayleigh scattering in the atmosphere. We have developed a geometrical model to interpret the observed polarization, from which we infer the presence of two brightness spots and their positions on the surface of Betelgeuse. We show that applying the model to each velocity bin along the Stokes Q and U profiles allows the derivation of a map of the bright spots. We use the Narval linear polarization observations of Betelgeuse obtained over a period of 1.4 yr to study the evolution of the spots and of the atmosphere. Conclusions: Our study of the linearly polarized spectrum of Betelgeuse provides a novel method for studying the evolution of brightness spots at its surface and complements quasi-simultaneous observations obtained with PIONIER at the

  11. Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)–Tuned Range-Separated Density Functional Approach

    KAUST Repository

    Sun, Haitao

    2016-05-16

    We propose a new methodology for the first-principles description of the electronic properties relevant for charge transport in organic molecular crystals. This methodology, which is based on the combination of a non-empirical, optimally tuned range-separated hybrid functional with the polarizable continuum model, is applied to a series of eight representative molecular semiconductor crystals. We show that it provides ionization energies, electron affinities, and transport gaps in very good agreement with experimental values as well as with the results of many-body perturbation theory within the GW approximation at a fraction of the computational costs. Hence, this approach represents an easily applicable and computationally efficient tool to estimate the gas-to-crystal-phase shifts of the frontier-orbital quasiparticle energies in organic electronic materials.

  12. Continuum and computational modeling of flexoelectricity

    Science.gov (United States)

    Mao, Sheng

    Flexoelectricity refers to the linear coupling of strain gradient and electric polarization. Early studies of this subject mostly look at liquid crystals and biomembranes. Recently, the advent of nanotechnology revealed its importance also in solid structures, such as flexible electronics, thin films, energy harvesters, etc. The energy storage function of a flexoelectric solid depends not only on polarization and strain, but also strain-gradient. This is our basis to formulate a consistent model of flexoelectric solids under small deformation. We derive a higher-order Navier equation for linear isotropic flexoelectric materials which resembles that of Mindlin in gradient elasticity. Closed-form solutions can be obtained for problems such as beam bending, pressurized tube, etc. Flexoelectric coupling can be enhanced in the vicinity of defects due to strong gradients and decay away in far field. We quantify this expectation by computing elastic and electric fields near different types of defects in flexoelectric solids. For point defects, we recover some well-known results of non-local theories. For dislocations, we make connections with experimental results on NaCl, ice, etc. For cracks, we perform a crack-tip asymptotic analysis and the results share features from gradient elasticity and piezoelectricity. We compute the J integral and use it for determining fracture criteria. Conventional finite element methods formulated solely on displacement are inadequate to treat flexoelectric solids due to higher order governing equations. Therefore, we introduce a mixed formulation which uses displacement and displacement-gradient as separate variables. Their known relation is constrained in a weighted integral sense. We derive a variational formulation for boundary value problems for piezeo- and/or flexoelectric solids. We validate this computational framework against exact solutions. With this method more complex problems, including a plate with an elliptical hole

  13. Continuum Modeling in the Physical Sciences

    NARCIS (Netherlands)

    Groesen, van E.; Molenaar, J.

    2007-01-01

    Mathematical modeling—the ability to apply mathematical concepts and techniques to real-life systems—has expanded considerably over the last decades, making it impossible to cover all of its aspects in one course or textbook. Continuum Modeling in the Physical Sciences provides an extensive

  14. How do we model continuum QCD

    International Nuclear Information System (INIS)

    Cornwall, J.M.

    1986-01-01

    The nonperturbative aspects of continuum QCD are so complex that one can only hope to approach them through well-motivated models. The author reviews the general properties that any such model must have, based on the understanding of the gluon condensate in the QCD vacuum. A specific, practical model is proposed motivated by a picture of the condensate as made of thick vortex sheets self-consistently constructed from dynamically massive gluons. (author)

  15. Mesoscopic and continuum modelling of angiogenesis

    KAUST Repository

    Spill, F.

    2014-03-11

    Angiogenesis is the formation of new blood vessels from pre-existing ones in response to chemical signals secreted by, for example, a wound or a tumour. In this paper, we propose a mesoscopic lattice-based model of angiogenesis, in which processes that include proliferation and cell movement are considered as stochastic events. By studying the dependence of the model on the lattice spacing and the number of cells involved, we are able to derive the deterministic continuum limit of our equations and compare it to similar existing models of angiogenesis. We further identify conditions under which the use of continuum models is justified, and others for which stochastic or discrete effects dominate. We also compare different stochastic models for the movement of endothelial tip cells which have the same macroscopic, deterministic behaviour, but lead to markedly different behaviour in terms of production of new vessel cells. © 2014 Springer-Verlag Berlin Heidelberg.

  16. Continuum mechanics the birthplace of mathematical models

    CERN Document Server

    Allen, Myron B

    2015-01-01

    Continuum mechanics is a standard course in many graduate programs in engineering and applied mathematics as it provides the foundations for the various differential equations and mathematical models that are encountered in fluid mechanics, solid mechanics, and heat transfer.  This book successfully makes the topic more accessible to advanced undergraduate mathematics majors by aligning the mathematical notation and language with related courses in multivariable calculus, linear algebra, and differential equations; making connections with other areas of applied mathematics where parial differe

  17. A quantum informed continuum model for ferroelectric and flexoelectric materials

    Science.gov (United States)

    Oates, William S.

    2013-04-01

    Correlations between quantum mechanics and continuum mechanics are investigated by exploring relations based on the electron density and electrostatic forces within an atomic lattice in ferroelectric materials. Theoretically, it is shown that anisotropic stress is dependent upon electrostatic forces that originate from the quadrupole density. This relation is directly determined if the nuclear charge and electron density are known. The result is an extension of the Hellmann-Feynman theory used to quantify stresses based on electrostatics. Further, flexoelectricity is found to be proportional to the next two higher order poles. These relations are obtained by correlating a nucleus-nucleus potential and nucleus-electron potential with the deformation gradient and second order gradient. An example is given for barium titanate by solving the electron density using density function theory (DFT) calculations. Changes in energy and stress under different lattice geometric constraints are modeled and compared to nonlinear continuum mechanics to understand differences in formulating a model directly from DFT calculations versus a nonlinear continuum model that uses polarization versus the quadrupole density as the order parameter.

  18. Theoretical Analysis of a Modified Continuum Model

    Science.gov (United States)

    Ge, Hong-Xia; Wu, Shu-Zhen; Cheng, Rong-Jun; Lo, Siu-ming

    2011-09-01

    Based on the optimal velocity (OV) model, a new car-following model for traffic flow with the consideration of the driver's forecast effect (DFE) was proposed by Tang et al., which can be used to describe some complex traffic phenomena better. Using an asymptotic approximation between the headway and density, we obtain a new macro continuum version of the car-following model with the DFE. The linear stability theory is applied to derive the neutral stability condition. The Korteweg—de Vries equation near the neutral stability line is given by nonlinear analysis and the corresponding solution for the traffic density wave is derived.

  19. Continuum modeling an approach through practical examples

    CERN Document Server

    Muntean, Adrian

    2015-01-01

    This book develops continuum modeling skills and approaches the topic from three sides: (1) derivation of global integral laws together with the associated local differential equations, (2) design of constitutive laws and (3) modeling boundary processes. The focus of this presentation lies on many practical examples covering aspects such as coupled flow, diffusion and reaction in porous media or microwave heating of a pizza, as well as traffic issues in bacterial colonies and energy harvesting from geothermal wells. The target audience comprises primarily graduate students in pure and applied mathematics as well as working practitioners in engineering who are faced by nonstandard rheological topics like those typically arising in the food industry.

  20. Modelos contínuos do solvente: fundamentos Continuum solvation models: fundamentals

    Directory of Open Access Journals (Sweden)

    Josefredo R. Pliego Jr

    2006-06-01

    Full Text Available Continuum solvation models are nowadays widely used in the modeling of solvent effects and the range of applications goes from the calculation of partition coefficients to chemical reactions in solution. The present work presents a detailed explanation of the physical foundations of continuum models. We discuss the polarization of a dielectric and its representation through the volume and surface polarization charges. The Poisson equation for a dielectric was obtained and we have also derived and discuss the apparent surface charge method and its application for free energy of solvation calculations.

  1. On nonlocal modeling in continuum mechanics

    Directory of Open Access Journals (Sweden)

    Adam Martowicz

    2018-01-01

    Full Text Available The objective of the paper is to provide an overview of nonlocal formulations for models of elastic solids. The author presents the physical foundations for nonlocal theories of continuum mechanics, followed by various analytical and numerical techniques. The characteristics and range of practical applications for the presented approaches are discussed. The results of numerical simulations for the selected case studies are provided to demonstrate the properties of the described methods. The paper is illustrated with outcomes from peridynamic analyses. Fatigue and axial stretching were simulated to show the capabilities of the developed numerical tools.

  2. Multiple Temperature Model for Near Continuum Flows

    International Nuclear Information System (INIS)

    XU, Kun; Liu, Hongwei; Jiang, Jianzheng

    2007-01-01

    In the near continuum flow regime, the flow may have different translational temperatures in different directions. It is well known that for increasingly rarefied flow fields, the predictions from continuum formulation, such as the Navier-Stokes equations, lose accuracy. These inaccuracies may be partially due to the single temperature assumption in the Navier-Stokes equations. Here, based on the gas-kinetic Bhatnagar-Gross-Krook (BGK) equation, a multitranslational temperature model is proposed and used in the flow calculations. In order to fix all three translational temperatures, two constraints are additionally proposed to model the energy exchange in different directions. Based on the multiple temperature assumption, the Navier-Stokes relation between the stress and strain is replaced by the temperature relaxation term, and the Navier-Stokes assumption is recovered only in the limiting case when the flow is close to the equilibrium with the same temperature in different directions. In order to validate the current model, both the Couette and Poiseuille flows are studied in the transition flow regime

  3. Bursts and shocks in a continuum shell model

    DEFF Research Database (Denmark)

    Andersen, Ken Haste; Bohr, Tomas; Jensen, M.H.

    1998-01-01

    We study a burst event, i.e., the evolution of an initial condition having support only in a finite interval of k-space, in the continuum shell model due to Parisi. We show that the continuum equation without forcing or dissipation can be explicitly written in characteristic form and that the right...

  4. Shape Modeling of a Concentric-tube Continuum Robot

    DEFF Research Database (Denmark)

    Bai, Shaoping; Xing, Charles Chuhao

    2012-01-01

    Concentric-tube continuum robots feature with simple and compact structures and have a great potential in medical applications. The paper is concerned with the shape modeling of a type of concentric-tube continuum robot built with a collection of super-elastic NiTiNol tubes. The mechanics...

  5. Coupling discrete and continuum concentration particle models for multiscale and hybrid molecular-continuum simulations

    Science.gov (United States)

    Petsev, Nikolai D.; Leal, L. Gary; Shell, M. Scott

    2017-12-01

    Hybrid molecular-continuum simulation techniques afford a number of advantages for problems in the rapidly burgeoning area of nanoscale engineering and technology, though they are typically quite complex to implement and limited to single-component fluid systems. We describe an approach for modeling multicomponent hydrodynamic problems spanning multiple length scales when using particle-based descriptions for both the finely resolved (e.g., molecular dynamics) and coarse-grained (e.g., continuum) subregions within an overall simulation domain. This technique is based on the multiscale methodology previously developed for mesoscale binary fluids [N. D. Petsev, L. G. Leal, and M. S. Shell, J. Chem. Phys. 144, 084115 (2016)], simulated using a particle-based continuum method known as smoothed dissipative particle dynamics. An important application of this approach is the ability to perform coupled molecular dynamics (MD) and continuum modeling of molecularly miscible binary mixtures. In order to validate this technique, we investigate multicomponent hybrid MD-continuum simulations at equilibrium, as well as non-equilibrium cases featuring concentration gradients.

  6. Equivalent-Continuum Modeling With Application to Carbon Nanotubes

    Science.gov (United States)

    Odegard, Gregory M.; Gates, Thomas S.; Nicholson, Lee M.; Wise, Kristopher E.

    2002-01-01

    A method has been proposed for developing structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with equivalent-continuum models. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As important examples with direct application to the development and characterization of single-walled carbon nanotubes and the design of nanotube-based devices, the modeling technique has been applied to determine the effective-continuum geometry and bending rigidity of a graphene sheet. A representative volume element of the chemical structure of graphene has been substituted with equivalent-truss and equivalent continuum models. As a result, an effective thickness of the continuum model has been determined. This effective thickness has been shown to be significantly larger than the interatomic spacing of graphite. The effective thickness has been shown to be significantly larger than the inter-planar spacing of graphite. The effective bending rigidity of the equivalent-continuum model of a graphene sheet was determined by equating the vibrational potential energy of the molecular model of a graphene sheet subjected to cylindrical bending with the strain energy of an equivalent continuum plate subjected to cylindrical bending.

  7. The continuum shell-model neutron states of Pb

    Indian Academy of Sciences (India)

    model states with the collective vibrational states from giant resonances. The particle-vibration coupling model can be applied to understand the spreading pattern of the shell-model states lying in continuum region. The single-particle states are ...

  8. Buckling of graded coatings: A continuum model

    Science.gov (United States)

    Chiu, Tz-Cheng

    2000-12-01

    Requirements for the protection of hot section components in many high temperature applications such as earth-to-orbit winged planes and advanced turbine systems have led to the application of thermal barrier coatings (TBCs) that utilize ceramic coatings on metal substrates. An alternative concept to homogeneous ceramic coatings is the functionally graded materials (FGM) in which the composition of the coating is intentionally graded to improve the bonding strength and to reduce the magnitude of the residual and thermal stresses. A widely observed failure mode in such layered systems is known to be interface cracking that leads to spallation fracture. In most cases, the final stage of the failure process for a thin coating appears to be due to buckling instability under thermally or mechanically induced compressive stress. The objective of this study is to develop a solution to the buckling instability problem by using continuum elasticity rather than a structural mechanics approach. The emphasis in the solution will be on the investigation of the effect of material inhomogeneity in graded coatings on the instability load, the postbuckling behavior, and fracture mechanics parameters such as the stress intensity factors and strain energy release rate. In this analysis, a nonlinear continuum theory is employed to examine the interface crack problem. The analytical solution of the instability problem permits the study of the effect of material inhomogeneity upon the inception of buckling and establishes benchmark results for the numerical solutions of related problems. To study the postbuckling behavior and to calculate the stress intensity factors and strain energy release rate a geometrically nonlinear finite element procedure with enriched crack-tip element is developed. Both plane strain and axisymmetric interface crack problems in TBCs with either homogeneous or graded coating are then considered by using the finite element procedure. It is assumed that the

  9. Resonance and continuum Gamow shell model with realistic nuclear forces

    Science.gov (United States)

    Sun, Z. H.; Wu, Q.; Zhao, Z. H.; Hu, B. S.; Dai, S. J.; Xu, F. R.

    2017-06-01

    Starting from realistic nuclear forces, we have developed a core Gamow shell model which can describe resonance and continuum properties of loosely-bound or unbound nuclear systems. To describe properly resonance and continuum, the Berggren representation has been employed, which treats bound, resonant and continuum states on equal footing in a complex-momentum (complex-k) plane. To derive the model-space effective interaction based on realistic forces, the full Q ˆ -box folded-diagram renormalization has been, for the first time, extended to the nondegenerate complex-k space. The CD-Bonn potential is softened by using the Vlow-k method. Choosing 16O as the inert core, we have calculated sd-shell neutron-rich oxygen isotopes, giving good descriptions of both bound and resonant states. The isotopes 25,26O are calculated to be resonant even in their ground states.

  10. Interface of the polarizable continuum model of solvation with semi-empirical methods in the GAMESS program

    DEFF Research Database (Denmark)

    Svendsen, Casper Steinmann; Blædel, Kristoffer L.; Christensen, Anders Steen

    2013-01-01

    An interface between semi-empirical methods and the polarized continuum model (PCM) of solvation successfully implemented into GAMESS following the approach by Chudinov et al (Chem. Phys. 1992, 160, 41). The interface includes energy gradients and is parallelized. For large molecules...

  11. Proposed higher order continuum-based models for an elastic ...

    African Journals Online (AJOL)

    Three new variants of continuum-based models for an elastic subgrade are proposed. The subgrade is idealized as a homogenous, isotropic elastic layer of thickness H overlying a firm stratum. All components of the stress tensor in the subgrade are taken into account. Reasonable assumptions are made regarding the ...

  12. A Geometry Deformation Model for Braided Continuum Manipulators

    Directory of Open Access Journals (Sweden)

    S. M. Hadi Sadati

    2017-06-01

    Full Text Available Continuum manipulators have gained significant attention in the robotic community due to their high dexterity, deformability, and reachability. Modeling of such manipulators has been shown to be very complex and challenging. Despite many research attempts, a general and comprehensive modeling method is yet to be established. In this paper, for the first time, we introduce the bending effect in the model of a braided extensile pneumatic actuator with both stiff and bendable threads. Then, the effect of the manipulator cross-section deformation on the constant curvature and variable curvature models is investigated using simple analytical results from a novel geometry deformation method and is compared to experimental results. We achieve 38% mean reference error simulation accuracy using our constant curvature model for a braided continuum manipulator in presence of body load and 10% using our variable curvature model in presence of extensive external loads. With proper model assumptions and taking to account the cross-section deformation, a 7–13% increase in the simulation mean error accuracy is achieved compared to a fixed cross-section model. The presented models can be used for the exact modeling and design optimization of compound continuum manipulators by providing an analytical tool for the sensitivity analysis of the manipulator performance. Our main aim is the application in minimal invasive manipulation with limited workspaces and manipulators with regional tunable stiffness in their cross section.

  13. Continuum Modeling of Biological Network Formation

    KAUST Repository

    Albi, Giacomo

    2017-04-10

    We present an overview of recent analytical and numerical results for the elliptic–parabolic system of partial differential equations proposed by Hu and Cai, which models the formation of biological transportation networks. The model describes the pressure field using a Darcy type equation and the dynamics of the conductance network under pressure force effects. Randomness in the material structure is represented by a linear diffusion term and conductance relaxation by an algebraic decay term. We first introduce micro- and mesoscopic models and show how they are connected to the macroscopic PDE system. Then, we provide an overview of analytical results for the PDE model, focusing mainly on the existence of weak and mild solutions and analysis of the steady states. The analytical part is complemented by extensive numerical simulations. We propose a discretization based on finite elements and study the qualitative properties of network structures for various parameter values.

  14. Non compact continuum limit of two coupled Potts models

    International Nuclear Information System (INIS)

    Vernier, Éric; Jacobsen, Jesper Lykke; Saleur, Hubert

    2014-01-01

    We study two Q-state Potts models coupled by the product of their energy operators, in the regime 2  3 (2) vertex model. It corresponds to a selfdual system of two antiferromagnetic Potts models, coupled ferromagnetically. We derive the Bethe ansatz equations and study them numerically for two arbitrary twist angles. The continuum limit is shown to involve two compact bosons and one non compact boson, with discrete states emerging from the continuum at appropriate twists. The non compact boson entails strong logarithmic corrections to the finite-size behaviour of the scaling levels, an understanding of which allows us to correct an earlier proposal for some of the critical exponents. In particular, we infer the full set of magnetic scaling dimensions (watermelon operators) of the Potts model. (paper)

  15. A continuum model for hierarchical fibril assembly

    Science.gov (United States)

    van Lith, B. S.; Muntean, A.; Storm, C.

    2014-06-01

    Most of the biological polymers that make up our cells and tissues are hierarchically structured. For biopolymers ranging from collagen, to actin, to fibrin and amyloid fibrils this hierarchy provides vitally important versatility. The structural hierarchy must be encoded in the self-assembly process, from the earliest stages onward, in order to produce the appropriate substructures. In this letter, we explore the kinetics of multistage self-assembly processes in a model system which allows comparison to bulk probes such as light scattering. We apply our model to recent turbidimetry data on the self-assembly of collagen fibrils. Our analysis suggests a connection between diffusion-limited aggregation kinetics and fibril growth, supported by slow, power-law growth at very long time scales.

  16. Continuum modeling of boron nitride nanotubes

    International Nuclear Information System (INIS)

    Song, J; Wu, J; Hwang, K C; Huang, Y

    2008-01-01

    Boron nitride nanotubes display unique properties and have many potential applications. A finite-deformation shell theory is developed for boron nitride nanotubes directly from the interatomic potential to account for the effect of bending and curvature. Its constitutive relation accounts for the nonlinear, multi-body atomistic interactions, and therefore can model the important effect of tube chirality and radius. The theory is then used to determine whether a single-wall boron nitride nanotube can be modeled as a linear elastic isotropic shell. Instabilities of boron nitride nanotubes under different loadings (e.g., tension, compression, and torsion) are also studied. It is shown that the tension instability of boron nitride nanotubes is material instability, while the compression and torsion instabilities are structural instabilities.

  17. Continuum modeling and numerical simulation of cell motility.

    Science.gov (United States)

    Hodge, Neil; Papadopoulos, Panayiotis

    2012-06-01

    This work proposes a continuum-mechanical model of cell motility which accounts for the dynamics of motility-relevant protein species. For the special case of fish epidermal keratocytes, the stress and cell-substrate traction responses are postulated to depend on selected protein densities in accordance with the structural features of the cells. A one-dimensional version of the model is implemented using Arbitrary Lagrangian-Eulerian finite elements in conjunction with Lagrange multipliers for the treatment of kinematic constraints related to surface growth. Representative numerical tests demonstrate the capacity of the proposed model to simulate stationary and steady crawling states.

  18. Nebular Continuum and Line Emission in Stellar Population Synthesis Models

    Science.gov (United States)

    Byler, Nell; Dalcanton, Julianne J.; Conroy, Charlie; Johnson, Benjamin D.

    2017-05-01

    Accounting for nebular emission when modeling galaxy spectral energy distributions (SEDs) is important, as both line and continuum emissions can contribute significantly to the total observed flux. In this work, we present a new nebular emission model integrated within the Flexible Stellar Population Synthesis code that computes the line and continuum emission for complex stellar populations using the photoionization code Cloudy. The self-consistent coupling of the nebular emission to the matched ionizing spectrum produces emission line intensities that correctly scale with the stellar population as a function of age and metallicity. This more complete model of galaxy SEDs will improve estimates of global gas properties derived with diagnostic diagrams, star formation rates based on Hα, and physical properties derived from broadband photometry. Our models agree well with results from other photoionization models and are able to reproduce observed emission from H II regions and star-forming galaxies. Our models show improved agreement with the observed H II regions in the Ne III/O II plane and show satisfactory agreement with He II emission from z = 2 galaxies, when including rotating stellar models. Models including post-asymptotic giant branch stars are able to reproduce line ratios consistent with low-ionization emission regions. The models are integrated into current versions of FSPS and include self-consistent nebular emission predictions for MIST and Padova+Geneva evolutionary tracks.

  19. From cells to tissue: A continuum model of epithelial mechanics

    Science.gov (United States)

    Ishihara, Shuji; Marcq, Philippe; Sugimura, Kaoru

    2017-08-01

    A two-dimensional continuum model of epithelial tissue mechanics was formulated using cellular-level mechanical ingredients and cell morphogenetic processes, including cellular shape changes and cellular rearrangements. This model incorporates stress and deformation tensors, which can be compared with experimental data. Focusing on the interplay between cell shape changes and cell rearrangements, we elucidated dynamical behavior underlying passive relaxation, active contraction-elongation, and tissue shear flow, including a mechanism for contraction-elongation, whereby tissue flows perpendicularly to the axis of cell elongation. This study provides an integrated scheme for the understanding of the orchestration of morphogenetic processes in individual cells to achieve epithelial tissue morphogenesis.

  20. Coupling of nonlocal and local continuum models by the Arlequinapproach

    KAUST Repository

    Han, Fei

    2011-08-09

    The objective of this work is to develop and apply the Arlequin framework to couple nonlocal and local continuum mechanical models. A mechanically-based model of nonlocal elasticity, which involves both contact and long-range forces, is used for the \\'fine scale\\' description in which nonlocal interactions are considered to have non-negligible effects. Classical continuum mechanics only involving local contact forces is introduced for the rest of the structure where these nonlocal effects can be neglected. Both models overlap in a coupling subdomain called the \\'gluing area\\' in which the total energy is separated into nonlocal and local contributions by complementary weight functions. A weak compatibility is ensured between kinematics of both models using Lagrange multipliers over the gluing area. The discrete formulation of this specific Arlequin coupling framework is derived and fully described. The validity and limits of the technique are demonstrated through two-dimensional numerical applications and results are compared against those of the fully nonlocal elasticity method. © 2011 John Wiley & Sons, Ltd.

  1. Continuum kinetic modeling of the tokamak plasma edge

    Energy Technology Data Exchange (ETDEWEB)

    Dorf, M. A.; Dorr, M. R.; Hittinger, J. A.; Rognlien, T. D. [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States); Cohen, R. H. [CompX, P.O. Box 2672, Del Mar, California 92014 (United States)

    2016-05-15

    The first 4D (axisymmetric) high-order continuum gyrokinetic transport simulations that span the magnetic separatrix of a tokamak are presented. The modeling is performed with the COGENT code, which is distinguished by fourth-order finite-volume discretization combined with mapped multiblock grid technology to handle the strong anisotropy of plasma transport and the complex X-point divertor geometry with high accuracy. The calculations take into account the effects of fully nonlinear Fokker-Plank collisions, electrostatic potential variations, and anomalous radial transport. Topics discussed include: (a) ion orbit loss and the associated toroidal rotation and (b) edge plasma relaxation in the presence of anomalous radial transport.

  2. Interface of the polarizable continuum model of solvation with semi-empirical methods in the GAMESS program

    DEFF Research Database (Denmark)

    Svendsen, Casper Steinmann; Blædel, Kristoffer; Christensen, Anders S

    2013-01-01

    An interface between semi-empirical methods and the polarized continuum model (PCM) of solvation successfully implemented into GAMESS following the approach by Chudinov et al (Chem. Phys. 1992, 160, 41). The interface includes energy gradients and is parallelized. For large molecules such as ubiq......An interface between semi-empirical methods and the polarized continuum model (PCM) of solvation successfully implemented into GAMESS following the approach by Chudinov et al (Chem. Phys. 1992, 160, 41). The interface includes energy gradients and is parallelized. For large molecules...... such as ubiquitin a reasonable speedup (up to a factor of six) is observed for up to 16 cores. The SCF convergence is greatly improved by PCM for proteins compared to the gas phase....

  3. Computational modeling of brain tumors: discrete, continuum or hybrid?

    Science.gov (United States)

    Wang, Zhihui; Deisboeck, Thomas S.

    In spite of all efforts, patients diagnosed with highly malignant brain tumors (gliomas), continue to face a grim prognosis. Achieving significant therapeutic advances will also require a more detailed quantitative understanding of the dynamic interactions among tumor cells, and between these cells and their biological microenvironment. Data-driven computational brain tumor models have the potential to provide experimental tumor biologists with such quantitative and cost-efficient tools to generate and test hypotheses on tumor progression, and to infer fundamental operating principles governing bidirectional signal propagation in multicellular cancer systems. This review highlights the modeling objectives of and challenges with developing such in silico brain tumor models by outlining two distinct computational approaches: discrete and continuum, each with representative examples. Future directions of this integrative computational neuro-oncology field, such as hybrid multiscale multiresolution modeling are discussed.

  4. An improved second-order continuum traffic model

    Science.gov (United States)

    Marques, W., Jr.; Velasco, R. M.

    2010-02-01

    We construct a second-order continuum traffic model by using an iterative procedure in order to derive a constitutive relation for the traffic pressure which is similar to the Navier-Stokes equation for ordinary fluids. Our second-order traffic model represents an improvement on the traffic model suggested by Kerner and Konhäuser since the iterative procedure introduces, in the constitutive relation for the traffic pressure, a density-dependent viscosity coefficient. By using a finite-difference scheme based on the Steger-Warming flux splitting, we investigate the solution of our improved second-order traffic model for specific problems like shock fronts in traffic and freeway-lane drop.

  5. An improved second-order continuum traffic model

    International Nuclear Information System (INIS)

    Marques, W Jr; Velasco, R M

    2010-01-01

    We construct a second-order continuum traffic model by using an iterative procedure in order to derive a constitutive relation for the traffic pressure which is similar to the Navier–Stokes equation for ordinary fluids. Our second-order traffic model represents an improvement on the traffic model suggested by Kerner and Konhäuser since the iterative procedure introduces, in the constitutive relation for the traffic pressure, a density-dependent viscosity coefficient. By using a finite-difference scheme based on the Steger–Warming flux splitting, we investigate the solution of our improved second-order traffic model for specific problems like shock fronts in traffic and freeway-lane drop

  6. Fractal continuum model for tracer transport in a porous medium.

    Science.gov (United States)

    Herrera-Hernández, E C; Coronado, M; Hernández-Coronado, H

    2013-12-01

    A model based on the fractal continuum approach is proposed to describe tracer transport in fractal porous media. The original approach has been extended to treat tracer transport and to include systems with radial and uniform flow, which are cases of interest in geoscience. The models involve advection due to the fluid motion in the fractal continuum and dispersion whose mathematical expression is taken from percolation theory. The resulting advective-dispersive equations are numerically solved for continuous and for pulse tracer injection. The tracer profile and the tracer breakthrough curve are evaluated and analyzed in terms of the fractal parameters. It has been found in this work that anomalous transport frequently appears, and a condition on the fractal parameter values to predict when sub- or superdiffusion might be expected has been obtained. The fingerprints of fractality on the tracer breakthrough curve in the explored parameter window consist of an early tracer breakthrough and long tail curves for the spherical and uniform flow cases, and symmetric short tailed curves for the radial flow case.

  7. A Cyclical Approach to Continuum Modeling: A Conceptual Model of Diabetic Foot Care

    Directory of Open Access Journals (Sweden)

    Martha L. Carvour

    2017-12-01

    Full Text Available “Cascade” or “continuum” models have been developed for a number of diseases and conditions. These models define the desired, successive steps in care for that disease or condition and depict the proportion of the population that has completed each step. These models may be used to compare care across subgroups or populations and to identify and evaluate interventions intended to improve outcomes on the population level. Previous cascade or continuum models have been limited by several factors. These models are best suited to processes with stepwise outcomes—such as screening, diagnosis, and treatment—with a single defined outcome (e.g., treatment or cure for each member of the population. However, continuum modeling is not well developed for complex processes with non-sequential or recurring steps or those without singular outcomes. As shown here using the example of diabetic foot care, the concept of continuum modeling may be re-envisioned with a cyclical approach. Cyclical continuum modeling may permit incorporation of non-sequential and recurring steps into a single continuum, while recognizing the presence of multiple desirable outcomes within the population. Cyclical models may simultaneously represent the distribution of clinical severity and clinical resource use across a population, thereby extending the benefits of traditional continuum models to complex processes for which population-based monitoring is desired. The models may also support communication with other stakeholders in the process of care, including health care providers and patients.

  8. Traveling waves in a continuum model of 1D schools

    Science.gov (United States)

    Oza, Anand; Kanso, Eva; Shelley, Michael

    2017-11-01

    We construct and analyze a continuum model of a 1D school of flapping swimmers. Our starting point is a delay differential equation that models the interaction between a swimmer and its upstream neighbors' wakes, which is motivated by recent experiments in the Applied Math Lab at NYU. We coarse-grain the evolution equations and derive PDEs for the swimmer density and variables describing the upstream wake. We study the equations both analytically and numerically, and find that a uniform density of swimmers destabilizes into a traveling wave. Our model makes a number of predictions about the properties of such traveling waves, and sheds light on the role of hydrodynamics in mediating the structure of swimming schools.

  9. Dielectric relaxation of cytochrome c oxidase: Comparison of the microscopic and continuum models.

    Science.gov (United States)

    Leontyev, I V; Stuchebrukhov, A A

    2009-02-28

    We have studied a charge-insertion process that models the deprotonation of a histidine side chain in the active site of cytochrome c oxidase (CcO) using both the continuum electrostatic calculations and the microscopic simulations. The group of interest is a ligand to Cu(B) center of CcO, which has been previously suggested to play the role of the proton pumping element in the enzyme; the group is located near a large internal water cavity in the protein. Using the nonpolarizable Amber-99 force field in molecular dynamics (MD) simulations, we have calculated the nuclear part of the reaction-field energy of charging of the His group and combined it with the electronic part, which we estimated in terms of the electronic continuum (EC) model, to obtain the total reaction-field energy of charging. The total free energy obtained in this MDEC approach was then compared with that calculated using pure continuum electrostatic model with variable dielectric parameters. The dielectric constant for the "dry" protein and that of the internal water cavity of CcO were determined as those parameters that provide best agreement between the continuum and microscopic MDEC model. The nuclear (MD) polarization alone (without electronic part) of a dry protein was found to correspond to an unphysically low dielectric constant of only about 1.3, whereas the inclusion of electronic polarizability increases the protein dielectric constant to 2.6-2.8. A detailed analysis is presented as to how the protein structure should be selected for the continuum calculations, as well as which probe and atomic radii should be used for cavity definition. The dielectric constant of the internal water cavity was found to be 80 or even higher using "standard" parameters of water probe radius, 1.4 A, and protein atomic radii from the MD force field for cavity description; such high values are ascribed to the fact that the standard procedure produces unphysically small cavities. Using x-ray data for

  10. Combined discrete particle and continuum model predicting solid-state fermentation in a drum fermentor

    NARCIS (Netherlands)

    Schutyser, M.A.I.; Schutyser, M.A.I.; Briels, Willem J.; Boom, R.M.; Boom, R.M.; Rinzema, A.

    2004-01-01

    The development of mathematical models facilitates industrial (large-scale) application of solid-state fermentation (SSF). In this study, a two-phase model of a drum fermentor is developed that consists of a discrete particle model (solid phase) and a continuum model (gas phase). The continuum model

  11. Numerical Modelling and Damage Assessment of Rotary Wing Aircraft Cabin Door Using Continuum Damage Mechanics Model

    Science.gov (United States)

    Boyina, Gangadhara Rao T.; Rayavarapu, Vijaya Kumar; V. V., Subba Rao

    2017-02-01

    The prediction of ultimate strength remains the main challenge in the simulation of the mechanical response of composite structures. This paper examines continuum damage model to predict the strength and size effects for deformation and failure response of polymer composite laminates when subjected to complex state of stress. The paper also considers how the overall results of the exercise can be applied in design applications. The continuum damage model is described and the resulting prediction of size effects are compared against the standard benchmark solutions. The stress analysis for strength prediction of rotary wing aircraft cabin door is carried out. The goal of this study is to extend the proposed continuum damage model such that it can be accurately predict the failure around stress concentration regions. The finite element-based continuum damage mechanics model can be applied to the structures and components of arbitrary configurations where analytical solutions could not be developed.

  12. Continuum damage modeling through theoretical and experimental pressure limit formulas

    Directory of Open Access Journals (Sweden)

    Fatima Majid

    2018-01-01

    Full Text Available In this paper, we developed a mathematical modeling to represent the damage of thermoplastic pipes. On the one hand, we adapted the theories of the rupture pressure to fit the High Density Polyethylene (HDPE case. Indeed, the theories for calculating the rupture pressure are multiple, designed originally for steels and alloys. For polymer materials, we have found that these theories can be adapted using a coefficient related to the nature of the studied material. The HDPE is characterized by two important values of pressure, deduced from the ductile form of the internal pressures evolution until burst. For this reason, we have designed an alpha coefficient taking into account these two pressures and giving a good approximation of the evolution of the experimental burst pressures through the theoretically corrected ones, using Faupel㒒s pressure formula. Then, we can deduce the evolution of the theoretical damage using the calculated pressures. On the other hand, two other mathematical models were undertaken. The first one has given rise to an adaptive model referring to an expression of the pressure as a function of the life fraction, the characteristic pressures and the critical life fraction. The second model represents a continuum damage model incorporating the pressure equations as a function of the life fraction and based on the burst pressure�s static damage model. These models represent important tools for industrials to assess the failure of thermoplastic pipes and proceed quick checks

  13. A continuum model for meltwater flow through compacting snow

    Science.gov (United States)

    Meyer, Colin R.; Hewitt, Ian J.

    2017-12-01

    Meltwater is produced on the surface of glaciers and ice sheets when the seasonal energy forcing warms the snow to its melting temperature. This meltwater percolates into the snow and subsequently runs off laterally in streams, is stored as liquid water, or refreezes, thus warming the subsurface through the release of latent heat. We present a continuum model for the percolation process that includes heat conduction, meltwater percolation and refreezing, as well as mechanical compaction. The model is forced by surface mass and energy balances, and the percolation process is described using Darcy's law, allowing for both partially and fully saturated pore space. Water is allowed to run off from the surface if the snow is fully saturated. The model outputs include the temperature, density, and water-content profiles and the surface runoff and water storage. We compare the propagation of freezing fronts that occur in the model to observations from the Greenland Ice Sheet. We show that the model applies to both accumulation and ablation areas and allows for a transition between the two as the surface energy forcing varies. The largest average firn temperatures occur at intermediate values of the surface forcing when perennial water storage is predicted.

  14. Continuum damage modeling and simulation of hierarchical dental enamel

    Science.gov (United States)

    Ma, Songyun; Scheider, Ingo; Bargmann, Swantje

    2016-05-01

    Dental enamel exhibits high fracture toughness and stiffness due to a complex hierarchical and graded microstructure, optimally organized from nano- to macro-scale. In this study, a 3D representative volume element (RVE) model is adopted to study the deformation and damage behavior of the fibrous microstructure. A continuum damage mechanics model coupled to hyperelasticity is developed for modeling the initiation and evolution of damage in the mineral fibers as well as protein matrix. Moreover, debonding of the interface between mineral fiber and protein is captured by employing a cohesive zone model. The dependence of the failure mechanism on the aspect ratio of the mineral fibers is investigated. In addition, the effect of the interface strength on the damage behavior is studied with respect to geometric features of enamel. Further, the effect of an initial flaw on the overall mechanical properties is analyzed to understand the superior damage tolerance of dental enamel. The simulation results are validated by comparison to experimental data from micro-cantilever beam testing at two hierarchical levels. The transition of the failure mechanism at different hierarchical levels is also well reproduced in the simulations.

  15. A Compendium of AGN inclinations with corresponding UV/optical continuum polarization measurements

    Czech Academy of Sciences Publication Activity Database

    Marin, Frederic

    2014-01-01

    Roč. 441, č. 1 (2014), s. 551-564 ISSN 0035-8711 Grant - others:ANR(FR) JS56-013-01; EU(XE) COST Action MP1104 Institutional support: RVO:67985815 Keywords : polarization * active galacticnuclei * radiative transfer Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 5.107, year: 2014

  16. Outdoor Program Models: Placing Cooperative Adventure and Adventure Education Models on the Continuum.

    Science.gov (United States)

    Guthrie, Steven P.

    In two articles on outdoor programming models, Watters distinguished four models on a continuum ranging from the common adventure model, with minimal organizational structure and leadership control, to the guide service model, in which leaders are autocratic and trips are highly structured. Club programs and instructional programs were in between,…

  17. Nonlinear modeling of crystal system transition of black phosphorus using continuum-DFT model

    Science.gov (United States)

    Setoodeh, A. R.; Farahmand, H.

    2018-01-01

    In this paper, the nonlinear behavior of black phosphorus crystals is investigated in tandem with dispersion-corrected density functional theory (DFT-D) analysis under uniaxial loadings. From the identified anisotropic behavior of black phosphorus due to its morphological anisotropy, a hyperelastic anisotropic (HA) model named continuum-DFT is established to predict the nonlinear behavior of the material. In this respect, uniaxial Cauchy stresses are employed on both the DFT-D and HA models along the zig-zag and armchair directions. Simultaneously, the transition of the crystal system is recognized at about 4.5 GPa of the applied uniaxial tensile stress along the zig-zag direction on the DFT-D simulation in the nonlinear region. In order to develop the nonlinear continuum model, unknown constants are surveyed with the optimized least square technique. In this regard, the continuum model is obtained to reproduce the Cauchy stress–stretch and density of strain–stretch results of the DFT-D simulation. Consequently, the modified HA model is introduced to characterize the nonlinear behavior of black phosphorus along the zig-zag direction. More importantly, the specific transition of the crystal system is successfully predicted in the new modified continuum-DFT model. The results reveal that the multiscale continuum-DFT model is well defined to replicate the nonlinear behavior of black phosphorus along the zig-zag and armchair directions.

  18. Nonlinear modeling of crystal system transition of black phosphorus using continuum-DFT model.

    Science.gov (United States)

    Setoodeh, A R; Farahmand, H

    2018-01-24

    In this paper, the nonlinear behavior of black phosphorus crystals is investigated in tandem with dispersion-corrected density functional theory (DFT-D) analysis under uniaxial loadings. From the identified anisotropic behavior of black phosphorus due to its morphological anisotropy, a hyperelastic anisotropic (HA) model named continuum-DFT is established to predict the nonlinear behavior of the material. In this respect, uniaxial Cauchy stresses are employed on both the DFT-D and HA models along the zig-zag and armchair directions. Simultaneously, the transition of the crystal system is recognized at about 4.5 GPa of the applied uniaxial tensile stress along the zig-zag direction on the DFT-D simulation in the nonlinear region. In order to develop the nonlinear continuum model, unknown constants are surveyed with the optimized least square technique. In this regard, the continuum model is obtained to reproduce the Cauchy stress-stretch and density of strain-stretch results of the DFT-D simulation. Consequently, the modified HA model is introduced to characterize the nonlinear behavior of black phosphorus along the zig-zag direction. More importantly, the specific transition of the crystal system is successfully predicted in the new modified continuum-DFT model. The results reveal that the multiscale continuum-DFT model is well defined to replicate the nonlinear behavior of black phosphorus along the zig-zag and armchair directions.

  19. Continuum model for chiral induced spin selectivity in helical molecules

    Energy Technology Data Exchange (ETDEWEB)

    Medina, Ernesto [Centro de Física, Instituto Venezolano de Investigaciones Científicas, 21827, Caracas 1020 A (Venezuela, Bolivarian Republic of); Groupe de Physique Statistique, Institut Jean Lamour, Université de Lorraine, 54506 Vandoeuvre-les-Nancy Cedex (France); Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona 85287 (United States); González-Arraga, Luis A. [IMDEA Nanoscience, Cantoblanco, 28049 Madrid (Spain); Finkelstein-Shapiro, Daniel; Mujica, Vladimiro [Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona 85287 (United States); Berche, Bertrand [Centro de Física, Instituto Venezolano de Investigaciones Científicas, 21827, Caracas 1020 A (Venezuela, Bolivarian Republic of); Groupe de Physique Statistique, Institut Jean Lamour, Université de Lorraine, 54506 Vandoeuvre-les-Nancy Cedex (France)

    2015-05-21

    A minimal model is exactly solved for electron spin transport on a helix. Electron transport is assumed to be supported by well oriented p{sub z} type orbitals on base molecules forming a staircase of definite chirality. In a tight binding interpretation, the spin-orbit coupling (SOC) opens up an effective π{sub z} − π{sub z} coupling via interbase p{sub x,y} − p{sub z} hopping, introducing spin coupled transport. The resulting continuum model spectrum shows two Kramers doublet transport channels with a gap proportional to the SOC. Each doubly degenerate channel satisfies time reversal symmetry; nevertheless, a bias chooses a transport direction and thus selects for spin orientation. The model predicts (i) which spin orientation is selected depending on chirality and bias, (ii) changes in spin preference as a function of input Fermi level and (iii) back-scattering suppression protected by the SO gap. We compute the spin current with a definite helicity and find it to be proportional to the torsion of the chiral structure and the non-adiabatic Aharonov-Anandan phase. To describe room temperature transport, we assume that the total transmission is the result of a product of coherent steps.

  20. Validation of a Perturbed-Continuum Model for Shear Localization

    National Research Council Canada - National Science Library

    Iyer, K; Schoenfeld, S; Casem, D; Wright, T

    2004-01-01

    .... Experiments and continuum analysis (Wright, 2002) have shown sudden stress collapse via shear localization may be related to velocity or strain rate perturbations in the vicinity of shear band initiation...

  1. Aggregation patterns from nonlocal interactions: Discrete stochastic and continuum modeling

    KAUST Repository

    Hackett-Jones, Emily J.

    2012-04-17

    Conservation equations governed by a nonlocal interaction potential generate aggregates from an initial uniform distribution of particles. We address the evolution and formation of these aggregating steady states when the interaction potential has both attractive and repulsive singularities. Currently, no existence theory for such potentials is available. We develop and compare two complementary solution methods, a continuous pseudoinverse method and a discrete stochastic lattice approach, and formally show a connection between the two. Interesting aggregation patterns involving multiple peaks for a simple doubly singular attractive-repulsive potential are determined. For a swarming Morse potential, characteristic slow-fast dynamics in the scaled inverse energy is observed in the evolution to steady state in both the continuous and discrete approaches. The discrete approach is found to be remarkably robust to modifications in movement rules, related to the potential function. The comparable evolution dynamics and steady states of the discrete model with the continuum model suggest that the discrete stochastic approach is a promising way of probing aggregation patterns arising from two- and three-dimensional nonlocal interaction conservation equations. © 2012 American Physical Society.

  2. PREFACE: Continuum Models and Discrete Systems Symposia (CMDS-12)

    Science.gov (United States)

    Chakrabarti, Bikas K.

    2011-09-01

    The 12th International Symposium on Continuum Models and Discrete Systems (CMDS-12) (http://www.saha.ac.in/cmp/cmds.12/) took place at the Saha Institute of Nuclear Physics in Kolkata from 21-25 February 2011. Previous CMDS symposia were held in Kielce (Poland, 1975), Mont Gabriel (Canada, 1977), Freudenstadt (Federal Republic of Germany, 1979), Stockholm (Sweden, 1981), Nottingham (United Kingdom, 1985), Dijon (France, 1989), Paderborn (Germany, 1992), Varna (Bulgaria, 1995), Istanbul (Turkey, 1998), Shoresh (Israel, 2003) and Paris (France, 2007). The broad interdisciplinary character, limited number of participants (not exceeding 100) and informal and friendly atmosphere of these meetings has made them a well-acknowledged place to make highly fruitful contacts and exchange ideas, methods and results. The purpose of CMDS is to bring together scientists with different backgrounds who work on continuum theories of discrete mechanical and thermodynamical systems in the fields of mathematics, theoretical and applied mechanics, physics, material science, and engineering. The spirit of the CMDS meetings is to stimulate extensive and active interdisciplinary research. The International Scientific Committee members of this conference were: David J Bergman (Chairman CMDS 10), Tel Aviv University, Israel; Bikas K Chakrabarti (Chairman CMDS 12), Saha Institute of Nuclear Physics, India; Alex Hansen, Norwegian University of Science and Technology, Norway; Hans Jürgen Herrmann, Institute for Building Materials, ETH, Switzerland; Esin Inan (Chairman CMDS 9), Istanbul Technical University, Turkey; Dominique Jeulin (Chairman CMDS 11), Ecole des Mines de Paris, France; Frank Juelicher, Max-Planck-Institute for the Physics of Complex Systems, Germany; Hikaru Kawamura, University of Osaka, Japan; Graeme Milton, University of Utah, USA; Natalia Movchan, University of Liverpool, UK; and Ping Sheng, The Hong Kong University of Science and Technology, Hong Kong. At CMDS-12 the topics

  3. Modeling optical and UV polarization of AGNs. IV. Polarization timing

    Science.gov (United States)

    Rojas Lobos, P. A.; Goosmann, R. W.; Marin, F.; Savić, D.

    2018-03-01

    Context. Optical observations cannot resolve the structure of active galactic nuclei (AGN), and a unified model for AGN was inferred mostly from indirect methods, such as spectroscopy and variability studies. Optical reverberation mapping allowed us to constrain the spatial dimension of the broad emission line region and thereby to measure the mass of supermassive black holes. Recently, reverberation was also applied to the polarized signal emerging from different AGN components. In principle, this should allow us to measure the spatial dimensions of the sub-parsec reprocessing media. Aim. We conduct numerical modeling of polarization reverberation and provide theoretical predictions for the polarization time lag induced by different AGN components. The model parameters are adjusted to the observational appearance of the Seyfert 1 galaxy NGC 4151. Methods: We modeled scattering-induced polarization and tested different geometries for the circumnuclear dust component. Our tests included the effects of clumpiness and different dust prescriptions. To further extend the model, we also explored the effects of additional ionized winds stretched along the polar direction, and of an equatorial scattering ring that is responsible for the polarization angle observed in pole-on AGN. The simulations were run using a time-dependent version of the STOKES code. Results: Our modeling confirms the previously found polarization characteristics as a function of the observer`s viewing angle. When the dust adopts a flared-disk geometry, the lags reveal a clear difference between type 1 and type 2 AGN. This distinction is less clear for a torus geometry where the time lag is more sensitive to the geometry and optical depth of the inner surface layers of the funnel. The presence of a scattering equatorial ring and ionized outflows increased the recorded polarization time lags, and the polar outflows smooths out dependence on viewing angle, especially for the higher optical depth of the

  4. Update of the Polar SWIFT model for polar stratospheric ozone loss (Polar SWIFT version 2)

    Science.gov (United States)

    Wohltmann, Ingo; Lehmann, Ralph; Rex, Markus

    2017-07-01

    The Polar SWIFT model is a fast scheme for calculating the chemistry of stratospheric ozone depletion in polar winter. It is intended for use in global climate models (GCMs) and Earth system models (ESMs) to enable the simulation of mutual interactions between the ozone layer and climate. To date, climate models often use prescribed ozone fields, since a full stratospheric chemistry scheme is computationally very expensive. Polar SWIFT is based on a set of coupled differential equations, which simulate the polar vortex-averaged mixing ratios of the key species involved in polar ozone depletion on a given vertical level. These species are O3, chemically active chlorine (ClOx), HCl, ClONO2 and HNO3. The only external input parameters that drive the model are the fraction of the polar vortex in sunlight and the fraction of the polar vortex below the temperatures necessary for the formation of polar stratospheric clouds. Here, we present an update of the Polar SWIFT model introducing several improvements over the original model formulation. In particular, the model is now trained on vortex-averaged reaction rates of the ATLAS Chemistry and Transport Model, which enables a detailed look at individual processes and an independent validation of the different parameterizations contained in the differential equations. The training of the original Polar SWIFT model was based on fitting complete model runs to satellite observations and did not allow for this. A revised formulation of the system of differential equations is developed, which closely fits vortex-averaged reaction rates from ATLAS that represent the main chemical processes influencing ozone. In addition, a parameterization for the HNO3 change by denitrification is included. The rates of change of the concentrations of the chemical species of the Polar SWIFT model are purely chemical rates of change in the new version, whereas in the original Polar SWIFT model, they included a transport effect caused by the

  5. Modeling biological tissue growth: discrete to continuum representations.

    Science.gov (United States)

    Hywood, Jack D; Hackett-Jones, Emily J; Landman, Kerry A

    2013-09-01

    There is much interest in building deterministic continuum models from discrete agent-based models governed by local stochastic rules where an agent represents a biological cell. In developmental biology, cells are able to move and undergo cell division on and within growing tissues. A growing tissue is itself made up of cells which undergo cell division, thereby providing a significant transport mechanism for other cells within it. We develop a discrete agent-based model where domain agents represent tissue cells. Each agent has the ability to undergo a proliferation event whereby an additional domain agent is incorporated into the lattice. If a probability distribution describes the waiting times between proliferation events for an individual agent, then the total length of the domain is a random variable. The average behavior of these stochastically proliferating agents defining the growing lattice is determined in terms of a Fokker-Planck equation, with an advection and diffusion term. The diffusion term differs from the one obtained Landman and Binder [J. Theor. Biol. 259, 541 (2009)] when the rate of growth of the domain is specified, but the choice of agents is random. This discrepancy is reconciled by determining a discrete-time master equation for this process and an associated asymmetric nonexclusion random walk, together with consideration of synchronous and asynchronous updating schemes. All theoretical results are confirmed with numerical simulations. This study furthers our understanding of the relationship between agent-based rules, their implementation, and their associated partial differential equations. Since tissue growth is a significant cellular transport mechanism during embryonic growth, it is important to use the correct partial differential equation description when combining with other cellular functions.

  6. A continuum mathematical model of endothelial layer maintenance and senescence

    Directory of Open Access Journals (Sweden)

    Friedman Avner

    2007-08-01

    Full Text Available Abstract Background The monolayer of endothelial cells (ECs lining the inner wall of blood vessels deteriorates as a person ages due to a complex interplay of a variety of causes including cell death arising from shear stress of blood flow and cellular oxidative stress, cellular senescence, and decreased rate of replacement of dead ECs by progenitor stem cells. Results A continuum mathematical model is developed to describe the dynamics of large EC populations of the endothelium using a system of differential equations for the number densities of cells of different generations starting from endothelial progenitors to senescent cells, as well as the densities of dead cells and the holes created upon clearing dead cells. Aging of cells is manifested in three ways, namely, losing the ability to divide when the Hayflick limit of 50 generations is reached, decreasing replication rate parameters and increasing death rate parameters as cells divide; due to the dependence of these rate parameters on cell generation, the model predicts a narrow distribution of cell densities peaking at a particular cell generation. As the chronological age of a person advances, the peak of the distribution – corresponding to the age of the endothelium – moves towards senescence correspondingly. However, computer simulations also demonstrate that sustained and enhanced stem cell homing can halt the aging process of the endothelium by maintaining a stationary cell density distribution that peaks well before the Hayflick limit. The healing rates of damaged endothelia for young, middle-aged, and old persons are compared and are found to be particularly sensitive to the stem cell homing parameter. Conclusion The proposed model describes the aging of the endothelium as being driven by cellular senescence, with a rate that does not necessarily correspond to the chronological aging of a person. It is shown that the age of the endothelium depends sensitively on the homing

  7. Small scale effect on vibration of embedded multilayered graphene sheets based on nonlocal continuum models

    Energy Technology Data Exchange (ETDEWEB)

    Pradhan, S.C. [Department of Aerospace Engineering Indian Institute of Technology, Kharagpur West Bengal, 721 302 (India)], E-mail: scp@aero.iitkgp.ernet.in; Phadikar, J.K. [Department of Aerospace Engineering Indian Institute of Technology, Kharagpur West Bengal, 721 302 (India)

    2009-03-09

    In the present work, vibration analysis of multilayered graphene sheets embedded in polymer matrix has been carried out employing nonlocal continuum mechanics. Governing equations have been derived using the principle of virtual work. It has been shown that nonlocal effect is quite significant and needs to be included in the continuum model of graphene sheet.

  8. Generalized Continuum: from Voigt to the Modeling of Quasi-Brittle Materials

    Directory of Open Access Journals (Sweden)

    Jamile Salim Fuina

    2010-12-01

    Full Text Available This article discusses the use of the generalized continuum theories to incorporate the effects of the microstructure in the nonlinear finite element analysis of quasi-brittle materials and, thus, to solve mesh dependency problems. A description of the problem called numerically induced strain localization, often found in Finite Element Method material non-linear analysis, is presented. A brief historic about the Generalized Continuum Mechanics based models is presented, since the initial work of Voigt (1887 until the more recent studies. By analyzing these models, it is observed that the Cosserat and microstretch approaches are particular cases of a general formulation that describes the micromorphic continuum. After reporting attempts to incorporate the material microstructure in Classical Continuum Mechanics based models, the article shows the recent tendency of doing it according to assumptions of the Generalized Continuum Mechanics. Finally, it presents numerical results which enable to characterize this tendency as a promising way to solve the problem.

  9. A constitutive model of soft tissue: From nanoscale collagen to tissue continuum

    KAUST Repository

    Tang, Huang

    2009-04-08

    Soft collagenous tissue features many hierarchies of structure, starting from tropocollagen molecules that form fibrils, and proceeding to a bundle of fibrils that form fibers. Here we report the development of an atomistically informed continuum model of collagenous tissue. Results from full atomistic and molecular modeling are linked with a continuum theory of a fiber-reinforced composite, handshaking the fibril scale to the fiber and continuum scale in a hierarchical multi-scale simulation approach. Our model enables us to study the continuum-level response of the tissue as a function of cross-link density, making a link between nanoscale collagen features and material properties at larger tissue scales. The results illustrate a strong dependence of the continuum response as a function of nanoscopic structural features, providing evidence for the notion that the molecular basis for protein materials is important in defining their larger-scale mechanical properties. © 2009 Biomedical Engineering Society.

  10. Nano-Continuum Modeling of a Nuclear Glass Specimen Altered for 25 Years

    Energy Technology Data Exchange (ETDEWEB)

    Steefel, Carl

    2014-01-06

    The purpose of this contribution is to report on preliminary nano-continuum scale modeling of nuclear waste glass corrosion. The focus of the modeling is an experiment involving a French glass SON68 specimen leached for 25 years in a granitic environment. In this report, we focus on capturing the nano-scale concentration profiles. We use a high resolution continuum model with a constant grid spacing of 1 nanometer to investigate the glass corrosion mechanisms.

  11. Prediction of protein continuum secondary structure with probabilistic models based on NMR solved structures

    Directory of Open Access Journals (Sweden)

    Bailey Timothy L

    2006-02-01

    Full Text Available Abstract Background The structure of proteins may change as a result of the inherent flexibility of some protein regions. We develop and explore probabilistic machine learning methods for predicting a continuum secondary structure, i.e. assigning probabilities to the conformational states of a residue. We train our methods using data derived from high-quality NMR models. Results Several probabilistic models not only successfully estimate the continuum secondary structure, but also provide a categorical output on par with models directly trained on categorical data. Importantly, models trained on the continuum secondary structure are also better than their categorical counterparts at identifying the conformational state for structurally ambivalent residues. Conclusion Cascaded probabilistic neural networks trained on the continuum secondary structure exhibit better accuracy in structurally ambivalent regions of proteins, while sustaining an overall classification accuracy on par with standard, categorical prediction methods.

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

    Data.gov (United States)

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

  13. Fluid-Structure Interaction in Continuum Models of Bacterial Biofilms

    Science.gov (United States)

    Hicks, Jared A.

    Bacterial biofilms are aggregates of cells that adhere to nearly any solid-fluid interface. While many have harmful effects, such as industrial damage and nosocomial infections, certain biofilm species are now generating renewable energy as the fundamental components of Microbial Fuel Cells (MFCs). In an MFC, bacteria consume organic waste and, as they respire, produce free electrons. To do so efficiently, the bacteria must operate at peak metabolic activity, and so require an ample supply of nutrients. But existing MFC systems face several nutrient delivery problems, including clogging and downstream depletion. Ameliorating these problems will require a better understanding of the interplay between structural development and the surrounding fluid flow. In addition to delivering nutrients that affect biofilm growth, the fluid also exerts stresses that cause erosion, detachment, and deformation. These structural changes, in turn, affect the flow and alter the nutrient distribution. To account for this feedback effect, I have developed a continuum model that couples the growth and deformation processes. My model augments an existing growth model with evolution equations derived from Morphoelasticity Theory, by showing that the growth tensor can be directly related to the biofilm velocity potential. This result helps overcome one of the major practical limitations of Morphoelasticity--there is no physical framework for specifying the growth tensor. Through further analysis of the growth tensor, I define the related adjugate and anisotropic growth tensors, which can be more meaningful measures of growth for some models. Under the assumption of small strain, I show that there exists a small correction to the biofilm growth velocity (the accommodation velocity) that represents the effect of the elastic response on the evolution of the biofilm shape. I derive a solvability condition for the accommodation velocity, and show that it leads to a novel evolution equation for

  14. Dynamics Modeling of a Continuum Robotic Arm with a Contact Point in Planar Grasp

    Directory of Open Access Journals (Sweden)

    Mohammad Dehghani

    2014-01-01

    Full Text Available Grasping objects by continuum arms or fingers is a new field of interest in robotics. Continuum manipulators have the advantages of high adaptation and compatibility with respect to the object shape. However, due to their extremely nonlinear behavior and infinite degrees of freedom, continuum arms cannot be easily modeled. In fact, dynamics modeling of continuum robotic manipulators is state-of-the-art. Using the exact modeling approaches, such as theory of Cosserat rod, the resulting models are either too much time-taking for computation or numerically unstable. Thus, such models are not suitable for applications such as real-time control. However, based on realistic assumptions and using some approximations, these systems can be modeled with reasonable computational efforts. In this paper, a planar continuum robotic arm is modeled, considering its backbone as two circular arcs. In order to simulate finger grasping, the continuum arm experiences a point-force along its body. Finally, the results are validated using obtained experimental data.

  15. Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach

    Science.gov (United States)

    Duchemin, Ivan; Jacquemin, Denis; Blase, Xavier

    2016-04-01

    We have implemented the polarizable continuum model within the framework of the many-body Green's function GW formalism for the calculation of electron addition and removal energies in solution. The present formalism includes both ground-state and non-equilibrium polarization effects. In addition, the polarization energies are state-specific, allowing to obtain the bath-induced renormalisation energy of all occupied and virtual energy levels. Our implementation is validated by comparisons with ΔSCF calculations performed at both the density functional theory and coupled-cluster single and double levels for solvated nucleobases. The present study opens the way to GW and Bethe-Salpeter calculations in disordered condensed phases of interest in organic optoelectronics, wet chemistry, and biology.

  16. Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach

    Energy Technology Data Exchange (ETDEWEB)

    Duchemin, Ivan, E-mail: ivan.duchemin@cea.fr [INAC, SP2M/L-Sim, CEA/UJF Cedex 09, 38054 Grenoble (France); Jacquemin, Denis [Laboratoire CEISAM - UMR CNR 6230, Université de Nantes, 2 Rue de la Houssinière, BP 92208, 44322 Nantes Cedex 3 (France); Institut Universitaire de France, 1 rue Descartes, 75005 Paris Cedex 5 (France); Blase, Xavier [CNRS, Inst. NÉEL, F-38000 Grenoble (France); Univ. Grenoble Alpes, Inst. NÉEL, F-38000 Grenoble (France)

    2016-04-28

    We have implemented the polarizable continuum model within the framework of the many-body Green’s function GW formalism for the calculation of electron addition and removal energies in solution. The present formalism includes both ground-state and non-equilibrium polarization effects. In addition, the polarization energies are state-specific, allowing to obtain the bath-induced renormalisation energy of all occupied and virtual energy levels. Our implementation is validated by comparisons with ΔSCF calculations performed at both the density functional theory and coupled-cluster single and double levels for solvated nucleobases. The present study opens the way to GW and Bethe-Salpeter calculations in disordered condensed phases of interest in organic optoelectronics, wet chemistry, and biology.

  17. Progress toward bridging from atomistic to continuum modeling to predict nuclear waste glass dissolution.

    Energy Technology Data Exchange (ETDEWEB)

    Zapol, Peter (Argonne National Laboratory, Argonne, IL); Bourg, Ian (Lawrence Berkeley National Laboratories, Berkeley, CA); Criscenti, Louise Jacqueline; Steefel, Carl I. (Lawrence Berkeley National Laboratories, Berkeley, CA); Schultz, Peter Andrew

    2011-10-01

    This report summarizes research performed for the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Subcontinuum and Upscaling Task. The work conducted focused on developing a roadmap to include molecular scale, mechanistic information in continuum-scale models of nuclear waste glass dissolution. This information is derived from molecular-scale modeling efforts that are validated through comparison with experimental data. In addition to developing a master plan to incorporate a subcontinuum mechanistic understanding of glass dissolution into continuum models, methods were developed to generate constitutive dissolution rate expressions from quantum calculations, force field models were selected to generate multicomponent glass structures and gel layers, classical molecular modeling was used to study diffusion through nanopores analogous to those in the interfacial gel layer, and a micro-continuum model (K{mu}C) was developed to study coupled diffusion and reaction at the glass-gel-solution interface.

  18. Reproducing the nonlinear dynamic behavior of a structured beam with a generalized continuum model

    Science.gov (United States)

    Vila, J.; Fernández-Sáez, J.; Zaera, R.

    2018-04-01

    In this paper we study the coupled axial-transverse nonlinear vibrations of a kind of one dimensional structured solids by application of the so called Inertia Gradient Nonlinear continuum model. To show the accuracy of this axiomatic model, previously proposed by the authors, its predictions are compared with numeric results from a previously defined finite discrete chain of lumped masses and springs, for several number of particles. A continualization of the discrete model equations based on Taylor series allowed us to set equivalent values of the mechanical properties in both discrete and axiomatic continuum models. Contrary to the classical continuum model, the inertia gradient nonlinear continuum model used herein is able to capture scale effects, which arise for modes in which the wavelength is comparable to the characteristic distance of the structured solid. The main conclusion of the work is that the proposed generalized continuum model captures the scale effects in both linear and nonlinear regimes, reproducing the behavior of the 1D nonlinear discrete model adequately.

  19. The cavity electromagnetic field within the polarizable continuum model of solvation

    Energy Technology Data Exchange (ETDEWEB)

    Pipolo, Silvio, E-mail: silvio.pipolo@nano.cnr.it [Center S3, CNR Institute of Nanoscience, Modena (Italy); Department of Physics, University of Modena and Reggio Emilia, Modena (Italy); Corni, Stefano, E-mail: stefano.corni@nano.cnr.it [Center S3, CNR Institute of Nanoscience, Modena (Italy); Cammi, Roberto, E-mail: roberto.cammi@unipr.it [Department of Chemistry, Università degli studi di Parma, Parma (Italy)

    2014-04-28

    Cavity field effects can be defined as the consequences of the solvent polarization induced by the probing electromagnetic field upon spectroscopies of molecules in solution, and enter in the definitions of solute response properties. The polarizable continuum model of solvation (PCM) has been extended in the past years to address the cavity-field issue through the definition of an effective dipole moment that couples to the external electromagnetic field. We present here a rigorous derivation of such cavity-field treatment within the PCM starting from the general radiation-matter Hamiltonian within inhomogeneous dielectrics and recasting the interaction term to a dipolar form within the long wavelength approximation. To this aim we generalize the Göppert-Mayer and Power-Zienau-Woolley gauge transformations, usually applied in vacuo, to the case of a cavity vector potential. Our derivation also allows extending the cavity-field correction in the long-wavelength limit to the velocity gauge through the definition of an effective linear momentum operator. Furthermore, this work sets the basis for the general PCM treatment of the electromagnetic cavity field, capable to describe the radiation-matter interaction in dielectric media beyond the long-wavelength limit, providing also a tool to investigate spectroscopic properties of more complex systems such as molecules close to large nanoparticles.

  20. Applications of Artificial Neural Networks in Structural Engineering with Emphasis on Continuum Models

    Science.gov (United States)

    Kapania, Rakesh K.; Liu, Youhua

    1998-01-01

    The use of continuum models for the analysis of discrete built-up complex aerospace structures is an attractive idea especially at the conceptual and preliminary design stages. But the diversity of available continuum models and hard-to-use qualities of these models have prevented them from finding wide applications. In this regard, Artificial Neural Networks (ANN or NN) may have a great potential as these networks are universal approximators that can realize any continuous mapping, and can provide general mechanisms for building models from data whose input-output relationship can be highly nonlinear. The ultimate aim of the present work is to be able to build high fidelity continuum models for complex aerospace structures using the ANN. As a first step, the concepts and features of ANN are familiarized through the MATLAB NN Toolbox by simulating some representative mapping examples, including some problems in structural engineering. Then some further aspects and lessons learned about the NN training are discussed, including the performances of Feed-Forward and Radial Basis Function NN when dealing with noise-polluted data and the technique of cross-validation. Finally, as an example of using NN in continuum models, a lattice structure with repeating cells is represented by a continuum beam whose properties are provided by neural networks.

  1. Creep crack growth predictions in INCO 718 using a continuum damage model

    Science.gov (United States)

    Walker, K. P.; Wilson, D. A.

    1985-01-01

    Creep crack growth tests have been carried out in compact type specimens of INCO 718 at 1200 F (649 C). Theoretical creep crack growth predictions have been carried out by incorporating a unified viscoplastic constitutive model and a continuum damage model into the ARAQUS nonlinear finite element program. Material constants for both the viscoplastic model and the creep continuum damage model were determined from tests carried out on uniaxial bar specimens of INCO 718 at 1200 F (649 C). A comparison of the theoretical creep crack growth rates obtained from the finite element predictions with the experimentally observed creep crack growth rates indicates that the viscoplastic/continuum damage model can be used to successfully predict creep crack growth in compact type specimens using material constants obtained from uniaxial bar specimens of INCO 718 at 1200 F (649 C).

  2. Theoretical analysis of the density wave in a new continuum model and numerical simulation

    Science.gov (United States)

    Lai, Ling-Ling; Cheng, Rong-Jun; Li, Zhi-Peng; Ge, Hong-Xia

    2014-05-01

    Considered the effect of traffic anticipation in the real world, a new anticipation driving car following model (AD-CF) was proposed by Zheng et al. Based on AD-CF model, adopted an asymptotic approximation between the headway and density, a new continuum model is presented in this paper. The neutral stability condition is obtained by applying the linear stability theory. Additionally, the Korteweg-de Vries (KdV) equation is derived via nonlinear analysis to describe the propagating behavior of traffic density wave near the neutral stability line. The numerical simulation and the analytical results show that the new continuum model is capable of explaining some particular traffic phenomena.

  3. Realistic Gamow shell model for resonance and continuum in atomic nuclei

    Science.gov (United States)

    Xu, F. R.; Sun, Z. H.; Wu, Q.; Hu, B. S.; Dai, S. J.

    2018-02-01

    The Gamow shell model can describe resonance and continuum for atomic nuclei. The model is established in the complex-moment (complex-k) plane of the Berggren coordinates in which bound, resonant and continuum states are treated on equal footing self-consistently. In the present work, the realistic nuclear force, CD Bonn, has been used. We have developed the full \\hat{Q}-box folded-diagram method to derive the realistic effective interaction in the model space which is nondegenerate and contains resonance and continuum channels. The CD-Bonn potential is renormalized using the V low-k method. With choosing 16O as the inert core, we have applied the Gamow shell model to oxygen isotopes.

  4. Molecular response functions for the polarizable continuum model physical basis and quantum mechanical formalism

    CERN Document Server

    Cammi, Roberto

    2013-01-01

    This Brief presents the main aspects of the response functions theory (RFT) for molecular solutes described within the framework of the Polarizable Continuum Model (PCM). PCM is a solvation model for a Quantum Mechanical molecular system in which the solvent is represented as a continuum distribution of matter. Particular attention is devoted to the description of the basic features of the PCM model, and to the problems characterizing the study of the response function theory for molecules in solution with respect to the analogous theory on isolated molecules.

  5. NUCLEON POLARIZATION IN 3-BODY MODELS OF POLARIZED LI-6

    NARCIS (Netherlands)

    SCHELLINGERHOUT, NW; KOK, LP; COON, SA; ADAM, RM

    1993-01-01

    Just as He-3 --> can be approximately characterized as a polarized neutron target, polarized Li-6D has been advocated as a good isoscalar nuclear target for the extraction of the polarized gluon content of the nucleon. The original argument rests upon a presumed ''alpha + deuteron'' picture of Li-6,

  6. Comparing Multidimensional and Continuum Models of Vocabulary Acquisition: An Empirical Examination of the Vocabulary Knowledge Scale

    Science.gov (United States)

    Stewart, Jeffrey; Batty, Aaron Olaf; Bovee, Nicholas

    2012-01-01

    Second language vocabulary acquisition has been modeled both as multidimensional in nature and as a continuum wherein the learner's knowledge of a word develops along a cline from recognition through production. In order to empirically examine and compare these models, the authors assess the degree to which the Vocabulary Knowledge Scale (VKS;…

  7. Coupled continuum modeling of fracture reactivation and induced seismicity during enhanced geothermal operations

    NARCIS (Netherlands)

    Wassing, B.B.T.; Wees, J.D. van; Fokker, P.A.

    2014-01-01

    We constructed a coupled model to obtain a better understanding of the role of pore pressure changes in causing fracture reactivation and seismicity during enhanced geothermal systems operation (EGS). We implemented constitutive models for fractures in a continuum approach, which is advantageous

  8. Randomly-fluctuating heterogeneous continuum model of a ballasted railway track

    Science.gov (United States)

    de Abreu Corrêa, Lucio; Quezada, Juan Carlos; Cottereau, Régis; d'Aguiar, Sofia Costa; Voivret, Charles

    2017-11-01

    This paper proposes a description of a granular medium as a stochastic heterogeneous continuum medium. The heterogeneity of the material properties field recreates the heterogeneous stress field in a granular medium. The stochastic approach means that only statistical information, easily available, is required to construct the model. The heterogeneous continuum model is Calibrated with respect to discrete simulations of a set of railway ballast samples. As they are continuum-based, the equilibrium equations can be solved on a large scale using a parallel implementation of an explicit time discretization scheme for the Finite Element Method. Simulations representative of the influence on the environment of the passage of a train on a ballasted railway track clearly show the influence of the heterogeneity. These simulations seem to correlate well with previously unexplained overly damped measurements in the free field.

  9. Modeling Soft Tissue Damage and Failure Using a Combined Particle/Continuum Approach

    Science.gov (United States)

    Rausch, M. K.; Karniadakis, G. E.; Humphrey, J. D.

    2016-01-01

    Biological soft tissues experience damage and failure as a result of injury, disease, or simply age; examples include torn ligaments and arterial dissections. Given the complexity of tissue geometry and material behavior, computational models are often essential for studying both damage and failure. Yet, because of the need to account for discontinuous phenomena such as crazing, tearing, and rupturing, continuum methods are limited. Therefore, we model soft tissue damage and failure using a particle/continuum approach. Specifically, we combine continuum damage theory with Smoothed Particle Hydrodynamics (SPH). Because SPH is a meshless particle method, and particle connectivity is determined solely through a neighbor list, discontinuities can be readily modeled by modifying this list. We show, for the first time, that an anisotropic hyperelastic constitutive model commonly employed for modeling soft tissue can be conveniently implemented within a SPH framework and that SPH results show excellent agreement with analytical solutions for uniaxial and biaxial extension as well as finite element solutions for clamped uniaxial extension in 2D and 3D. We further develop a simple algorithm that automatically detects damaged particles and disconnects the spatial domain along rupture lines in 2D and rupture surfaces in 3D. We demonstrate the utility of this approach by simulating damage and failure under clamped uniaxial extension and in a peeling experiment of virtual soft tissue samples. In conclusion, SPH in combination with continuum damage theory may provide an accurate and efficient framework for modeling damage and failure in soft tissues. PMID:27538848

  10. Modified Continuum Mechanics Modeling on Size-Dependent Properties of Piezoelectric Nanomaterials: A Review

    Directory of Open Access Journals (Sweden)

    Zhi Yan

    2017-01-01

    Full Text Available Piezoelectric nanomaterials (PNs are attractive for applications including sensing, actuating, energy harvesting, among others in nano-electro-mechanical-systems (NEMS because of their excellent electromechanical coupling, mechanical and physical properties. However, the properties of PNs do not coincide with their bulk counterparts and depend on the particular size. A large amount of efforts have been devoted to studying the size-dependent properties of PNs by using experimental characterization, atomistic simulation and continuum mechanics modeling with the consideration of the scale features of the nanomaterials. This paper reviews the recent progresses and achievements in the research on the continuum mechanics modeling of the size-dependent mechanical and physical properties of PNs. We start from the fundamentals of the modified continuum mechanics models for PNs, including the theories of surface piezoelectricity, flexoelectricity and non-local piezoelectricity, with the introduction of the modified piezoelectric beam and plate models particularly for nanostructured piezoelectric materials with certain configurations. Then, we give a review on the investigation of the size-dependent properties of PNs by using the modified continuum mechanics models, such as the electromechanical coupling, bending, vibration, buckling, wave propagation and dynamic characteristics. Finally, analytical modeling and analysis of nanoscale actuators and energy harvesters based on piezoelectric nanostructures are presented.

  11. Modified Continuum Mechanics Modeling on Size-Dependent Properties of Piezoelectric Nanomaterials: A Review.

    Science.gov (United States)

    Yan, Zhi; Jiang, Liying

    2017-01-26

    Piezoelectric nanomaterials (PNs) are attractive for applications including sensing, actuating, energy harvesting, among others in nano-electro-mechanical-systems (NEMS) because of their excellent electromechanical coupling, mechanical and physical properties. However, the properties of PNs do not coincide with their bulk counterparts and depend on the particular size. A large amount of efforts have been devoted to studying the size-dependent properties of PNs by using experimental characterization, atomistic simulation and continuum mechanics modeling with the consideration of the scale features of the nanomaterials. This paper reviews the recent progresses and achievements in the research on the continuum mechanics modeling of the size-dependent mechanical and physical properties of PNs. We start from the fundamentals of the modified continuum mechanics models for PNs, including the theories of surface piezoelectricity, flexoelectricity and non-local piezoelectricity, with the introduction of the modified piezoelectric beam and plate models particularly for nanostructured piezoelectric materials with certain configurations. Then, we give a review on the investigation of the size-dependent properties of PNs by using the modified continuum mechanics models, such as the electromechanical coupling, bending, vibration, buckling, wave propagation and dynamic characteristics. Finally, analytical modeling and analysis of nanoscale actuators and energy harvesters based on piezoelectric nanostructures are presented.

  12. Modified Continuum Mechanics Modeling on Size-Dependent Properties of Piezoelectric Nanomaterials: A Review

    Science.gov (United States)

    Yan, Zhi; Jiang, Liying

    2017-01-01

    Piezoelectric nanomaterials (PNs) are attractive for applications including sensing, actuating, energy harvesting, among others in nano-electro-mechanical-systems (NEMS) because of their excellent electromechanical coupling, mechanical and physical properties. However, the properties of PNs do not coincide with their bulk counterparts and depend on the particular size. A large amount of efforts have been devoted to studying the size-dependent properties of PNs by using experimental characterization, atomistic simulation and continuum mechanics modeling with the consideration of the scale features of the nanomaterials. This paper reviews the recent progresses and achievements in the research on the continuum mechanics modeling of the size-dependent mechanical and physical properties of PNs. We start from the fundamentals of the modified continuum mechanics models for PNs, including the theories of surface piezoelectricity, flexoelectricity and non-local piezoelectricity, with the introduction of the modified piezoelectric beam and plate models particularly for nanostructured piezoelectric materials with certain configurations. Then, we give a review on the investigation of the size-dependent properties of PNs by using the modified continuum mechanics models, such as the electromechanical coupling, bending, vibration, buckling, wave propagation and dynamic characteristics. Finally, analytical modeling and analysis of nanoscale actuators and energy harvesters based on piezoelectric nanostructures are presented. PMID:28336861

  13. Modeling stock price dynamics by continuum percolation system and relevant complex systems analysis

    Science.gov (United States)

    Xiao, Di; Wang, Jun

    2012-10-01

    The continuum percolation system is developed to model a random stock price process in this work. Recent empirical research has demonstrated various statistical features of stock price changes, the financial model aiming at understanding price fluctuations needs to define a mechanism for the formation of the price, in an attempt to reproduce and explain this set of empirical facts. The continuum percolation model is usually referred to as a random coverage process or a Boolean model, the local interaction or influence among traders is constructed by the continuum percolation, and a cluster of continuum percolation is applied to define the cluster of traders sharing the same opinion about the market. We investigate and analyze the statistical behaviors of normalized returns of the price model by some analysis methods, including power-law tail distribution analysis, chaotic behavior analysis and Zipf analysis. Moreover, we consider the daily returns of Shanghai Stock Exchange Composite Index from January 1997 to July 2011, and the comparisons of return behaviors between the actual data and the simulation data are exhibited.

  14. HYBRID CONTINUUM-DISCONTINUUM MODELLING OF ROCK FRACUTRE PROCESS IN BRAZILIAN TENSILE STRENGTH TEST

    Directory of Open Access Journals (Sweden)

    Huaming An

    2017-10-01

    Full Text Available A hybrid continuum-discontinuum method is introduced to model the rock failure process in Brazilian tensile strength (BTS test. The key component of the hybrid continuum-discontinuum method, i.e. transition from continuum to discontinuum through fracture and fragmentation, is introduced in detail. A laboratory test is conducted first to capture the rock fracture pattern in the BTS test while the tensile strength is calculated according to the peak value of the loading forces. Then the proposed method is used to model the rock behaviour during BTS test. The stress propagation is modelled and compared with those modelled by finite element method in literatures. In addition, the crack initiation and propagation are captured and compared with the facture patter in laboratory test. Moreover, the force-loading displacement curve is obtained which represents a typical brittle material failure process. Furthermore, the stress distributions along the vertical direction are compared with the theoretical solution. It is concluded that the hybrid continuum-discontinuum method can model the stress propagation process and the entire rock failure process in BTS test. The proposed method is a valuable numerical tool for studying the rock behaviour involving the fracture and fragmentation processes.

  15. Relaxation of a steep density gradient in a simple fluid: Comparison between atomistic and continuum modeling

    Energy Technology Data Exchange (ETDEWEB)

    Pourali, Meisam; Maghari, Ali [Department of Physical Chemistry, School of Chemistry, College of Science, University of Tehran, Tehran (Iran, Islamic Republic of); Meloni, Simone, E-mail: simone.meloni@epfl.ch [Laboratory of Computational Chemistry and Biochemistry, École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne (Switzerland); Magaletti, Francesco; Casciola, Carlo Massimo [Dipartimento di Ingegneria Meccanica e Aerospaziale, Università La Sapienza, Via Eudossiana 18, 00184 Rome (Italy); Ciccotti, Giovanni [Dipartimento di Fisica and CNISM, Università La Sapienza, P.le A. Moro 5, 00185 Rome (Italy)

    2014-10-21

    We compare dynamical nonequilibrium molecular dynamics and continuum simulations of the dynamics of relaxation of a fluid system characterized by a non-uniform density profile. Results match quite well as long as the lengthscale of density nonuniformities are greater than the molecular scale (∼10 times the molecular size). In presence of molecular scale features some of the continuum fields (e.g., density and momentum) are in good agreement with atomistic counterparts, but are smoother. On the contrary, other fields, such as the temperature field, present very large difference with respect to reference (atomistic) ones. This is due to the limited accuracy of some of the empirical relations used in continuum models, the equation of state of the fluid in the present example.

  16. Relaxation of a steep density gradient in a simple fluid: Comparison between atomistic and continuum modeling

    International Nuclear Information System (INIS)

    Pourali, Meisam; Maghari, Ali; Meloni, Simone; Magaletti, Francesco; Casciola, Carlo Massimo; Ciccotti, Giovanni

    2014-01-01

    We compare dynamical nonequilibrium molecular dynamics and continuum simulations of the dynamics of relaxation of a fluid system characterized by a non-uniform density profile. Results match quite well as long as the lengthscale of density nonuniformities are greater than the molecular scale (∼10 times the molecular size). In presence of molecular scale features some of the continuum fields (e.g., density and momentum) are in good agreement with atomistic counterparts, but are smoother. On the contrary, other fields, such as the temperature field, present very large difference with respect to reference (atomistic) ones. This is due to the limited accuracy of some of the empirical relations used in continuum models, the equation of state of the fluid in the present example

  17. Design, modeling and control of a pneumatically actuated manipulator inspired by biological continuum structures.

    Science.gov (United States)

    Kang, Rongjie; Branson, David T; Zheng, Tianjiang; Guglielmino, Emanuele; Caldwell, Darwin G

    2013-09-01

    Biological tentacles, such as octopus arms, have entirely flexible structures and virtually infinite degrees of freedom (DOF) that allow for elongation, shortening and bending at any point along the arm length. The amazing dexterity of biological tentacles has driven the growing implementation of continuum manipulators in robotic systems. This paper presents a pneumatic manipulator inspired by biological continuum structures in some of their key features and functions, such as continuum morphology, intrinsic compliance and stereotyped motions with hyper redundant DOF. The kinematics and dynamics of the manipulator are formulated and identified, and a hierarchical controller taking inspiration from the structure of an octopus nervous system is used to relate desired stereotyped motions to individual actuator inputs. Simulations and experiments are carried out to validate the model and prototype where good agreement was found between the two.

  18. Design, modeling and control of a pneumatically actuated manipulator inspired by biological continuum structures

    International Nuclear Information System (INIS)

    Kang, Rongjie; Zheng Tianjiang; Guglielmino, Emanuele; Caldwell, Darwin G; Branson, David T

    2013-01-01

    Biological tentacles, such as octopus arms, have entirely flexible structures and virtually infinite degrees of freedom (DOF) that allow for elongation, shortening and bending at any point along the arm length. The amazing dexterity of biological tentacles has driven the growing implementation of continuum manipulators in robotic systems. This paper presents a pneumatic manipulator inspired by biological continuum structures in some of their key features and functions, such as continuum morphology, intrinsic compliance and stereotyped motions with hyper redundant DOF. The kinematics and dynamics of the manipulator are formulated and identified, and a hierarchical controller taking inspiration from the structure of an octopus nervous system is used to relate desired stereotyped motions to individual actuator inputs. Simulations and experiments are carried out to validate the model and prototype where good agreement was found between the two. (paper)

  19. Successful aging as a continuum of functional independence: lessons from physical disability models of aging.

    NARCIS (Netherlands)

    Lowry, K.A.; Vallejo, A.N.; Studenski, S.A.

    2012-01-01

    Successful aging is a multidimensional construct that could be viewed as a continuum of achievement. Based on the disability model proposed by the WHO International Classification of Functioning, Disability and Health, successful aging includes not only the presence or absence of disease, but also

  20. A New Conceptual Model for the Continuum of Land Rights | Whittal ...

    African Journals Online (AJOL)

    An aspect of this is land value and the degree of simplicity/complexity in land value is found to be well-aligned with the land rights types in the former continuum model. This is adopted as a suitable substitute for the former measure of informality/formality when locating land rights types on the horizontal axis. Legitimacy ...

  1. A continuum based fem model for friction stir welding-model development

    International Nuclear Information System (INIS)

    Buffa, G.; Hua, J.; Shivpuri, R.; Fratini, L.

    2006-01-01

    Although friction stir welding (FSW) has been successfully used to join materials that are difficult-to-weld or unweldeable by fusion welding methods, it is still in its early development stage and, therefore, a scientific knowledge based predictive model is of significant help for thorough understanding of FSW process. In this paper, a continuum based FEM model for friction stir welding process is proposed, that is 3D Lagrangian implicit, coupled, rigid-viscoplastic. This model is calibrated by comparing with experimental results of force and temperature distribution, then is used to investigate the distribution of temperature and strain in heat affect zone and the weld nugget. The model correctly predicts the non-symmetric nature of FSW process, and the relationships between the tool forces and the variation in the process parameters. It is found that the effective strain distribution is non-symmetric about the weld line while the temperature profile is almost symmetric in the weld zone

  2. Continuum-time Hamiltonian for the Baxter's model

    International Nuclear Information System (INIS)

    Libero, V.L.

    1983-01-01

    The associated Hamiltonian for the symmetric eight-vertex model is obtained by taking the time-continuous limit in an equivalent Ashkin-Teller model. The result is a Heisenberg Hamiltonian with coefficients J sub(x), J sub(y) and J sub(z) identical to those found by Sutherland for choices of the parameters a, b, c and d that bring the model close to the transition. The change in the operators is accomplished explicitly, the relation between the crossover operator for the Ashkin-Teller model and the energy operator for the eight-vertex model being obtained in a transparent form. (Author) [pt

  3. Stress transfer modeling in CNT reinforced composites using continuum mechanics

    International Nuclear Information System (INIS)

    Chaboki Khiabani, A.; Sadrnejad, S. A.; Yahyaeii, M.

    2008-01-01

    Because of the substantial difference in stiffness between matrix and nano tube in CNT composite, the stress transfer between them controls their mechanical properties. This paper investigates the said issue, analytically and numerically, in axial load using representative volume element. The analytical model was established based on the modified Cox's shear lag model with the use of some simplified assumptions. Some, in the developed shear lag model, the CNT assumes hollow fiber. Solving the governing differential equation. led the high shear stress, in interface especially in the CNT cap. In addition, some finite element models were performed with different aspect ratios and the shear stress pattern especially in interface was calculated numerically. Despite some simplified assumptions that were performed with these two models such as elastic behavior and full connectivity, and the comparison of their results with other numerical models show adequate agreement

  4. KdV-Burgers equation in the modified continuum model considering anticipation effect

    Science.gov (United States)

    Liu, Huaqing; Zheng, Pengjun; Zhu, Keqiang; Ge, Hongxia

    2015-11-01

    The new continuum model mentioned in this paper is developed based on optimal velocity car-following model, which takes the drivers' anticipation effect into account. The critical condition for traffic flow is derived, and nonlinear analysis shows density waves occur in traffic flow because of the small disturbance. Near the neutral stability line, the KdV-Burgers equation is derived and one of the solutions is given. Numerical simulation is carried out to show the local cluster described by the model.

  5. Continuum modeling of rate-dependent granular flows in SPH

    Science.gov (United States)

    Hurley, Ryan C.; Andrade, José E.

    2017-01-01

    We discuss a constitutive law for modeling rate-dependent granular flows that has been implemented in smoothed particle hydrodynamics (SPH). We model granular materials using a viscoplastic constitutive law that produces a Drucker-Prager-like yield condition in the limit of vanishing flow. A friction law for non-steady flows, incorporating rate-dependence and dilation, is derived and implemented within the constitutive law. We compare our SPH simulations with experimental data, demonstrating that they can capture both steady and non-steady dynamic flow behavior, notably including transient column collapse profiles. This technique may therefore be attractive for modeling the time-dependent evolution of natural and industrial flows.

  6. The continuum shell-model neutron states of Pb

    Indian Academy of Sciences (India)

    even magic core nucleus 208Pb. For the discrete low-lying excited states, the depletion of the shell-model ... nucleon moves. The matrix elements of K(r) has been kept fixed at 50 MeV and this has been discussed in the following section. The shell-model neutron state |j2)has been coupled with the vibrational |λπ)spin state.

  7. Modeling alignment enhancement for solid polarized targets

    Energy Technology Data Exchange (ETDEWEB)

    Keller, D. [University of Virginia, Charlottesville, VA (United States)

    2017-07-15

    A model of dynamic orientation using optimized radiofrequency (RF) irradiation produced perpendicular to the holding field is developed for the spin-1 system required for tensor-polarized fixed-target experiments. The derivation applies to RF produced close to the Larmor frequency of the nucleus and requires the electron spin-resonance linewidth to be much smaller than the nuclear magnetic resonance frequency. The rate equations are solved numerically to study a semi-saturated steady-state resulting from the two sources of irradiation: microwave from the DNP process and the additional RF used to manipulate the tensor polarization. The steady-state condition and continuous-wave NMR lineshape are found that optimize the spin-1 alignment in the polycrystalline materials used as solid polarized targets in charged-beam nuclear and particle physics experiments. (orig.)

  8. A continuum model for metabolic gas exchange in pear fruit.

    Directory of Open Access Journals (Sweden)

    Q Tri Ho

    2008-03-01

    Full Text Available Exchange of O(2 and CO(2 of plants with their environment is essential for metabolic processes such as photosynthesis and respiration. In some fruits such as pears, which are typically stored under a controlled atmosphere with reduced O(2 and increased CO(2 levels to extend their commercial storage life, anoxia may occur, eventually leading to physiological disorders. In this manuscript we have developed a mathematical model to predict the internal gas concentrations, including permeation, diffusion, and respiration and fermentation kinetics. Pear fruit has been selected as a case study. The model has been used to perform in silico experiments to evaluate the effect of, for example, fruit size or ambient gas concentration on internal O(2 and CO(2 levels. The model incorporates the actual shape of the fruit and was solved using fluid dynamics software. Environmental conditions such as temperature and gas composition have a large effect on the internal distribution of oxygen and carbon dioxide in fruit. Also, the fruit size has a considerable effect on local metabolic gas concentrations; hence, depending on the size, local anaerobic conditions may result, which eventually may lead to physiological disorders. The model developed in this manuscript is to our knowledge the most comprehensive model to date to simulate gas exchange in plant tissue. It can be used to evaluate the effect of environmental stresses on fruit via in silico experiments and may lead to commercial applications involving long-term storage of fruit under controlled atmospheres.

  9. Microstructure - based continuum damage model for Asphalt mixes

    International Nuclear Information System (INIS)

    Tashman, Laith; Masad, Eyad; Zbib, Hussein; Kaloush, Kamil

    2002-01-01

    Full text.Hot mix asphalt (HMA) is a complex composite material that consists of different sizes of aggregates, asphalt binder and air voids. One of the most important failures in asphalt pavements is caused by permanent deformation under high service temperature. An HMA with high resistance to permanent deformation work-hardens under repeated loading with accumulating strain. However, HMA that is susceptible to permanenr deformation develop microcracks under repeated loading, which softens the mix and leads ao an increase in the rate of accumulated strain. Most of macroscopic response of HMA, assume isotropic material properties and do not account for the microscopic behavior. This study develops a viscoplastic constitutive model for asphalt mixtures that incorporates microstructure parameters. The model is based on Perzyna's elasto-viscoplastic theory. The viscous flow function is extended to reflect the microstructure anisotropy. In addition, a damage parameter is included in the model to reflect the initiation adn propagation of cracks. The model's parameters are obtained using image analysis procedures, static creep tests and strength tests. The model is used to describe the behavior of number of mixtures with known field performance

  10. Continuum model for masonry: Parameter estimation and validation

    NARCIS (Netherlands)

    Lourenço, P.B.; Rots, J.G.; Blaauwendraad, J.

    1998-01-01

    A novel yield criterion that includes different strengths along each material axis is presented. The criterion includes two different fracture energies in tension and two different fracture energies in compression. The ability of the model to represent the inelastic behavior of orthotropic materials

  11. A New Conceptual Model for the Continuum of Land Rights

    African Journals Online (AJOL)

    Akrofi

    In order to inform the development of a new model, a systems understanding is used to identify five primary elements of land ... normative responses to communal and customary land administration systems are consistent with modernization theory in that they are ...... year, fractional shares. Occupation, use. Individuals have.

  12. Remarks on the Discrete Structures and Corresponding Continuum Models

    Czech Academy of Sciences Publication Activity Database

    Höschl, Cyril

    -, č. 2 (2010), s. 2-14 ISSN 1211-2046 Institutional research plan: CEZ:AV0Z20760514 Keywords : mathematic modeling of structures * rail lying on elastic foundation * discrete and contiuous strucutres Subject RIV: BI - Acoustics http://www.csm.cz

  13. Continuum soil modeling in the static analysis of buried structures

    International Nuclear Information System (INIS)

    Julyk, L.J.; Marlow, R.S.; Moore, C.J.; Day, J.P.; Dyrness, A.D.

    1993-10-01

    Soil loading traditionally has been modeled as a hydrostatic pressure, a practice acceptable for many design applications. In the analyses of buried structure with predictive goals, soil compliance and load redistribution in the presence of soil plasticity are important factors to consider in determining the appropriate response of the structure. In the analysis of existing buried waste-storage tanks at the US Department of Energy's Hanford Site, three soil-tank interaction modeling considerations are addressed. First, the soil interacts with the tank as the tank expands and contracts during thermal cycles associated with changes in the heat generated by the waste material as a result of additions and subtractions of the waste. Second, the soil transfers loads from the surface to the tank and provides support by resisting radial displacement of the tank haunch. Third, conventional finite-element mesh development causes artificial stress concentrations in the soil associated with differential settlement

  14. Explicit 3D continuum fracture modeling with smooth particle hydrodynamics

    Science.gov (United States)

    Benz, W.; Asphaug, E.

    1993-01-01

    Impact phenomena shaped our solar system. As usual for most solar system processes, the scales are far different than we can address directly in the laboratory. Impact velocities are often much higher than we can achieve, sizes are often vastly larger, and most impacts take place in an environment where the only gravitational force is the mutual pull of the impactors. The Smooth Particle Hydrodynamics (SPH) technique has been applied in the past to the simulations of giant impacts. In these simulations, the colliding objects were so massive (at least a sizeable fraction of the Earth's mass) that material strength was negligible compared to gravity. This assumption can no longer be made when the bodies are much smaller. To this end, we have developed a 3D SPH code that includes a strength model to which we have added a von Mises yielding relation for stresses beyond the Hugoniot Elastic Limit. At the lower stresses associated with brittle failure, we use a rate-dependent strength based on the nucleation of incipient flaws whose number density is given by a Weibull distribution. Following Grady and Kipp and Melosh et al., we introduce a state variable D ('damage'), 0 less than D less than 1, which expresses the local reduction in strength due to crack growth under tensile loading. Unfortunately for the hydrodynamics, Grady and Kipp's model predicts which fragments are the most probable ones and not the ones that are really formed. This means, for example, that if a given laboratory experiment is modeled, the fragment distribution obtained from the Grady-Kipp theory would be equivalent to a ensemble average over many realizations of the experiment. On the other hand, the hydrodynamics itself is explicit and evolves not an ensemble average but very specific fragments. Hence, there is a clear incompatibility with the deterministic nature of the hydrodynamics equations and the statistical approach of the Grady-Kipp dynamical fracture model. We remedy these shortcomings

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

    Science.gov (United States)

    Mohan, Ranju; Ramadurai, Gitakrishnan

    2017-01-01

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

  16. Continuum modelling of silicon diffusion in indium gallium arsenide

    Science.gov (United States)

    Aldridge, Henry Lee, Jr.

    A possible method to overcome the physical limitations experienced by continued transistor scaling and continue improvements in performance and power consumption is integration of III-V semiconductors as alternative channel materials for logic devices. Indium Gallium Arsenide (InGaAs) is such a material from the III-V semiconductor family, which exhibit superior electron mobilities and injection velocities than that of silicon. In order for InGaAs integration to be realized, contact resistances must be minimized through maximizing activation of dopants in this material. Additionally, redistribution of dopants during processing must be clearly understood and ultimately controlled at the nanometer-scale. In this work, the activation and diffusion behavior of silicon, a prominent n-type dopant in InGaAs, has been characterized and subsequently modelled using the Florida Object Oriented Process and Device Simulator (FLOOPS). In contrast to previous reports, silicon exhibits non-negligible diffusion in InGaAs, even for smaller thermal budget rapid thermal anneals (RTAs). Its diffusion is heavily concentration-dependent, with broadening "shoulder-like" profiles when doping levels exceed 1-3x1019cm -3, for both ion-implanted and Molecular Beam Epitaxy (MBE)-grown cases. Likewise a max net-activation value of ˜1.7x1019cm -3 is consistently reached with enough thermal processing, regardless of doping method. In line with experimental results and several ab-initio calculation results, rapid concentration-dependent diffusion of Si in InGaAs and the upper limits of its activation is believed to be governed by cation vacancies that serve as compensating defects in heavily n-type regions of InGaAs. These results are ultimately in line with an amphoteric defect model, where the activation limits of dopants are an intrinsic limitation of the material, rather than governed by individual dopant species or their methods of incorporation. As a result a Fermi level dependent point

  17. An extended continuum model considering optimal velocity change with memory and numerical tests

    Science.gov (United States)

    Qingtao, Zhai; Hongxia, Ge; Rongjun, Cheng

    2018-01-01

    In this paper, an extended continuum model of traffic flow is proposed with the consideration of optimal velocity changes with memory. The new model's stability condition and KdV-Burgers equation considering the optimal velocities change with memory are deduced through linear stability theory and nonlinear analysis, respectively. Numerical simulation is carried out to study the extended continuum model, which explores how optimal velocity changes with memory affected velocity, density and energy consumption. Numerical results show that when considering the effects of optimal velocity changes with memory, the traffic jams can be suppressed efficiently. Both the memory step and sensitivity parameters of optimal velocity changes with memory will enhance the stability of traffic flow efficiently. Furthermore, numerical results demonstrates that the effect of optimal velocity changes with memory can avoid the disadvantage of historical information, which increases the stability of traffic flow on road, and so it improve the traffic flow stability and minimize cars' energy consumptions.

  18. A continuum-based model capturing size effects in polymer bonds

    International Nuclear Information System (INIS)

    Diebels, S; Johlitz, M; Steeb, H; Chatzouridou, A; Batal, J; Possart, W

    2007-01-01

    It is known from applications that the mechanical behaviour of polymer bonds does not only depend on the properties of the polymer itself but also on the substrate. Therefore, the mechanical behaviour, i.e. the stiffness, of a polymer joint becomes thickness dependent. In the present work we describe experiments performed on polymer joints and we develop a continuum-based model which is able to describe the experimentally observed size effects without suggesting the microstructure in detail. The continuum mechanical model is enhanced by a scalar-valued structure parameter which describes all the effects taking place in the boundary layer which arises near the substrate. It is shown that the model parameters can be determined on the basis of simple shear experiments performed on polymer layers of different thickness

  19. Ranges of applicability for the continuum beam model in the mechanics of carbon nanotubes and nanorods

    Science.gov (United States)

    Harik, V. M.

    2001-01-01

    Limitations in the validity of the continuum beam model for carbon nanotubes (NTs) and nanorods are examined. Applicability of all assumptions used in the model is restricted by the two criteria for geometric parameters that characterize the structure of NTs. The key non-dimensional parameters that control the NT buckling behavior are derived via dimensional analysis of the nanomechanical problem. A mechanical law of geometric similitude for NT buckling is extended from continuum mechanics for different molecular structures. A model applicability map, where two classes of beam-like NTs are identified, is constructed for distinct ranges of non-dimensional parameters. Expressions for the critical buckling loads and strains are tailored for two classes of NTs and compared with the data provided by the molecular dynamics simulations. copyright 2001 Elsevier Science Ltd. All rights reserved.

  20. Modeling optical and UV polarization of AGNs. III. From uniform-density to clumpy regions

    Science.gov (United States)

    Marin, F.; Goosmann, R. W.; Gaskell, C. M.

    2015-05-01

    Context. A growing body of evidence suggests that some, if not all, scattering regions of active galactic nuclei (AGNs) are clumpy. The inner AGN components cannot be spatially resolved with current instruments and must be studied by numerical simulations of observed spectroscopy and polarization data. Aims: We run radiative transfer models in the optical/UV for a variety of AGN reprocessing regions with different distributions of clumpy scattering media. We obtain geometry-sensitive polarization spectra and images to improve our previous AGN models and their comparison with the observations. Methods: We use the latest public version 1.2 of the Monte Carlo code stokes presented in the first two papers of this series to model AGN reprocessing regions of increasing morphological complexity. We replace previously uniform-density media with up to thousands of constant-density clumps. We couple a continuum source to fragmented equatorial scattering regions, polar outflows, and toroidal obscuring dust regions and investigate a wide range of geometries. We also consider different levels of fragmentation in each scattering region to evaluate the importance of fragmentation for the net polarization of the AGN. Results: In comparison with uniform-density models, equatorial distributions of gas and dust clouds result in grayer spectra and show a decrease in the net polarization percentage at all lines of sight. The resulting polarization position angle depends on the morphology of the clumpy structure, with extended tori favoring parallel polarization while compact tori produce orthogonal polarization position angles. In the case of polar scattering regions, fragmentation increases the net polarization unless the cloud filling factor is small. A complete AGN model constructed from the individual, fragmented regions can produce low polarization percentages (<2%), with a parallel polarization angle for observer inclinations up to 70° for a torus half opening angle of 60°. For

  1. A 3D steady-state model of a tendon-driven continuum soft manipulator inspired by the octopus arm.

    Science.gov (United States)

    Renda, F; Cianchetti, M; Giorelli, M; Arienti, A; Laschi, C

    2012-06-01

    Control and modelling of continuum robots are challenging tasks for robotic researchers. Most works on modelling are limited to piecewise constant curvature. In many cases they neglect to model the actuators or avoid a continuum approach. In particular, in the latter case this leads to a complex model hardly implemented. In this work, a geometrically exact steady-state model of a tendon-driven manipulator inspired by the octopus arm is presented. It takes a continuum approach, fast enough to be implemented in the control law, and includes a model of the actuation system. The model was experimentally validated and the results are reported. In conclusion, the model presented can be used as a tool for mechanical design of continuum tendon-driven manipulators, for planning control strategies or as internal model in an embedded system.

  2. A 3D steady-state model of a tendon-driven continuum soft manipulator inspired by the octopus arm

    International Nuclear Information System (INIS)

    Renda, F; Cianchetti, M; Giorelli, M; Arienti, A; Laschi, C

    2012-01-01

    Control and modelling of continuum robots are challenging tasks for robotic researchers. Most works on modelling are limited to piecewise constant curvature. In many cases they neglect to model the actuators or avoid a continuum approach. In particular, in the latter case this leads to a complex model hardly implemented. In this work, a geometrically exact steady-state model of a tendon-driven manipulator inspired by the octopus arm is presented. It takes a continuum approach, fast enough to be implemented in the control law, and includes a model of the actuation system. The model was experimentally validated and the results are reported. In conclusion, the model presented can be used as a tool for mechanical design of continuum tendon-driven manipulators, for planning control strategies or as internal model in an embedded system. (paper)

  3. Development of Advanced Continuum Models that Incorporate Nanomechanical Deformation into Engineering Analysis.

    Energy Technology Data Exchange (ETDEWEB)

    Zimmerman, Jonathan A.; Jones, Reese E.; Templeton, Jeremy Alan; McDowell, David L.; Mayeur, Jason R.; Tucker, Garritt J.; Bammann, Douglas J.; Gao, Huajian

    2008-09-01

    Materials with characteristic structures at nanoscale sizes exhibit significantly different mechani-cal responses from those predicted by conventional, macroscopic continuum theory. For example,nanocrystalline metals display an inverse Hall-Petch effect whereby the strength of the materialdecreases with decreasing grain size. The origin of this effect is believed to be a change in defor-mation mechanisms from dislocation motion across grains and pileup at grain boundaries at mi-croscopic grain sizes to rotation of grains and deformation within grain boundary interface regionsfor nanostructured materials. These rotational defects are represented by the mathematical conceptof disclinations. The ability to capture these effects within continuum theory, thereby connectingnanoscale materials phenomena and macroscale behavior, has eluded the research community.The goal of our project was to develop a consistent theory to model both the evolution ofdisclinations and their kinetics. Additionally, we sought to develop approaches to extract contin-uum mechanical information from nanoscale structure to verify any developed continuum theorythat includes dislocation and disclination behavior. These approaches yield engineering-scale ex-pressions to quantify elastic and inelastic deformation in all varieties of materials, even those thatpossess highly directional bonding within their molecular structures such as liquid crystals, cova-lent ceramics, polymers and biological materials. This level of accuracy is critical for engineeringdesign and thermo-mechanical analysis is performed in micro- and nanosystems. The researchproposed here innovates on how these nanoscale deformation mechanisms should be incorporatedinto a continuum mechanical formulation, and provides the foundation upon which to develop ameans for predicting the performance of advanced engineering materials.4 AcknowledgmentThe authors acknowledge helpful discussions with Farid F. Abraham, Youping Chen, Terry J

  4. The application of single particle hydrodynamics in continuum models of multiphase flow

    Science.gov (United States)

    Decker, Rand

    1988-01-01

    A review of the application of single particle hydrodynamics in models for the exchange of interphase momentum in continuum models of multiphase flow is presented. Considered are the equations of motion for a laminar, mechanical two phase flow. Inherent to this theory is a model for the interphase exchange of momentum due to drag between the dispersed particulate and continuous fluid phases. In addition, applications of two phase flow theory to de-mixing flows require the modeling of interphase momentum exchange due to lift forces. The applications of single particle analysis in deriving models for drag and lift are examined.

  5. A Model of Discrete-Continuum Time for a Simple Physical System

    Directory of Open Access Journals (Sweden)

    Karimov A. R.

    2008-04-01

    Full Text Available Proceeding from the assumption that the time flow of an individual object is a real physical value, in the framework of a physical kinetics approach we propose an analogy between time and temperature. The use of such an analogy makes it possible to work out a discrete-continuum model of time for a simple physical system. The possible physical properties of time for the single object and time for the whole system are discussed.

  6. Continuum-kinetic-microscopic model of lung clearance due to core-annular fluid entrainment

    Energy Technology Data Exchange (ETDEWEB)

    Mitran, Sorin, E-mail: mitran@unc.edu

    2013-07-01

    The human lung is protected against aspirated infectious and toxic agents by a thin liquid layer lining the interior of the airways. This airway surface liquid is a bilayer composed of a viscoelastic mucus layer supported by a fluid film known as the periciliary liquid. The viscoelastic behavior of the mucus layer is principally due to long-chain polymers known as mucins. The airway surface liquid is cleared from the lung by ciliary transport, surface tension gradients, and airflow shear forces. This work presents a multiscale model of the effect of airflow shear forces, as exerted by tidal breathing and cough, upon clearance. The composition of the mucus layer is complex and variable in time. To avoid the restrictions imposed by adopting a viscoelastic flow model of limited validity, a multiscale computational model is introduced in which the continuum-level properties of the airway surface liquid are determined by microscopic simulation of long-chain polymers. A bridge between microscopic and continuum levels is constructed through a kinetic-level probability density function describing polymer chain configurations. The overall multiscale framework is especially suited to biological problems due to the flexibility afforded in specifying microscopic constituents, and examining the effects of various constituents upon overall mucus transport at the continuum scale.

  7. Continuum modelling of pantographic sheets for out-of-plane bifurcation and vibrational analysis

    Science.gov (United States)

    Giorgio, I.; Rizzi, N. L.; Turco, E.

    2017-11-01

    A nonlinear two-dimensional (2D) continuum with a latent internal structure is introduced as a coarse model of a plane network of beams which, in turn, is assumed as a model of a pantographic structure made up by two families of equispaced beams, superimposed and connected by pivots. The deformation measures of the beams of the network and that of the 2D body are introduced and the former are expressed in terms of the latter by making some kinematical assumptions. The expressions for the strain and kinetic energy densities of the network are then introduced and given in terms of the kinematic quantities of the 2D continuum. To account for the modelling abilities of the 2D continuum in the linear range, the eigenmode and eigenfrequencies of a given specimen are determined. The buckling and post-buckling behaviour of the same specimen, subjected to two different loading conditions are analysed as tests in the nonlinear range. The problems have been solved numerically by means of the COMSOL Multiphysics finite element software.

  8. Combined discrete particle and continuum model predicting solid-state fermentation in a drum fermentor.

    Science.gov (United States)

    Schutyser, M A I; Briels, W J; Boom, R M; Rinzema, A

    2004-05-20

    The development of mathematical models facilitates industrial (large-scale) application of solid-state fermentation (SSF). In this study, a two-phase model of a drum fermentor is developed that consists of a discrete particle model (solid phase) and a continuum model (gas phase). The continuum model describes the distribution of air in the bed injected via an aeration pipe. The discrete particle model describes the solid phase. In previous work, mixing during SSF was predicted with the discrete particle model, although mixing simulations were not carried out in the current work. Heat and mass transfer between the two phases and biomass growth were implemented in the two-phase model. Validation experiments were conducted in a 28-dm3 drum fermentor. In this fermentor, sufficient aeration was provided to control the temperatures near the optimum value for growth during the first 45-50 hours. Several simulations were also conducted for different fermentor scales. Forced aeration via a single pipe in the drum fermentors did not provide homogeneous cooling in the substrate bed. Due to large temperature gradients, biomass yield decreased severely with increasing size of the fermentor. Improvement of air distribution would be required to avoid the need for frequent mixing events, during which growth is hampered. From these results, it was concluded that the two-phase model developed is a powerful tool to investigate design and scale-up of aerated (mixed) SSF fermentors. Copyright 2004 Wiley Periodicals, Inc.

  9. Ionic Solution: What Goes Right and Wrong with Continuum Solvation Modeling.

    Science.gov (United States)

    Wang, Changhao; Ren, Pengyu; Luo, Ray

    2017-12-14

    Solvent-mediated electrostatic interactions were well recognized to be important in the structure and function of molecular systems. Ionic interaction is an important component in electrostatic interactions, especially in highly charged molecules, such as nucleic acids. Here, we focus on the quality of the widely used Poisson-Boltzmann surface area (PBSA) continuum models in modeling ionic interactions by comparing with both explicit solvent simulations and the experiment. In this work, the molality-dependent chemical potentials for sodium chloride (NaCl) electrolyte were first simulated in the SPC/E explicit solvent. Our high-quality simulation agrees well with both the previous study and the experiment. Given the free-energy simulations in SPC/E as the benchmark, we used the same sets of snapshots collected in the SPC/E solvent model for PBSA free-energy calculations in the hope to achieve the maximum consistency between the two solvent models. Our comparative analysis shows that the molality-dependent chemical potentials of NaCl were reproduced well with both linear PB and nonlinear PB methods, although nonlinear PB agrees better with SPC/E and the experiment. Our free-energy simulations also show that the presence of salt increases the hydrophobic effect in a nonlinear fashion, in qualitative agreement with previous theoretical studies of Onsager and Samaras. However, the lack of molality-dependency in the nonelectrostatics continuum models dramatically reduces the overall quality of PBSA methods in modeling salt-dependent energetics. These analyses point to further improvements needed for more robust modeling of solvent-mediated interactions by the continuum solvation frameworks.

  10. Shell model with several particles in the continuum: application to the two-proton decay

    International Nuclear Information System (INIS)

    Rotureau, J.

    2005-02-01

    The recent experimental results concerning nuclei at the limit of stability close to the drip-lines and in particular the two-proton emitters require a development of new methodologies to reliably calculate and understand properties of those exotic physical systems. In this work we have extended the Shell Model Embedded in the Continuum (SMEC) in order to describe the coupling with two particles in the scattering continuum. We have obtained a microscopic description of the two-proton emission that takes into account the antisymmetrization of the total wavefunction, the configuration mixing and the three-body asymptotics. We have studied the decay of the 1 2 - state in 18 Ne in two limiting cases: (i) a sequential emission of two protons through the correlated continuum of 17 F and (ii) emission of 2 He cluster that disintegrates because of the final state interaction (diproton emission). Independently of the choice of the effective interaction we have observed that the two-proton emission of the 1 2 - in 18 Ne is mainly a sequential process; the ratio between the widths of the diproton emission and the sequential decay does not exceed 8% in any case. (author)

  11. A continuum constitutive model for the mechanical behavior of woven fabrics

    Energy Technology Data Exchange (ETDEWEB)

    King, M.J.; Jearanaisilawong, P.; Socrate, S. [Massachusetts Institute of Technology, Cambridge, MA (United States). Dept. of Mechanical Engineering

    2005-06-01

    We propose a new approach for developing continuum models for the mechanical behavior of woven fabrics in planar deformation. We generate a physically motivated continuum model that can both simulate existing fabrics and predict the behavior of novel fabrics based on the properties of the yarns and the weave. The approach relies on the selection of a geometric model for the fabric weave, coupled with constitutive models for the yarn behaviors. The fabric structural configuration is related to the macroscopic deformation through an energy minimization method, and is used to calculate the internal forces carried by the yarn families. The macroscopic stresses are determined from the internal forces using equilibrium arguments. Using this approach, we develop a model for plain weave ballistic fabrics, such as Kevlar, based on a pin-joined beam geometry. We implement this model into the finite element code ABAQUS and simulate fabrics under different modes of deformation. We present comparisons between model predictions and experimental findings for quasi-static modes of in-plane loading. (author)

  12. Mathematical toy model inspired by the problem of the adaptive origins of the sexual orientation continuum

    Science.gov (United States)

    Skinner, Brian

    2016-09-01

    Same-sex sexual behaviour is ubiquitous in the animal kingdom, but its adaptive origins remain a prominent puzzle. Here, I suggest the possibility that same-sex sexual behaviour arises as a consequence of the competition between an evolutionary drive for a wide diversity in traits, which improves the adaptability of a population, and a drive for sexual dichotomization of traits, which promotes opposite-sex attraction and increases the rate of reproduction. This trade-off is explored via a simple mathematical `toy model'. The model exhibits a number of interesting features and suggests a simple mathematical form for describing the sexual orientation continuum.

  13. Polar-coordinate lattice Boltzmann modeling of compressible flows

    Science.gov (United States)

    Lin, Chuandong; Xu, Aiguo; Zhang, Guangcai; Li, Yingjun; Succi, Sauro

    2014-01-01

    We present a polar coordinate lattice Boltzmann kinetic model for compressible flows. A method to recover the continuum distribution function from the discrete distribution function is indicated. Within the model, a hybrid scheme being similar to, but different from, the operator splitting is proposed. The temporal evolution is calculated analytically, and the convection term is solved via a modified Warming-Beam (MWB) scheme. Within the MWB scheme a suitable switch function is introduced. The current model works not only for subsonic flows but also for supersonic flows. It is validated and verified via the following well-known benchmark tests: (i) the rotational flow, (ii) the stable shock tube problem, (iii) the Richtmyer-Meshkov (RM) instability, and (iv) the Kelvin-Helmholtz instability. As an original application, we studied the nonequilibrium characteristics of the system around three kinds of interfaces, the shock wave, the rarefaction wave, and the material interface, for two specific cases. In one of the two cases, the material interface is initially perturbed, and consequently the RM instability occurs. It is found that the macroscopic effects due to deviating from thermodynamic equilibrium around the material interface differ significantly from those around the mechanical interfaces. The initial perturbation at the material interface enhances the coupling of molecular motions in different degrees of freedom. The amplitude of deviation from thermodynamic equilibrium around the shock wave is much higher than those around the rarefaction wave and material interface. By comparing each component of the high-order moments and its value in equilibrium, we can draw qualitatively the main behavior of the actual distribution function. These results deepen our understanding of the mechanical and material interfaces from a more fundamental level, which is indicative for constructing macroscopic models and other kinds of kinetic models.

  14. An extended continuum model accounting for the driver's timid and aggressive attributions

    International Nuclear Information System (INIS)

    Cheng, Rongjun; Ge, Hongxia; Wang, Jufeng

    2017-01-01

    Considering the driver's timid and aggressive behaviors simultaneously, a new continuum model is put forwarded in this paper. By applying the linear stability theory, we presented the analysis of new model's linear stability. Through nonlinear analysis, the KdV–Burgers equation is derived to describe density wave near the neutral stability line. Numerical results verify that aggressive driving is better than timid act because the aggressive driver will adjust his speed timely according to the leading car's speed. The key improvement of this new model is that the timid driving deteriorates traffic stability while the aggressive driving will enhance traffic stability. The relationship of energy consumption between the aggressive and timid driving is also studied. Numerical results show that aggressive driver behavior can not only suppress the traffic congestion but also reduce the energy consumption. - Highlights: • A new continuum model is developed with the consideration of the driver's timid and aggressive behaviors simultaneously. • Applying the linear stability theory, the new model's linear stability is obtained. • Through nonlinear analysis, the KdV–Burgers equation is derived. • The energy consumption for this model is studied.

  15. An extended continuum model accounting for the driver's timid and aggressive attributions

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Rongjun; Ge, Hongxia [Faculty of Maritime and Transportation, Ningbo University, Ningbo 315211 (China); Jiangsu Province Collaborative Innovation Center for Modern Urban Traffic Technologies, Nanjing 210096 (China); National Traffic Management Engineering and Technology Research Centre Ningbo University Sub-centre, Ningbo 315211 (China); Wang, Jufeng, E-mail: wjf@nit.zju.edu.cn [Ningbo Institute of Technology, Zhejiang University, Ningbo 315100 (China)

    2017-04-18

    Considering the driver's timid and aggressive behaviors simultaneously, a new continuum model is put forwarded in this paper. By applying the linear stability theory, we presented the analysis of new model's linear stability. Through nonlinear analysis, the KdV–Burgers equation is derived to describe density wave near the neutral stability line. Numerical results verify that aggressive driving is better than timid act because the aggressive driver will adjust his speed timely according to the leading car's speed. The key improvement of this new model is that the timid driving deteriorates traffic stability while the aggressive driving will enhance traffic stability. The relationship of energy consumption between the aggressive and timid driving is also studied. Numerical results show that aggressive driver behavior can not only suppress the traffic congestion but also reduce the energy consumption. - Highlights: • A new continuum model is developed with the consideration of the driver's timid and aggressive behaviors simultaneously. • Applying the linear stability theory, the new model's linear stability is obtained. • Through nonlinear analysis, the KdV–Burgers equation is derived. • The energy consumption for this model is studied.

  16. A Continuum Damage Mechanics Model to Predict Kink-Band Propagation Using Deformation Gradient Tensor Decomposition

    Science.gov (United States)

    Bergan, Andrew C.; Leone, Frank A., Jr.

    2016-01-01

    A new model is proposed that represents the kinematics of kink-band formation and propagation within the framework of a mesoscale continuum damage mechanics (CDM) model. The model uses the recently proposed deformation gradient decomposition approach to represent a kink band as a displacement jump via a cohesive interface that is embedded in an elastic bulk material. The model is capable of representing the combination of matrix failure in the frame of a misaligned fiber and instability due to shear nonlinearity. In contrast to conventional linear or bilinear strain softening laws used in most mesoscale CDM models for longitudinal compression, the constitutive response of the proposed model includes features predicted by detailed micromechanical models. These features include: 1) the rotational kinematics of the kink band, 2) an instability when the peak load is reached, and 3) a nonzero plateau stress under large strains.

  17. A nonlocal multiscale discrete-continuum digital rock physics model at pendular regime

    Science.gov (United States)

    Sun, W.; Liu, Y.; Yuan, Z.; Fish, J.

    2014-12-01

    We propose a nonlocal multiscale framework that couples grain-scale micro-structural simulations of porous media with a macroscopic continuum-based finite element model at pendular regime. The upshot of this nonlocal coupling model is that it retains the simplicity and efficiency of the continuum-based finite element model, while possessing the original length scale of the microstructure. In particular, the collective mechanical responses of grains at material points are homogenized via a staggered nonlocal operator applied on local regions such that the multiscale simulations exhibit no pathological mesh dependence. Since granular materials may appear to be incompressible at critical state, we employ a one-point quadrature integration rule to relax the solution, while using hourglass control to eliminate the zero-energy modes. Numerical examples are used to analyze the onset and propagation of shear bands in granular materials. Finally, the robustness and accuracy of the proposed multiscale model are verified in comparisons with single-scale benchmark microstructural simulations. The nonlocal multiscale coupling scheme is able to capture the plastic dilatancy and pressure-sensitive frictional responses commonly observed inside dilatant shear bands, and replicate the anisotropy induced by the liquid-bridge and contact fabrics, without employing any phenomenological plasticity model or water-retention curve at macroscopic level.

  18. Implementing a continuum of care model for older people - results from a Swedish case study

    Directory of Open Access Journals (Sweden)

    Anna Duner

    2011-11-01

    Full Text Available Introduction: There is a need for integrated care and smooth collaboration between care-providing organisations and professions to create a continuum of care for frail older people. However, collaboration between organisations and professions is often problematic. The aim of this study was to examine the process of implementing a new continuum of care model in a complex organisational context, and illuminate some of the challenges involved. The introduced model strived to connect three organisations responsible for delivering health and social care to older people: the regional hospital, primary health care and municipal eldercare.Methods: The actions of the actors involved in the process of implementing the model were understood to be shaped by the actors' understanding, commitment and ability. This article is based on 44 qualitative interviews performed on four occasions with 26 key actors at three organisational levels within these three organisations.Results and conclusions: The results point to the importance of paying regard to the different cultures of the organisations when implementing a new model. The role of upper management emerged as very important. Furthermore, to be accepted, the model has to be experienced as effectively dealing with real problems in the everyday practice of the actors in the organisations, from the bottom to the top.

  19. Continuum modelling of pedestrian flows - Part 2: Sensitivity analysis featuring crowd movement phenomena

    Science.gov (United States)

    Duives, Dorine C.; Daamen, Winnie; Hoogendoorn, Serge P.

    2016-04-01

    In recent years numerous pedestrian simulation tools have been developed that can support crowd managers and government officials in their tasks. New technologies to monitor pedestrian flows are in dire need of models that allow for rapid state-estimation. Many contemporary pedestrian simulation tools model the movements of pedestrians at a microscopic level, which does not provide an exact solution. Macroscopic models capture the fundamental characteristics of the traffic state at a more aggregate level, and generally have a closed form solution which is necessary for rapid state estimation for traffic management purposes. This contribution presents a next step in the calibration and validation of the macroscopic continuum model detailed in Hoogendoorn et al. (2014). The influence of global and local route choice on the development of crowd movement phenomena, such as dissipation, lane-formation and stripe-formation, is studied. This study shows that most self-organization phenomena and behavioural trends only develop under very specific conditions, and as such can only be simulated using specific parameter sets. Moreover, all crowd movement phenomena can be reproduced by means of the continuum model using one parameter set. This study concludes that the incorporation of local route choice behaviour and the balancing of the aptitude of pedestrians with respect to their own class and other classes are both essential in the correct prediction of crowd movement dynamics.

  20. Modeling diffusion coefficients in binary mixtures of polar and non-polar compounds

    DEFF Research Database (Denmark)

    Medvedev, Oleg; Shapiro, Alexander

    2005-01-01

    The theory of transport coefficients in liquids, developed previously, is tested on a description of the diffusion coefficients in binary polar/non-polar mixtures, by applying advanced thermodynamic models. Comparison to a large set of experimental data shows good performance of the model. Only...

  1. Modeling flow in fractured medium. Uncertainty analysis with stochastic continuum approach

    International Nuclear Information System (INIS)

    Niemi, A.

    1994-01-01

    For modeling groundwater flow in formation-scale fractured media, no general method exists for scaling the highly heterogeneous hydraulic conductivity data to model parameters. The deterministic approach is limited in representing the heterogeneity of a medium and the application of fracture network models has both conceptual and practical limitations as far as site-scale studies are concerned. The study investigates the applicability of stochastic continuum modeling at the scale of data support. No scaling of the field data is involved, and the original variability is preserved throughout the modeling. Contributions of various aspects to the total uncertainty in the modeling prediction can also be determined with this approach. Data from five crystalline rock sites in Finland are analyzed. (107 refs., 63 figs., 7 tabs.)

  2. Continuum modeling of projectile impact and penetration in dry granular media

    Science.gov (United States)

    Dunatunga, Sachith; Kamrin, Ken

    2017-03-01

    Modeling of impact into granular substrates is a topic of growing interest over the last decade. We present a fully continuum approach for this problem, which is shown to capture an array of experimentally observed behavior with regard to the intruder penetration dynamics as well as the flow and stress response of the granular media. The intruder is modeled as a stiff elastic body and the dry granular bulk is modeled using a 'trans-phase' constitutive relation. This relation has an elasto-viscoplastic response with pressure- and rate-sensitive yield behavior given by the μ (I) inertial rheology when the granular free volume is below a critical value. Above this critical value, the material is deemed to separate and is treated as a disconnected, stress-free medium. The Material Point Method is used to implement the impact problem numerically. Validations are conducted against a wide set of experimental data with a common granular material, which allows use of a single model calibration to test the agreement. In particular, continuum simulations of projectile impact with different shaped intruders and different impact energies show good agreement with experiments regarding of time-of-flight, penetration depth, and Poncelet drag force coefficients. Simultaneously, good agreement with experiments is found regarding the response of the granular media during impact, such as the pressure wave propagation process during the initial stage of impact, the flow fields that develop under the moving intruder, and the free-surface dynamics.

  3. Continuum Damage Mechanics Models for the Analysis of Progressive Failure in Open-Hole Tension Laminates

    Science.gov (United States)

    Song, Kyonchan; Li, Yingyong; Rose, Cheryl A.

    2011-01-01

    The performance of a state-of-the-art continuum damage mechanics model for interlaminar damage, coupled with a cohesive zone model for delamination is examined for failure prediction of quasi-isotropic open-hole tension laminates. Limitations of continuum representations of intra-ply damage and the effect of mesh orientation on the analysis predictions are discussed. It is shown that accurate prediction of matrix crack paths and stress redistribution after cracking requires a mesh aligned with the fiber orientation. Based on these results, an aligned mesh is proposed for analysis of the open-hole tension specimens consisting of different meshes within the individual plies, such that the element edges are aligned with the ply fiber direction. The modeling approach is assessed by comparison of analysis predictions to experimental data for specimen configurations in which failure is dominated by complex interactions between matrix cracks and delaminations. It is shown that the different failure mechanisms observed in the tests are well predicted. In addition, the modeling approach is demonstrated to predict proper trends in the effect of scaling on strength and failure mechanisms of quasi-isotropic open-hole tension laminates.

  4. Literature Reviews on Modeling Internal Geometry of Textile Composites and Rate-Independent Continuum Damage

    Science.gov (United States)

    Su-Yuen, Hsu

    2011-01-01

    Textile composite materials have good potential for constructing composite structures where the effects of three-dimensional stresses are critical or geometric complexity is a manufacturing concern. There is a recent interest in advancing competence within Langley Research Center for modeling the degradation of mechanical properties of textile composites. In an initial effort, two critical areas are identified to pursue: (1) Construction of internal geometry of textile composites, and (2) Rate-independent continuum damage mechanics. This report documents reviews on the two subjects. Various reviewed approaches are categorized, their assumptions, methods, and progress are briefed, and then critiques are presented. Each review ends with recommended research.

  5. Teaching Genetic Counseling Skills: Incorporating a Genetic Counseling Adaptation Continuum Model to Address Psychosocial Complexity.

    Science.gov (United States)

    Shugar, Andrea

    2017-04-01

    Genetic counselors are trained health care professionals who effectively integrate both psychosocial counseling and information-giving into their practice. Preparing genetic counseling students for clinical practice is a challenging task, particularly when helping them develop effective and active counseling skills. Resistance to incorporating these skills may stem from decreased confidence, fear of causing harm or a lack of clarity of psycho-social goals. The author reflects on the personal challenges experienced in teaching genetic counselling students to work with psychological and social complexity, and proposes a Genetic Counseling Adaptation Continuum model and methodology to guide students in the use of advanced counseling skills.

  6. Modeling spontaneous chiral symmetry breaking and deracemization phenomena: discrete versus continuum approaches.

    Science.gov (United States)

    Blanco, Celia; Ribó, Josep M; Hochberg, David

    2015-02-01

    We derive the class of population balance equations (PBE), recently applied to model the Viedma deracemization experiment, from an underlying microreversible kinetic reaction scheme. The continuum limit establishing the relationship between the micro- and macroscopic processes and the associated particle fluxes erases the microreversible nature of the molecular interactions in the population growth rate functions and limits the scope of such PBE models to strict kinetic control. The irreversible binary agglomeration processes modeled in those PBEs contribute an additional source of kinetic control. These limitations are crucial regarding the question of the origin of biological homochirality, where the interest in any model lies precisely in its ability for absolute asymmetric synthesis and the amplification of the tiny inherent statistical chiral fluctuations about the ideal racemic composition up to observable enantiometric excess levels.

  7. Continuum theory for nanotube piezoelectricity.

    Science.gov (United States)

    Michalski, P J; Sai, Na; Mele, E J

    2005-09-09

    We develop and solve a continuum theory for the piezoelectric response of one-dimensional nanotubes and nanowires, and apply the theory to study electromechanical effects in boron-nitride nanotubes. We find that the polarization of a nanotube depends on its aspect ratio, and a dimensionless constant specifying the ratio of the strengths of the elastic and electrostatic interactions. The solutions of the model as these two parameters are varied are discussed. The theory is applied to estimate the electric potential induced along the length of a boron-nitride nanotube in response to a uniaxial stress.

  8. Rheological-dynamical continuum damage model for concrete under uniaxial compression and its experimental verification

    Directory of Open Access Journals (Sweden)

    Milašinović Dragan D.

    2015-01-01

    Full Text Available A new analytical model for the prediction of concrete response under uniaxial compression and its experimental verification is presented in this paper. The proposed approach, referred to as the rheological-dynamical continuum damage model, combines rheological-dynamical analogy and damage mechanics. Within the framework of this approach the key continuum parameters such as the creep coefficient, Poisson’s ratio and damage variable are functionally related. The critical values of the creep coefficient and damage variable under peak stress are used to describe the failure mode of the concrete cylinder. The ultimate strain is determined in the post-peak regime only, using the secant stress-strain relation from damage mechanics. The post-peak branch is used for the energy analysis. Experimental data for five concrete compositions were obtained during the examination presented herein. The principal difference between compressive failure and tensile fracture is that there is a residual stress in the specimens, which is a consequence of uniformly accelerated motion of load during the examination of compressive strength. The critical interpenetration displacements and crushing energy are obtained theoretically based on the concept of global failure analysis. [Projekat Ministarstva nauke Republike Srbije, br. ON 174027: Computational Mechanics in Structural Engineering i br. TR 36017: Utilization of by-products and recycled waste materials in concrete composites for sustainable construction development in Serbia: Investigation and environmental assessment of possible applications

  9. Angle-correlated cross sections in the framework of the continuum shell model

    International Nuclear Information System (INIS)

    Moerschel, K.P.

    1984-01-01

    In the present thesis in the framework of the continuum shell modell a concept for the treatment of angle-correlated cross sections was developed by which coincidence experiments on electron scattering on nuclei are described. For this the existing Darmstadt continuum-shell-model code had to be extended to the calculation of the correlation coefficients in which nuclear dynamics enter and which determine completely the angle-correlated cross sections. Under inclusion of the kinematics a method for the integration over the scattered electron was presented and used for the comparison with corresponding experiments. As application correlation coefficients for the proton channel in 12 C with 1 - and 2 + excitations were studied. By means of these coefficients finally cross sections for the reaction 12 C (e,p) 11 B could be calculated and compared with the experiment whereby the developed methods were proved as suitable to predict correctly both the slope and the quantity of the experimental cross sections. (orig.) [de

  10. A contribution to the modeling of metal plasticity and fracture: From continuum to discrete descriptions

    Science.gov (United States)

    Keralavarma, Shyam Mohan

    The objective of this dissertation is to further the understanding of inelastic behavior in metallic materials. Despite the increasing use of polymeric composites in aircraft structures, high specific strength metals continue to be used in key components such as airframe, fuselage, wings, landing gear and hot engine parts. Design of metallic structures subjected to thermomechanical extremes in aerospace, automotive and nuclear applications requires consideration of the plasticity, creep and fracture behavior of these materials. Consideration of inelasticity and damage processes is also important in the design of metallic components used in functional applications such as thin films, flexible electronics and micro electro mechanical systems. Fracture mechanics has been largely successful in modeling damage and failure phenomena in a host of engineering materials. In the context of ductile metals, the Gurson void growth model remains one of the most successful and widely used models. However, some well documented limitations of the model in quantitative prediction of the fracture strains and failure modes at low triaxialities may be traceable to the limited representation of the damage microstructure in the model. In the first part of this dissertation, we develop an extended continuum model of void growth that takes into account details of the material microstructure such as the texture of the plastically deforming matrix and the evolution of the void shape. The need for such an extension is motivated by a detailed investigation of the effects of the two types of anisotropy on the materials' effective response using finite element analysis. The model is derived using the Hill--Mandel homogenization theory and an approximate limit analysis of a porous representative volume element. Comparisons with several numerical studies are presented towards a partial validation of the analytical model. Inelastic phenomena such as plasticity and creep result from the collective

  11. Coupled Hybrid Continuum-Discrete Model of Tumor Angiogenesis and Growth.

    Directory of Open Access Journals (Sweden)

    Jie Lyu

    Full Text Available The processes governing tumor growth and angiogenesis are codependent. To study the relationship between them, we proposed a coupled hybrid continuum-discrete model. In this model, tumor cells, their microenvironment (extracellular matrixes, matrix-degrading enzymes, and tumor angiogenic factors, and their network of blood vessels, described by a series of discrete points, were considered. The results of numerical simulation reveal the process of tumor growth and the change in microenvironment from avascular to vascular stage, indicating that the network of blood vessels develops gradually as the tumor grows. Our findings also reveal that a tumor is divided into three regions: necrotic, semi-necrotic, and well-vascularized. The results agree well with the previous relevant studies and physiological facts, and this model represents a platform for further investigations of tumor therapy.

  12. Kinematics Modelling of Tendon-Driven Continuum Manipulator with Crossed Notches

    Science.gov (United States)

    Yang, Z. X.; Yang, W. L.; Du, Z. J.

    2018-03-01

    Single port surgical robot (SPSR) is a giant leap in the development of minimally invasive surgical robot. An innovative manipulator with high control accuracy and good kinematic dexterity can reduce wound, expedite recovery, and improve the success rate. This paper presents a tendon-driven continuum manipulator with crossed notches. This manipulator has two degrees of freedom (DOF), which possesses good flexibility and high capacity. Then based on cantilever beam theory, a mechanics model is proposed, which connects external force and deformation of a single flexible ring (SFR). By calculating the deformation of each SFR, the manipulator is considered as a series robot whose joint numbers is equal to SFR numbers, and the kinematics model is established through Denavit-Hartenberg (D-H) procedure. In this paper, the total manipulator is described as a curve tube whose curvature is increased from tip to base. Experiments were conducted and the comparison between theoretical and actual results proved the rationality of the models.

  13. Continuum mechanical model for cross-linked actin networks with contractile bundles

    Science.gov (United States)

    Ferreira, J. P. S.; Parente, M. P. L.; Natal Jorge, R. M.

    2018-01-01

    In the context of a mechanical approach to cell biology, there is a close relationship between cellular function and mechanical properties. In recent years, an increasing amount of attention has been given to the coupling between biochemical and mechanical signals by means of constitutive models. In particular, on the active contractility of the actin cytoskeleton. Given the importance of the actin contraction on the physiological functions, this study propose a constitutive model to describe how the filamentous network controls its mechanics actively. Embedded in a soft isotropic ground substance, the network behaves as a viscous mechanical continuum, comprised of isotropically distributed cross-linked actin filaments and actomyosin bundles. Trough virtual rheometry experiments, the present model relates the dynamics of the myosin motors with the network stiffness, which is to a large extent governed by the time-scale of the applied deformations/forces.

  14. 3D continuum phonon model for group-IV 2D materials

    KAUST Repository

    Willatzen, Morten

    2017-06-30

    A general three-dimensional continuum model of phonons in two-dimensional materials is developed. Our first-principles derivation includes full consideration of the lattice anisotropy and flexural modes perpendicular to the layers and can thus be applied to any two-dimensional material. In this paper, we use the model to not only compare the phonon spectra among the group-IV materials but also to study whether these phonons differ from those of a compound material such as molybdenum disulfide. The origin of quadratic modes is clarified. Mode coupling for both graphene and silicene is obtained, contrary to previous works. Our model allows us to predict the existence of confined optical phonon modes for the group-IV materials but not for molybdenum disulfide. A comparison of the long-wavelength modes to density-functional results is included.

  15. 3D continuum phonon model for group-IV 2D materials.

    Science.gov (United States)

    Willatzen, Morten; Lew Yan Voon, Lok C; Gandi, Appala Naidu; Schwingenschlögl, Udo

    2017-01-01

    A general three-dimensional continuum model of phonons in two-dimensional materials is developed. Our first-principles derivation includes full consideration of the lattice anisotropy and flexural modes perpendicular to the layers and can thus be applied to any two-dimensional material. In this paper, we use the model to not only compare the phonon spectra among the group-IV materials but also to study whether these phonons differ from those of a compound material such as molybdenum disulfide. The origin of quadratic modes is clarified. Mode coupling for both graphene and silicene is obtained, contrary to previous works. Our model allows us to predict the existence of confined optical phonon modes for the group-IV materials but not for molybdenum disulfide. A comparison of the long-wavelength modes to density-functional results is included.

  16. Creep Tests and Modeling Based on Continuum Damage Mechanics for T91 and T92 Steels

    Science.gov (United States)

    Pan, J. P.; Tu, S. H.; Zhu, X. W.; Tan, L. J.; Hu, B.; Wang, Q.

    2017-12-01

    9-11%Cr ferritic steels play an important role in high-temperature and high-pressure boilers of advanced power plants. In this paper, a continuum damage mechanics (CDM)-based creep model was proposed to study the creep behavior of T91 and T92 steels at high temperatures. Long-time creep tests were performed for both steels under different conditions. The creep rupture data and creep curves obtained from creep tests were captured well by theoretical calculation based on the CDM model over a long creep time. It is shown that the developed model is able to predict creep data for the two ferritic steels accurately up to tens of thousands of hours.

  17. Polarization transfer in inelastic scattering and pionic models of the EMC effect

    International Nuclear Information System (INIS)

    Carey, T.A.; Jones, K.W.; McClelland, J.B.; Moss, J.M.; Rees, L.B.; Tanaka, N.; Bacher, A.D.

    1985-01-01

    The aim of the experiment reported was to make a precise test of the enhanced pion field model in a medium-energy scattering experiment. The quantity probed is the spin-longitudinal response function, a measure of the nuclear pion density which is used explicitly in the pion-excess models of the EMC effect. The point of reference used is deuterium. The spin-dependent response functions for heavy targets and 2 H are compared using identical experimental techniques. The technique of complete polarization transfer is used to separate the spin-longitudinal and spin-transverse response in the continuum. The experiment consisted of precise determinations of the polarization transfer coefficients for 500 MeV protons inelastically scattered from Pb, Ca, and 2 H. The experiment utilized longitudinal, sideways, and normal polarized beams in conjunction with final polarization analysis from the focal-plane polarimeter of the high-resolution spectrometer. Quantities constructed from these data are the longitudinal and transverse spin-flip probabilities. Calculations were performed of the ratio of longitudinal to transverse response functions and of the EMC effect with the same model. No evidence was found for collectivity in the isovector spin-longitudinal response function. 10 refs

  18. Nonlinear analysis of an improved continuum model considering headway change with memory

    Science.gov (United States)

    Cheng, Rongjun; Wang, Jufeng; Ge, Hongxia; Li, Zhipeng

    2018-01-01

    Considering the effect of headway changes with memory, an improved continuum model of traffic flow is proposed in this paper. By means of linear stability theory, the new model’s linear stability with the effect of headway changes with memory is obtained. Through nonlinear analysis, the KdV-Burgers equation is derived to describe the propagating behavior of traffic density wave near the neutral stability line. Numerical simulation is carried out to study the improved traffic flow model, which explores how the headway changes with memory affected each car’s velocity, density and energy consumption. Numerical results show that when considering the effects of headway changes with memory, the traffic jams can be suppressed efficiently. Furthermore, research results demonstrate that the effect of headway changes with memory can avoid the disadvantage of historical information, which will improve the stability of traffic flow and minimize car energy consumption.

  19. A 2D model of causal set quantum gravity: the emergence of the continuum

    International Nuclear Information System (INIS)

    Brightwell, Graham; Henson, Joe; Surya, Sumati

    2008-01-01

    Non-perturbative theories of quantum gravity inevitably include configurations that fail to resemble physically reasonable spacetimes at large scales. Often, these configurations are entropically dominant and pose an obstacle to obtaining the desired classical limit. We examine this 'entropy problem' in a model of causal set quantum gravity corresponding to a discretization of 2D spacetimes. Using results from the theory of partial orders we show that, in the large volume or continuum limit, its partition function is dominated by causal sets which approximate to a region of 2D Minkowski space. This model of causal set quantum gravity thus overcomes the entropy problem and predicts the emergence of a physically reasonable geometry

  20. Fracture simulation of restored teeth using a continuum damage mechanics failure model.

    Science.gov (United States)

    Li, Haiyan; Li, Jianying; Zou, Zhenmin; Fok, Alex Siu-Lun

    2011-07-01

    The aim of this paper is to validate the use of a finite-element (FE) based continuum damage mechanics (CDM) failure model to simulate the debonding and fracture of restored teeth. Fracture testing of plastic model teeth, with or without a standard Class-II MOD (mesial-occusal-distal) restoration, was carried out to investigate their fracture behavior. In parallel, 2D FE models of the teeth are constructed and analyzed using the commercial FE software ABAQUS. A CDM failure model, implemented into ABAQUS via the user element subroutine (UEL), is used to simulate the debonding and/or final fracture of the model teeth under a compressive load. The material parameters needed for the CDM model to simulate fracture are obtained through separate mechanical tests. The predicted results are then compared with the experimental data of the fracture tests to validate the failure model. The failure processes of the intact and restored model teeth are successfully reproduced by the simulation. However, the fracture parameters obtained from testing small specimens need to be adjusted to account for the size effect. The results indicate that the CDM model is a viable model for the prediction of debonding and fracture in dental restorations. Copyright © 2011 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  1. Towards an integrated and multi-scale model of the land-sea continuum

    Science.gov (United States)

    De Maet, T.; Hanert, E.

    2012-04-01

    The land-sea continuum is home to a rich and complex system, controlled by strong exchanges of material and energy between land, sea and atmosphere. All the elements of such a system have to be taken into account to understand the whole process, which means explicitly linking together the watersheds, rivers, estuaries and coastal seas. A central issue is that the involved processes take place at very different scales in space and time. To overcome this issue, we consider an integrated model using a multi-scale framework, based on the finite element method (FEM) and unstructured meshes. In this presentation we focus on surface and subsurface models which are both fully-explicit for optimal scaling on parallel architectures. These models have been coupled with the hydrodynamical model SLIM1 which is currently able to model the river-estuary-coastal sea continuum. All these models use the discontinuous Galerkin (DG) FEM and include a tracer transport module. The 3D variably saturated groundwater model is based on the Richards equation, the 2D surface water model uses the diffusive wave approximation of the shallow water equation and the 1D river model is based on the full shallow water equation. As the overall model is designed for large scale simulations, we assume that small rivers are included in the surface model. Explicit methods in time allow for perfect parallel scaling and easy coupling. Our explicit model for the saturated-unsaturated subsurface water is robust and fully conservative. It is based on a mixed formulation, using both the pressure head h and the water content θ. On the one hand, θ is used for the unsaturated zone, where it is know to be more efficient. On the other hand h is used for the saturated zone, where θ is constant. To produce an explicit formulation of the Richards equation, we use the false transient method in the saturated zone, where the hydrodynamics is described by an elliptic equation. To allow physical discontinuities between

  2. An effective continuum damage mechanics model for creep-fatigue life assessment of a steam turbine rotor

    International Nuclear Information System (INIS)

    JianPing, Jing; Guang, Meng; Yi, Sun; SongBo, Xia

    2003-01-01

    A nonlinear Continuum Damage Mechanics model is proposed to assess the creep-fatigue life of a steam turbine rotor, in which the effects of complex multiaxial stress and the coupling of fatigue and creep are taken into account. The nonlinear evolution of damage is also considered. The model is applied to a 600 MW steam turbine under a practical start-stop operation. The results are compared with those from the linear accumulation theory that is dominant in life assessment of steam turbine rotors at present. The comparison show that the nonlinear continuum damage mechanics model describes the accumulation and development of damage better than the linear accumulation theory

  3. A continuum mechanics-based musculo-mechanical model for esophageal transport

    Science.gov (United States)

    Kou, Wenjun; Griffith, Boyce E.; Pandolfino, John E.; Kahrilas, Peter J.; Patankar, Neelesh A.

    2017-11-01

    In this work, we extend our previous esophageal transport model using an immersed boundary (IB) method with discrete fiber-based structural model, to one using a continuum mechanics-based model that is approximated based on finite elements (IB-FE). To deal with the leakage of flow when the Lagrangian mesh becomes coarser than the fluid mesh, we employ adaptive interaction quadrature points to deal with Lagrangian-Eulerian interaction equations based on a previous work (Griffith and Luo [1]). In particular, we introduce a new anisotropic adaptive interaction quadrature rule. The new rule permits us to vary the interaction quadrature points not only at each time-step and element but also at different orientations per element. This helps to avoid the leakage issue without sacrificing the computational efficiency and accuracy in dealing with the interaction equations. For the material model, we extend our previous fiber-based model to a continuum-based model. We present formulations for general fiber-reinforced material models in the IB-FE framework. The new material model can handle non-linear elasticity and fiber-matrix interactions, and thus permits us to consider more realistic material behavior of biological tissues. To validate our method, we first study a case in which a three-dimensional short tube is dilated. Results on the pressure-displacement relationship and the stress distribution matches very well with those obtained from the implicit FE method. We remark that in our IB-FE case, the three-dimensional tube undergoes a very large deformation and the Lagrangian mesh-size becomes about 6 times of Eulerian mesh-size in the circumferential orientation. To validate the performance of the method in handling fiber-matrix material models, we perform a second study on dilating a long fiber-reinforced tube. Errors are small when we compare numerical solutions with analytical solutions. The technique is then applied to the problem of esophageal transport. We use two

  4. Microscopic theory of light exotic nuclei. Shell Models Embedded in the Continuum

    International Nuclear Information System (INIS)

    Bennaceur, K.

    1999-01-01

    The recent advances in experimental nuclear physics make it possible to study nuclear systems far from the beta stability line. The discovery of new phenomena, like halos or neutron skins, requires the development of new theoretical models which enable to study these systems. The first part of this work is devoted to the development and the applications of the Shell Model Embedded in the Continuum (SMEC). This new formalism allows to take into account the correlations between the bound and scattering states of loosely bound nuclei. SMEC is applied here to the study of the spectroscopy of the Mirror nuclei 8 B- 8 Li and 17 F- 17 O. It can also be used to calculate the cross sections of the elastic scattering, the Coulomb breakup processes and the radiative n,p capture processes. The results concerning the reactions of astrophysical interest: 18 O(p, γ) 17 F and 7 Be(p, γ) 8 B, are discussed in details. This last reaction is very important because the disintegration of 8 B is the main source of High energy neutrinos in the sun. The second part of this work is related to the analysis of pairing interaction for weakly bound nuclei. We have developed a new approach, based on the Hartree-Fock-Bogolyubov (HFB) theory, that allows to study the pairing correlations between bound and scattering states, both resonant and not resonant ones. The 'particle-hole' potential is replaced by a model potential for which the solutions are analytically known. This method allows to analyse the effect of pairing on bound and resonant states, independently of their energy position. We have clearly demonstrated that the non-resonant continuum plays a crucial role in the loosely bound nuclei and that solving the HFB equations in the coordinate space is the only method that permits to treat this problem correctly. (author)

  5. An effective continuum approach for modeling non-equilibrium structural evolution of protein nanofiber networks.

    Science.gov (United States)

    Cheng, Liang; Englander, Ongi; Paravastu, Anant; Oates, William S

    2011-08-07

    We quantify the formation and evolution of protein nanofibers using a new phase field modeling framework and compare the results to transmission electron microscopy measurements (TEM) and time-dependent growth measurements given in the literature. The modeling framework employs a set of effective continuum equations combined with underlying nanoscale forces and chemical potential relations governing protein nanofiber formation in solution. Calculations based on the theoretical framework are implemented numerically using a nonlinear finite element phase field modeling approach that couples homogenized protein molecular structure via a vector order parameter with chemical potential relations that describe interactions between the nanofibers and the surrounding solution. Homogenized, anisotropic molecular and chemical flux relations are found to be critical in obtaining nanofiber growth from seed particles or a random monomer bath. In addition, the model predicts both sigmoidal and first-order growth kinetics for protein nanofibers for unseeded and seeded models, respectively. These simulations include quantitative predictions on time scales of typical protein self-assembly behavior which qualitatively match TEM measurements of the RADA16-I protein and growth rate measurements for amyloid nanofibers from the literature. For comparisons with experiments, the numerical model performs multiple nanofiber protein evolution simulations with a characteristic length scale of ∼2.4 nm and characteristic time scale of ∼9.1 h. These results provide a new modeling tool that couples underlying monomer structure with self-assembling nanofiber behavior that is compatible with various external loadings and chemical environments.

  6. Kinetic Monte Carlo simulations compared with continuum models and experimental properties of pattern formation during ion beam sputtering

    International Nuclear Information System (INIS)

    Chason, E; Chan, W L

    2009-01-01

    Kinetic Monte Carlo simulations model the evolution of surfaces during low energy ion bombardment using atomic level mechanisms of defect formation, recombination and surface diffusion. Because the individual kinetic processes are completely determined, the resulting morphological evolution can be directly compared with continuum models based on the same mechanisms. We present results of simulations based on a curvature-dependent sputtering mechanism and diffusion of mobile surface defects. The results are compared with a continuum linear instability model based on the same physical processes. The model predictions are found to be in good agreement with the simulations for predicting the early-stage morphological evolution and the dependence on processing parameters such as the flux and temperature. This confirms that the continuum model provides a reasonable approximation of the surface evolution from multiple interacting surface defects using this model of sputtering. However, comparison with experiments indicates that there are many features of the surface evolution that do not agree with the continuum model or simulations, suggesting that additional mechanisms are required to explain the observed behavior.

  7. The KdV—Burgers equation in a modified speed gradient continuum model

    International Nuclear Information System (INIS)

    Lai Ling-Ling; Ge Hong-Xia; Cheng Rong-Jun; Li Zhi-Peng

    2013-01-01

    Based on the full velocity difference model, Jiang et al. put forward the speed gradient model through the micro-macro linkage (Jiang R, Wu Q S and Zhu Z J 2001 Chin. Sci. Bull. 46 345 and Jiang R, Wu Q S and Zhu Z J 2002 Trans. Res. B 36 405). In this paper, the Taylor expansion is adopted to modify the model. The backward travel problem is overcome by our model, which exists in many higher-order continuum models. The neutral stability condition of the model is obtained through the linear stability analysis. Nonlinear analysis shows clearly that the density fluctuation in traffic flow leads to a variety of density waves. Moreover, the Korteweg-de Vries—Burgers (KdV—Burgers) equation is derived to describe the traffic flow near the neutral stability line and the corresponding solution for traffic density wave is derived. The numerical simulation is carried out to investigate the local cluster effects. The results are consistent with the realistic traffic flow and also further verify the results of nonlinear analysis

  8. A continuum-based structural modeling approach for cellulose nanocrystals (CNCs)

    Science.gov (United States)

    Shishehbor, Mehdi; Dri, Fernando L.; Moon, Robert J.; Zavattieri, Pablo D.

    2018-02-01

    We present a continuum-based structural model to study the mechanical behavior of cellulose nanocrystals (CNCs), and analyze the effect of bonded and non-bonded interactions on the mechanical properties under various loading conditions. In particular, this model assumes the uncoupling between the bonded and non-bonded interactions and their behavior is obtained from atomistic simulations. Our results indicates that the major contribution to the tensile and bending stiffness is mainly due to the cellulose chain stiffness, and the shear behavior is mainly governed by Van der Waals (VdW) forces. In addition, we report a negligible torsional stiffness, which may explain the CNC tendency to easily twist under very small or nonexistent torques. In addition, the sensitivity of geometrical imperfection on the mechanical properties using an analytical model of the CNC structure was investigated. Our results indicate that the presence of imperfections have a small influence on the majority of the elastic properties. Finally, it is shown that a simple homogeneous and orthotropic representation of a CNC under bending underestimates the contribution of non-bonded interaction leading up to 60% error in the calculation of the bending stiffness of CNCs. On the other hand, the proposed model can lead to more accurate predictions of the elastic behavior of CNCs. This is the first step toward the development of a more efficient model that can be used to model the inelastic behavior of single and multiple CNCs.

  9. Vertically-Integrated Dual-Continuum Models for CO2 Injection in Fractured Aquifers

    Science.gov (United States)

    Tao, Y.; Guo, B.; Bandilla, K.; Celia, M. A.

    2017-12-01

    Injection of CO2 into a saline aquifer leads to a two-phase flow system, with supercritical CO2 and brine being the two fluid phases. Various modeling approaches, including fully three-dimensional (3D) models and vertical-equilibrium (VE) models, have been used to study the system. Almost all of that work has focused on unfractured formations. 3D models solve the governing equations in three dimensions and are applicable to generic geological formations. VE models assume rapid and complete buoyant segregation of the two fluid phases, resulting in vertical pressure equilibrium and allowing integration of the governing equations in the vertical dimension. This reduction in dimensionality makes VE models computationally more efficient, but the associated assumptions restrict the applicability of VE model to formations with moderate to high permeability. In this presentation, we extend the VE and 3D models for CO2 injection in fractured aquifers. This is done in the context of dual-continuum modeling, where the fractured formation is modeled as an overlap of two continuous domains, one representing the fractures and the other representing the rock matrix. Both domains are treated as porous media continua and can be modeled by either a VE or a 3D formulation. The transfer of fluid mass between rock matrix and fractures is represented by a mass transfer function connecting the two domains. We have developed a computational model that combines the VE and 3D models, where we use the VE model in the fractures, which typically have high permeability, and the 3D model in the less permeable rock matrix. A new mass transfer function is derived, which couples the VE and 3D models. The coupled VE-3D model can simulate CO2 injection and migration in fractured aquifers. Results from this model compare well with a full-3D model in which both the fractures and rock matrix are modeled with 3D models, with the hybrid VE-3D model having significantly reduced computational cost. In

  10. PolarTREC—A Model Program for Taking Polar Literacy into the Future

    Science.gov (United States)

    Warburton, J.; Timm, K.; Larson, A. M.

    2009-12-01

    Polar TREC—Teachers and Researchers Exploring and Collaborating, is a three-year (2007-2009) NSF-funded International Polar Year (IPY) teacher professional development program that advances Science, Technology, Engineering, and Mathematics (STEM) education by improving teacher content knowledge and instructional practices through Teacher Research Experiences (TRE) in the Arctic and Antarctic. Leveraging profound changes and fascinating science taking place in the polar regions, PolarTREC broadly disseminates activities and products to students, educators, researchers, and the public, connecting them with the Arctic and Antarctica and sustaining the widespread interest in the polar regions and building on the enthusiasm that was generated through IPY. Central to the PolarTREC Teacher Research Experience Model, over 40 teachers have spent two to eight weeks participating in hands-on research in the polar regions and sharing their experiences with diverse audiences via live events, online multimedia journals, and interactive bulletin boards. The Connecting Arctic/Antarctic Researchers and Educators (CARE) Network unifies learning community members participants, alumni, and others, developing a sustainable association of education professionals networking to share and apply polar STEM content and pedagogical skills. Educator and student feedback from preliminary results of the program evaluation has shown that PolarTREC’s comprehensive program activities have many positive impacts on educators and their ability to teach science concepts and improve their teaching methods. Additionally, K-12 students polled in interest surveys showed significant changes in key areas including amount of time spent in school exploring research activities, importance of understanding science for future work, importance of understanding the polar regions as a person in today’s world, as well as increased self-reported knowledge and interest in numerous science content areas. Building

  11. Dynamical response of multi-walled carbon nanotube resonators based on continuum mechanics modeling for mass sensing applications

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Myungseok; Olshevskiy, Alexander; Kim, Chang-Wan [Konkuk University, Seoul (Korea, Republic of); Eom, Kilho [Sungkyunkwan University, Suwon (Korea, Republic of); Gwak, Kwanwoong [Sejong University, Seoul (Korea, Republic of); Dai, Mai Duc [Ho Chi Minh City University of Technology and Education, Ho Chi Minh (Viet Nam)

    2017-05-15

    Carbon nanotube (CNT) has recently received much attention due to its excellent electromechanical properties, indicating that CNT can be employed for development of Nanoelectromechanical system (NEMS) such as nanomechanical resonators. For effective design of CNT-based resonators, it is required to accurately predict the vibration behavior of CNT resonators as well as their frequency response to mass adsorption. In this work, we have studied the vibrational behavior of Multi-walled CNT (MWCNT) resonators by using a continuum mechanics modeling that was implemented in Finite element method (FEM). In particular, we consider a transversely isotropic hollow cylinder solid model with Finite element (FE) implementation for modeling the vibration behavior of Multi-walled CNT (MWCNT) resonators. It is shown that our continuum mechanics model provides the resonant frequencies of various MWCNTs being comparable to those obtained from experiments. Moreover, we have investigated the frequency response of MWCNT resonators to mass adsorption by using our continuum model with FE implementation. Our study sheds light on our continuum mechanics model that is useful in predicting not only the vibration behavior of MWCNT resonators but also their sensing performance for further effective design of MWCNT- based NEMS devices.

  12. Unstructured-mesh modeling of the Congo river-to-sea continuum

    Science.gov (United States)

    Bars, Yoann Le; Vallaeys, Valentin; Deleersnijder, Éric; Hanert, Emmanuel; Carrere, Loren; Channelière, Claire

    2016-04-01

    With the second largest outflow in the world and one of the widest hydrological basins, the Congo River is of a major importance both locally and globally. However, relatively few studies have been conducted on its hydrology, as compared to other great rivers such as the Amazon, Nile, Yangtze, or Mississippi. The goal of this study is therefore to help fill this gap and provide the first high-resolution simulation of the Congo river-estuary-coastal sea continuum. To this end, we are using a discontinuous-Galerkin finite element marine model that solves the two-dimensional depth-averaged shallow water equations on an unstructured mesh. To ensure a smooth transition from river to coastal sea, we have considered a model that encompasses both hydrological and coastal ocean processes. An important difficulty in setting up this model was to find data to parameterize and validate it, as it is a rather remote and understudied area. Therefore, an important effort in this study has been to establish a methodology to take advantage of all the data sources available including nautical charts that had to be digitalized. The model surface elevation has then been validated with respect to an altimetric database. Model results suggest the existence of gyres in the vicinity of the river mouth that have never been documented before. The effect of those gyres on the Congo River dynamics has been further investigated by simulating the transport of Lagrangian particles and computing the water age.

  13. The Soil-Plant-Atmosphere Continuum of Mangroves: A Simple Ecohydrological model

    Science.gov (United States)

    Perri, Saverio; Viola, Francesco; Valerio Noto, Leonardo; Molini, Annalisa

    2016-04-01

    Mangroves represent the only forest able to grow at the interface between a terrestrial and a marine habitat. Although globally they have been estimated to account only for 1% of carbon sequestration from forests, as coastal ecosystems they account for about 14% of carbon sequestration by the global ocean. Despite the continuously increasing number of hydrological and ecological field observations, the ecohydrology of mangroves remains largely understudied. Modeling mangrove response to variations in environmental conditions needs to take into account the effect of waterlogging and salinity on transpiration and CO2 assimilation. However, similar ecohydrological models for halophytes are not yet documented in the literature. In this contribution we adapt a Soil-Plant-Atmosphere Continuum (SPAC) model to the mangrove ecosystems. Such SPAC model is based on a macroscopic approach and the transpiration rate is hence obtained by solving the plant and leaf water balance and the leaf energy balance, taking explicitly into account the role of osmotic water potential and salinity in governing plant resistance to water fluxes. Exploiting the well-known coupling of transpiration and CO2 exchange through the stomatal conductance, we also estimate the CO2 assimilation rate. The SPAC is hence tested against experimental data obtained from the literature, showing the reliability and effectiveness of this minimalist approach in reproducing observed processes. Results show that the developed SPAC model is able to realistically simulate the main ecohydrological traits of mangroves, indicating the salinity as a crucial limiting factor for mangrove trees transpiration and CO2 assimilation.

  14. Assessment of continuum mechanics models in predicting buckling strains of single-walled carbon nanotubes.

    Science.gov (United States)

    Zhang, Y Y; Wang, C M; Duan, W H; Xiang, Y; Zong, Z

    2009-09-30

    This paper presents an assessment of continuum mechanics (beam and cylindrical shell) models in the prediction of critical buckling strains of axially loaded single-walled carbon nanotubes (SWCNTs). Molecular dynamics (MD) simulation results for SWCNTs with various aspect (length-to-diameter) ratios and diameters will be used as the reference solutions for this assessment exercise. From MD simulations, two distinct buckling modes are observed, i.e. the shell-type buckling mode, when the aspect ratios are small, and the beam-type mode, when the aspect ratios are large. For moderate aspect ratios, the SWCNTs buckle in a mixed beam-shell mode. Therefore one chooses either the beam or the shell model depending on the aspect ratio of the carbon nanotubes (CNTs). It will be shown herein that for SWCNTs with long aspect ratios, the local Euler beam results are comparable to MD simulation results carried out at room temperature. However, when the SWCNTs have moderate aspect ratios, it is necessary to use the more refined nonlocal beam theory or the Timoshenko beam model for a better prediction of the critical strain. For short SWCNTs with large diameters, the nonlocal shell model with the appropriate small length scale parameter can provide critical strains that are in good agreement with MD results. However, for short SWCNTs with small diameters, more work has to be done to refine the nonlocal cylindrical shell model for better prediction of critical strains.

  15. A Continuum Damage Mechanics Model for the Static and Cyclic Fatigue of Cellular Composites

    Science.gov (United States)

    Huber, Otto

    2017-01-01

    The fatigue behavior of a cellular composite with an epoxy matrix and glass foam granules is analyzed and modeled by means of continuum damage mechanics. The investigated cellular composite is a particular type of composite foam, and is very similar to syntactic foams. In contrast to conventional syntactic foams constituted by hollow spherical particles (balloons), cellular glass, mineral, or metal place holders are combined with the matrix material (metal or polymer) in the case of cellular composites. A microstructural investigation of the damage behavior is performed using scanning electron microscopy. For the modeling of the fatigue behavior, the damage is separated into pure static and pure cyclic damage and described in terms of the stiffness loss of the material using damage models for cyclic and creep damage. Both models incorporate nonlinear accumulation and interaction of damage. A cycle jumping procedure is developed, which allows for a fast and accurate calculation of the damage evolution for constant load frequencies. The damage model is applied to examine the mean stress effect for cyclic fatigue and to investigate the frequency effect and the influence of the signal form in the case of static and cyclic damage interaction. The calculated lifetimes are in very good agreement with experimental results. PMID:28809806

  16. A continuum theoretical model and finite elements simulation of bacterial flagellar filament phase transition.

    Science.gov (United States)

    Wang, Xiaoling; Meng, Shuo; Han, Jingshi

    2017-10-03

    The Bacterial flagellar filament can undergo a polymorphic phase transition in response to both mechanical and chemical variations in vitro and in vivo environments. Under mechanical stimuli, such as viscous flow or forces induced by motor rotation, the filament changes its phase from left-handed normal (N) to right-handed semi-coiled (SC) via phase nucleation and growth. Our detailed mechanical analysis of existing experiments shows that both torque and bending moment contribute to the filament phase transition. In this paper, we establish a non-convex and non-local continuum model based on the Ginzburg-Landau theory to describe main characteristics of the filament phase transition such as new-phase nucleation, growth, propagation and the merging of neighboring interfaces. The finite element method (FEM) is adopted to simulate the phase transition under a displacement-controlled loading condition (rotation angle and bending deflection). We show that new-phase nucleation corresponds to the maximum torque and bending moment at the stuck end of the filament. The hysteresis loop in the loading and unloading curves indicates energy dissipation. When the new phase grows and propagates, torque and bending moment remain static. We also find that there is a drop in load when the two interfaces merge, indicating a concomitant reduction in the interfacial energy. Finally, the interface thickness is governed by the coefficients of the gradient of order parameters in the non-local interface energy. Our continuum theory and the finite element method provide a method to study the mechanical behavior of such biomaterials. Copyright © 2017 Elsevier Ltd. All rights reserved.

  17. Electrochemical Solvent Reorganization Energies in the Framework of the Polarizable Continuum Model.

    Science.gov (United States)

    Ghosh, Soumya; Horvath, Samantha; Soudackov, Alexander V; Hammes-Schiffer, Sharon

    2014-05-13

    Electron transfer reactions at electrochemical interfaces play a critical role in a wide range of catalytic processes. A key parameter in the rate constant expressions for such processes is the reorganization energy, which reflects the energetic cost of the solute and solvent rearrangements upon electron transfer. In this paper, we present dielectric continuum methods for calculating the solvent reorganization energy for electrochemical processes. We develop a method for calculating the electrochemical solvent reorganization energies with molecular-shaped cavities within the framework of the polarizable continuum model (PCM). The electronic and inertial responses of the solvent are separated according to their respective time scales, and two limiting cases of the relation between the solute and solvent electrons are examined. The effects of the electrode are included with the integral equations formalism PCM (IEF-PCM), in which the molecule-solvent boundary is treated explicitly, but the effects of the electrode-solvent boundary are included through an external Green's function. This approach accounts for the effects of detailed molecular charge redistribution in a molecular-shaped cavity, as well as the electronic and inertial solvent responses and the effects of the electrode. The calculated total reorganization energies are in reasonable agreement with experimental measurements for a series of electrochemical systems. Inclusion of the effects of the electrode is found to be essential for obtaining even qualitatively accurate solvent reorganization energies. These approaches are applicable to a wide range of systems and can be extended to include other types of boundaries, such as a self-assembled monolayer or double layer separating the electrode and the molecule.

  18. Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation.

    Science.gov (United States)

    Di Remigio, Roberto; Beerepoot, Maarten T P; Cornaton, Yann; Ringholm, Magnus; Steindal, Arnfinn Hykkerud; Ruud, Kenneth; Frediani, Luca

    2016-12-21

    The study of high-order absorption properties of molecules is a field of growing importance. Quantum-chemical studies can help design chromophores with desirable characteristics. Given that most experiments are performed in solution, it is important to devise a cost-effective strategy to include solvation effects in quantum-chemical studies of these properties. We here present an open-ended formulation of self-consistent field (SCF) response theory for a molecular solute coupled to a polarizable continuum model (PCM) description of the solvent. Our formulation relies on the open-ended, density matrix-based quasienergy formulation of SCF response theory of Thorvaldsen, et al., [J. Chem. Phys., 2008, 129, 214108] and the variational formulation of the PCM, as presented by Lipparini et al., [J. Chem. Phys., 2010, 133, 014106]. Within the PCM approach to solvation, the mutual solute-solvent polarization is represented by means of an apparent surface charge (ASC) spread over the molecular cavity defining the solute-solvent boundary. In the variational formulation, the ASC is an independent, variational degree of freedom. This allows us to formulate response theory for molecular solutes in the fixed-cavity approximation up to arbitrary order and with arbitrary perturbation operators. For electric dipole perturbations, pole and residue analyses of the response functions naturally lead to the identification of excitation energies and transition moments. We document the implementation of this approach in the Dalton program package using a recently developed open-ended response code and the PCMSolver libraries and present results for one-, two-, three-, four- and five-photon absorption processes of three small molecules in solution.

  19. A simplified model of polar cap electric fields

    International Nuclear Information System (INIS)

    D'Angelo, N.

    1977-01-01

    A simple-minded 'model' is used in order to visualize the gross features of polar cap electric fields, in particular the 'diode' effect which had emerged already from earlier observations and the asymmetry between the electric fields observed on the dawn and dusk sides of the polar cap, which depends on Bsub(y)

  20. M DWARF FLARE CONTINUUM VARIATIONS ON ONE-SECOND TIMESCALES: CALIBRATING AND MODELING OF ULTRACAM FLARE COLOR INDICES

    Energy Technology Data Exchange (ETDEWEB)

    Kowalski, Adam F. [Department of Astronomy, University of Maryland, College Park, MD 20742 (United States); Mathioudakis, Mihalis [Astrophysics Research Centre, School of Mathematics and Physics, Queen’s University Belfast, Belfast, BT7 1NN (United Kingdom); Hawley, Suzanne L.; Hilton, Eric J. [Department of Astronomy, University of Washington, Box 351580, Seattle, WA 98195 (United States); Wisniewski, John P. [HL Dodge Department of Physics and Astronomy, University of Oklahoma, 440 W Brooks Street, Norman, OK 73019 (United States); Dhillon, Vik S. [Department of Physics and Astronomy, University of Sheffield, Sheffield S3 7RH (United Kingdom); Marsh, Tom R. [Department of Physics, Gibbet Hill Road, University of Warwick, Coventry CV4 7AL (United Kingdom); Brown, Benjamin P., E-mail: adam.f.kowalski@nasa.gov [Laboratory for Atmospheric and Space Physics and Department of Astrophysical and Planetary Sciences, University of Colorado, Boulder, Colorado 80309 (United States)

    2016-04-01

    We present a large data set of high-cadence dMe flare light curves obtained with custom continuum filters on the triple-beam, high-speed camera system ULTRACAM. The measurements provide constraints for models of the near-ultraviolet (NUV) and optical continuum spectral evolution on timescales of ≈1 s. We provide a robust interpretation of the flare emission in the ULTRACAM filters using simultaneously obtained low-resolution spectra during two moderate-sized flares in the dM4.5e star YZ CMi. By avoiding the spectral complexity within the broadband Johnson filters, the ULTRACAM filters are shown to characterize bona fide continuum emission in the NUV, blue, and red wavelength regimes. The NUV/blue flux ratio in flares is equivalent to a Balmer jump ratio, and the blue/red flux ratio provides an estimate for the color temperature of the optical continuum emission. We present a new “color–color” relationship for these continuum flux ratios at the peaks of the flares. Using the RADYN and RH codes, we interpret the ULTRACAM filter emission using the dominant emission processes from a radiative-hydrodynamic flare model with a high nonthermal electron beam flux, which explains a hot, T ≈ 10{sup 4} K, color temperature at blue-to-red optical wavelengths and a small Balmer jump ratio as observed in moderate-sized and large flares alike. We also discuss the high time resolution, high signal-to-noise continuum color variations observed in YZ CMi during a giant flare, which increased the NUV flux from this star by over a factor of 100.

  1. Radiative capture reaction {sup 7}Be(p,{gamma}){sup 8}B in the continuum shell model

    Energy Technology Data Exchange (ETDEWEB)

    Bennaceur, K.; Ploszajczak, M. [Grand Accelerateur National d`Ions Lourds (GANIL), Caen (France); Nowacki, F. [Grand Accelerateur National d`Ions Lourds (GANIL), Caen (France)]|[Lab. de Physique Theorique Strasbourg, Strasbourg (France); Okolowicz, J. [Grand Accelerateur National d`Ions Lourds (GANIL), Caen (France)]|[Inst. of Nuclear Physics, Krakow (Poland)

    1998-06-01

    We present here the first application of realistic shell model (SM) including coupling between many-particle (quasi-)bound states and the continuum of one-particle scattering states to the calculation of the total capture cross section and the astrophysical factor in the reaction {sup 7}Be(p,{gamma}){sup 8}B. (orig.)

  2. Biomedical implications from a morphoelastic continuum model for the simulation of contracture formation in skin grafts that cover excised burns

    NARCIS (Netherlands)

    Koppenol, D.C.; Vermolen, F.J.

    2017-01-01

    A continuum hypothesis-based model is developed for the simulation of the (long term) contraction of skin grafts that cover excised burns in order to obtain suggestions regarding the ideal length of splinting therapy and when to start with this therapy such that the therapy is effective

  3. A Micro-Mechanically Based Continuum Model for Strain-Induced Crystallization in Natural Rubber

    Science.gov (United States)

    Mistry, Sunny Jigger

    Recent experimental results show that strain-induced crystallization can substantially improve the crack growth resistance of natural rubber. While this might suggest superior designs of tires or other industrial applications where elastomers are used, a more thorough understanding of the underlying physics of strain-induced crystallization in natural rubber has to be developed before any design process can be started. The objective of this work is to develop a computationally-accessible micro-mechanically based continuum model, which is able to predict the macroscopic behavior of strain crystallizing natural rubber. While several researchers have developed micro-mechanical models of partially crystallized polymer chains, their results mainly give qualitative agreement with experimental data due to a lack of good micro-macro transition theories or the lack of computational power. However, recent developments in multiscale modeling in polymers provide new tools to continue this early work. In this thesis, a new model is proposed to model strain-induced crystallization in natural rubber. To this end, a micro-mechanical model of a constrained partially crystallized polymer chain with an extended-chain crystal is derived and connected to the macroscopic level using the non-affine micro-sphere model. On the macroscopic level, a thermodynamically consistent framework for strain-crystallizing materials is developed, and a description of the crystallization kinetics is introduced. For that matter, an evolution law for crystallization based on the gradient of the macroscopic Helmholtz free energy function (chemical potential) in combination with a simple threshold function is used. A numerical implementation of the model is proposed and its predictive performance assessed using published data.

  4. STELLAR-MASS BLACK HOLE SPIN CONSTRAINTS FROM DISK REFLECTION AND CONTINUUM MODELING

    International Nuclear Information System (INIS)

    Miller, J. M.; Reynolds, C. S.; Fabian, A. C.; Miniutti, G.; Gallo, L. C.

    2009-01-01

    Accretion disk reflection spectra, including broad iron emission lines, bear the imprints of the strong Doppler shifts and gravitational redshifts close to black holes. The extremity of these shifts depends on the proximity of the innermost stable circular orbit to the black hole, and that orbit is determined by the black hole spin parameter. Modeling relativistic spectral features, then, gives a means of estimating black hole spin. We report on the results of fits made to archival X-ray spectra of stellar-mass black holes and black hole candidates, selected for strong disk reflection features. Following recent work, these spectra were fit with reflection models and disk continuum emission models (where required) in which black hole spin is a free parameter. Although our results must be regarded as preliminary, we find evidence for a broad range of black hole spin parameters in our sample. The black holes with the most relativistic radio jets are found to have high spin parameters, though jets are observed in a black hole with a low spin parameter. For those sources with constrained binary system parameters, we examine the distribution of spin parameters versus black hole mass, binary mass ratio, and orbital period. We discuss the results within the context of black hole creation events, relativistic jet production, and efforts to probe the innermost relativistic regime around black holes.

  5. THMC Modeling of EGS Reservoirs -- Continuum through Discontinuum Representations. Capturing Reservoir Stimulation, Evolution and Induced Seismicity

    Energy Technology Data Exchange (ETDEWEB)

    Elsworth, Derek [Pennsylvania State Univ., State College, PA (United States); Izadi, Ghazal [Pennsylvania State Univ., State College, PA (United States); Gan, Quan [Pennsylvania State Univ., State College, PA (United States); Fang, Yi [Pennsylvania State Univ., State College, PA (United States); Taron, Josh [US Geological Survey, Menlo Park, CA (United States); Sonnenthal, Eric [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2015-07-28

    This work has investigated the roles of effective stress induced by changes in fluid pressure, temperature and chemistry in contributing to the evolution of permeability and induced seismicity in geothermal reservoirs. This work has developed continuum models [1] to represent the progress or seismicity during both stimulation [2] and production [3]. These methods have been used to resolve anomalous observations of induced seismicity at the Newberry Volcano demonstration project [4] through the application of modeling and experimentation. Later work then focuses on the occurrence of late stage seismicity induced by thermal stresses [5] including the codifying of the timing and severity of such responses [6]. Furthermore, mechanistic linkages between observed seismicity and the evolution of permeability have been developed using data from the Newberry project [7] and benchmarked against field injection experiments. Finally, discontinuum models [8] incorporating the roles of discrete fracture networks have been applied to represent stimulation and then thermal recovery for new arrangements of geothermal wells incorporating the development of flow manifolds [9] in order to increase thermal output and longevity in EGS systems.

  6. A multiphasic continuum mechanical model for design investigations of an effusion-cooled rocket thrust chamber

    Energy Technology Data Exchange (ETDEWEB)

    Ghadiani, S.R.

    2005-07-01

    In this thesis, the new concept of the German Aerospace Center (DLR) for an effusion-cooled ceramic rocket combustion chamber is investigated. Using effusion cooling, the porous inner liner of the chamber is cooled by passing the coolant through its pores. The theoretical treatment of the fluid-saturated deformable porous construction under non-isothermal conditions leads to a coupled solid fluid model which is formulated in this thesis within the framework of the Theory of Porous Media (TPM). The multiphasic continuum mechanical model created allows for the definition of mechanical loads, thermal loads as well as a fluid mass flow across the boundary. All necessary constitutive equations are physically expedient conclusions resulting from the evaluation of the determining entropy inequality. The FE-tool PANDAS from the Institute of Mechanics (civil engineering) at University of Stuttgart is used as numerical solver. The numerical simulations discussed in this work are restricted to the qualitative demonstration of the most important physical effects occurring in the construction under study. For a real design study, material parameters have to be determined by experiments which are not the subject of this thesis. Corresponding experiments are being performed in ongoing activities at the DLR. The model presented in this work has to be understood as a general tool for the design investigation of actively cooled porous constructions. (orig.)

  7. Continuum modeling of twinning, amorphization, and fracture: theory and numerical simulations

    Science.gov (United States)

    Clayton, J. D.; Knap, J.

    2017-12-01

    A continuum mechanical theory is used to model physical mechanisms of twinning, solid-solid phase transformations, and failure by cavitation and shear fracture. Such a sequence of mechanisms has been observed in atomic simulations and/or experiments on the ceramic boron carbide. In the present modeling approach, geometric quantities such as the metric tensor and connection coefficients can depend on one or more director vectors, also called internal state vectors. After development of the general nonlinear theory, a first problem class considers simple shear deformation of a single crystal of this material. For homogeneous fields or stress-free states, algebraic systems or ordinary differential equations are obtained that can be solved by numerical iteration. Results are in general agreement with atomic simulation, without introduction of fitted parameters. The second class of problems addresses the more complex mechanics of heterogeneous deformation and stress states involved in deformation and failure of polycrystals. Finite element calculations, in which individual grains in a three-dimensional polycrystal are fully resolved, invoke a partially linearized version of the theory. Results provide new insight into effects of crystal morphology, activity or inactivity of different inelasticity mechanisms, and imposed deformation histories on strength and failure of the aggregate under compression and shear. The importance of incorporation of inelastic shear deformation in realistic models of amorphization of boron carbide is noted, as is a greater reduction in overall strength of polycrystals containing one or a few dominant flaws rather than many diffusely distributed microcracks.

  8. Conformational analysis of glutamic acid: a density functional approach using implicit continuum solvent model.

    Science.gov (United States)

    Turan, Başak; Selçuki, Cenk

    2014-09-01

    Amino acids are constituents of proteins and enzymes which take part almost in all metabolic reactions. Glutamic acid, with an ability to form a negatively charged side chain, plays a major role in intra and intermolecular interactions of proteins, peptides, and enzymes. An exhaustive conformational analysis has been performed for all eight possible forms at B3LYP/cc-pVTZ level. All possible neutral, zwitterionic, protonated, and deprotonated forms of glutamic acid structures have been investigated in solution by using polarizable continuum model mimicking water as the solvent. Nine families based on the dihedral angles have been classified for eight glutamic acid forms. The electrostatic effects included in the solvent model usually stabilize the charged forms more. However, the stability of the zwitterionic form has been underestimated due to the lack of hydrogen bonding between the solute and solvent; therefore, it is observed that compact neutral glutamic acid structures are more stable in solution than they are in vacuum. Our calculations have shown that among all eight possible forms, some are not stable in solution and are immediately converted to other more stable forms. Comparison of isoelectronic glutamic acid forms indicated that one of the structures among possible zwitterionic and anionic forms may dominate over the other possible forms. Additional investigations using explicit solvent models are necessary to determine the stability of charged forms of glutamic acid in solution as our results clearly indicate that hydrogen bonding and its type have a major role in the structure and energy of conformers.

  9. Continuum modeling of twinning, amorphization, and fracture: theory and numerical simulations

    Science.gov (United States)

    Clayton, J. D.; Knap, J.

    2018-03-01

    A continuum mechanical theory is used to model physical mechanisms of twinning, solid-solid phase transformations, and failure by cavitation and shear fracture. Such a sequence of mechanisms has been observed in atomic simulations and/or experiments on the ceramic boron carbide. In the present modeling approach, geometric quantities such as the metric tensor and connection coefficients can depend on one or more director vectors, also called internal state vectors. After development of the general nonlinear theory, a first problem class considers simple shear deformation of a single crystal of this material. For homogeneous fields or stress-free states, algebraic systems or ordinary differential equations are obtained that can be solved by numerical iteration. Results are in general agreement with atomic simulation, without introduction of fitted parameters. The second class of problems addresses the more complex mechanics of heterogeneous deformation and stress states involved in deformation and failure of polycrystals. Finite element calculations, in which individual grains in a three-dimensional polycrystal are fully resolved, invoke a partially linearized version of the theory. Results provide new insight into effects of crystal morphology, activity or inactivity of different inelasticity mechanisms, and imposed deformation histories on strength and failure of the aggregate under compression and shear. The importance of incorporation of inelastic shear deformation in realistic models of amorphization of boron carbide is noted, as is a greater reduction in overall strength of polycrystals containing one or a few dominant flaws rather than many diffusely distributed microcracks.

  10. KdV-Burgers equation in a new continuum model based on full velocity difference model considering anticipation effect

    Science.gov (United States)

    Cheng, Rongjun; Ge, Hongxia; Wang, Jufeng

    2017-09-01

    In this paper, a new continuum model based on full velocity difference car following model is developed with the consideration of driver's anticipation effect. By applying the linear stability theory, the new model's linear stability is obtained. Through nonlinear analysis, the KdV-Burgers equation is derived to describe the propagating behavior of traffic density wave near the neutral stability line. Numerical simulation shows that the new model possesses the local cluster, and it is capable of explaining some particular traffic phenomena Numerical results show that when considering the effects of anticipation, the traffic jams can be suppressed efficiently. The key improvement of this new model is that the anticipation effect can improve the stability of traffic flow.

  11. Examination of the use of continuum versus discontinuum models for design and performance assessment for the Yucca Mountain site

    International Nuclear Information System (INIS)

    Board, M.

    1989-08-01

    This report examines the use of continuum and discontinuum numerical methods for analysis of the thermomechanical response of the rock mass at Yucca Mountain. Continuum numerical methods consider the rock to be a solid, unfractured body, whereas the discontinuum method is formulated specifically to account for the effects of discrete fractures. The fractures within the rock introduce overall non-linear material response due to slip and separation of rock blocks. Continuum models attempt to simulate this response through the use of non-linear constitutive laws. Discontinuum methods attempt to simulate the true response of the rock mass by correctly modeling the behavior of the joints as well as the deformability of the intact rock blocks. It is shown that, as the joint spacing, s, becomes small with respect to the size of the excavations, the behavior of the jointed rock approaches that of a solid with a form of elasto-plastic constitutive behavior. It is concluded that a continuum model with a form of ''ubiquitous'' or ''compliant joint'' plasticity law is probably sufficient for analysis of the thermomechanical response of excavations in welded tuff. However, one of the questions concerning Yucca Mountain which remains is the effect of fault structures on the stability performance of the repository, particularly under thermal and dynamic loads. Here, a true discontinuum approach seems necessary. 45 refs., 42 figs., 4 tabs

  12. Assessment model validity document - HYDRASTAR. A stochastic continuum program for groundwater flow

    Energy Technology Data Exchange (ETDEWEB)

    Gylling, B. [Kemakta Konsult AB, Stockholm (Sweden); Eriksson, Lars [Equa Simulation AB, Sundbyberg (Sweden)

    2001-12-01

    The prevailing document addresses validation of the stochastic continuum model HYDRASTAR designed for Monte Carlo simulations of groundwater flow in fractured rocks. Here, validation is defined as a process to demonstrate that a model concept is fit for its purpose. Preferably, the validation is carried out by comparison of model predictions with independent field observations and experimental measurements. In addition, other sources can also be used to confirm that the model concept gives acceptable results. One method is to compare results with the ones achieved using other model concepts for the same set of input data. Another method is to compare model results with analytical solutions. The model concept HYDRASTAR has been used in several studies including performance assessments of hypothetical repositories for spent nuclear fuel. In the performance assessments, the main tasks for HYDRASTAR have been to calculate groundwater travel time distributions, repository flux distributions, path lines and their exit locations. The results have then been used by other model concepts to calculate the near field release and far field transport. The aim and framework for the validation process includes describing the applicability of the model concept for its purpose in order to build confidence in the concept. Preferably, this is made by comparisons of simulation results with the corresponding field experiments or field measurements. Here, two comparisons with experimental results are reported. In both cases the agreement was reasonably fair. In the broader and more general context of the validation process, HYDRASTAR results have been compared with other models and analytical solutions. Commonly, the approximation calculations agree well with the medians of model ensemble results. Additional indications that HYDRASTAR is suitable for its purpose were obtained from the comparisons with results from other model concepts. Several verification studies have been made for

  13. Structural equation modeling of the proximal–distal continuum of adherence drivers

    Directory of Open Access Journals (Sweden)

    McHorney CA

    2012-11-01

    Full Text Available Colleen A McHorney,1 Ning Jackie Zhang,2 Timothy Stump,3 Xiaoquan Zhao41US Outcomes Research, Merck, North Wales, PA, 2University of Central Florida, Orlando, 3Indiana University School of Medicine, Indianapolis, 4George Mason University, Fairfax, USAObjectives: Nonadherence to prescription medications has been shown to be significantly influenced by three key medication-specific beliefs: patients' perceived need for the prescribed medication, their concerns about the prescribed medication, and perceived medication affordability. Structural equation modeling was used to test the predictors of these three proximal determinants of medication adherence using the proximal–distal continuum of adherence drivers as the organizing conceptual framework.Methods: In Spring 2008, survey participants were selected from the Harris Interactive Chronic Illness Panel, an internet-based panel of hundreds of thousands of adults with chronic disease. Respondents were eligible for the survey if they were aged 40 years and older, resided in the US, and reported having at least one of six chronic diseases: asthma, diabetes, hyperlipidemia, hypertension, osteoporosis, or other cardiovascular disease. A final sample size of 1072 was achieved. The proximal medication beliefs were measured by three multi-item scales: perceived need for medications, perceived medication concerns, and perceived medication affordability. The intermediate sociomedical beliefs and skills included four multi-item scales: perceived disease severity, knowledge about the prescribed medication, perceived immunity to side effects, and perceived value of nutraceuticals. Generic health beliefs and skills consisted of patient engagement in their care, health information-seeking tendencies, internal health locus of control, a single-item measure of self-rated health, and general mental health. Structural equation modeling was used to model proximal–distal continuum of adherence drivers.Results: The

  14. An advanced continuum medium model for treating solvation effects: Nonlocal electrostatics with a cavity

    Science.gov (United States)

    Basilevsky, M. V.; Parsons, D. F.

    1996-09-01

    The Born-Kirkwood-Onsager (BKO) model of solvation, where a solute molecule is positioned inside a cavity cut into a solvent, which is considered as a dielectric continuum, is studied within the bounds of nonlocal electrostatics. The nonlocal cavity model is explicitly formulated and the corresponding nonlocal Poisson equation is reduced to an integral equation describing the behavior of the charge density induced in the medium. It is found that the presence of a cavity does not create singularities in the total electrostatic potential and its normal derivatives. Such singularities appear only in the local limit and are completely dissipated by nonlocal effects. The Born case of a spherical cavity with a point charge at its centre is investigated in detail. The corresponding one-dimensional integral Poisson equation is solved numerically and values for the solvation energy are determined. Several tests of this approach are presented: (a) We show that our integral equation reduces in the local limit to the chief equation of the local BKO theory. (b) We provide certain approximations which enable us to obtain the solution corresponding to the preceding nonlocal treatment of Dogonadze and Kornyshev (DK). (c) We make a comparison with the results of molecular solvation theory (mean spherical approximation), as applied to the calculation of solvation energies of spherical ions.

  15. Nonlinear continuum mechanical model for investigating plasmonic oscillations phenomena in nanostructured metals

    Science.gov (United States)

    Serebrennikov, Aleksey M.

    2014-09-01

    Here, we introduce a nonlinear continuum mechanical theoretical model of dissipative plasmonic oscillations relying on the principle of least action. The proposed theory has allowed obtaining the expression of a stress tensor for an “electron gas-ionic frame” system. In parallel, an initial boundary value problem for nonlinear integrodifferential equations constituting the model has been formulated. On the basis of a finite-difference approach the iterative solution method, algorithm and solver have been worked out. Thereby we have investigated the phenomena of harmonic multiples generation by a cluster of metal nanoparticles. Also by using these tools the estimate of the density function parameter satisfying the requirement of regular oscillations has been obtained numerically. On the ground of extensive numerical runs it was found that for a given set of parameters the system response turned out to be mainly linear, however the contributions of the closest odd harmonic multiples (third and fifth) were well resolved under quantitative analysis. This result allows the nonlinearity governable by the principal equation of motion to be associated with Kerr's type nonlinearity.

  16. Towards an integrated primary and secondary HIV prevention continuum for the United States: a cyclical process model.

    Science.gov (United States)

    Horn, Tim; Sherwood, Jennifer; Remien, Robert H; Nash, Denis; Auerbach, Judith D

    2016-01-01

    Every new HIV infection is preventable and every HIV-related death is avoidable. As many jurisdictions around the world endeavour to end HIV as an epidemic, missed HIV prevention and treatment opportunities must be regarded as public health emergencies, and efforts to quickly fill gaps in service provision for all people living with and vulnerable to HIV infection must be prioritized. We present a novel, comprehensive, primary and secondary HIV prevention continuum model for the United States as a conceptual framework to identify key steps in reducing HIV incidence and improving health outcomes among those vulnerable to, as well as those living with, HIV infection. We further discuss potential approaches to address gaps in data required for programme planning, implementation and evaluation across the elements of the HIV prevention continuum. Our model conceptualizes opportunities to monitor and quantify primary HIV prevention efforts and, importantly, illustrates the interplay between an outcomes-oriented primary HIV prevention process and the HIV care continuum to move aggressively forward in reaching ambitious reductions in HIV incidence. To optimize the utility of this outcomes-oriented HIV prevention continuum, a key gap to be addressed includes the creation and increased coordination of data relevant to HIV prevention across sectors.

  17. Infrared polar brightenings on Jupiter. V - A thermal equilibrium model for the north polar hot spot

    Science.gov (United States)

    Halthore, Rangasayi; Burrows, Adam; Caldwell, John

    1988-01-01

    Voyager IRIS instrument records of the IR hydrocarbon emissions from Jupiter's north polar region are presently studied to determine the spatial and other characteristics of the north polar hot spot. Attention is given to a thermal equilibrium model that exploits the asymmetry found in 7.8-micron emission of stratospheric methane with respect to system III longitude in order to estimate stratospheric zonal wind velocity. This model accurately predicts the observed asymmetry in acetylene's 13.6-micron emission; this requires, however, enhanced acetylene abundance in the hot spot, as well as ethane depletion. Energetic charged particles are suggested to be the most probable cause of these effects.

  18. A hybrid discrete-continuum mathematical model of pattern prediction in the developing retinal vasculature.

    Science.gov (United States)

    McDougall, S R; Watson, M G; Devlin, A H; Mitchell, C A; Chaplain, M A J

    2012-10-01

    Pathological angiogenesis has been extensively explored by the mathematical modelling community over the past few decades, specifically in the contexts of tumour-induced vascularisation and wound healing. However, there have been relatively few attempts to model angiogenesis associated with normal development, despite the availability of animal models with experimentally accessible and highly ordered vascular topologies: for example, growth and development of the vascular plexus layers in the murine retina. The current study aims to address this issue through the development of a hybrid discrete-continuum mathematical model of the developing retinal vasculature in neonatal mice that is closely coupled with an ongoing experimental programme. The model of the functional vasculature is informed by a range of morphological and molecular data obtained over a period of several days, from 6 days prior to birth to approximately 8 days after birth. The spatio-temporal formation of the superficial retinal vascular plexus (RVP) in wild-type mice occurs in a well-defined sequence. Prior to birth, astrocytes migrate from the optic nerve over the surface of the inner retina in response to a chemotactic gradient of PDGF-A, formed at an earlier stage by migrating retinal ganglion cells (RGCs). Astrocytes express a variety of chemotactic and haptotactic proteins, including VEGF and fibronectin (respectively), which subsequently induce endothelial cell sprouting and modulate growth of the RVP. The developing RVP is not an inert structure; however, the vascular bed adapts and remodels in response to a wide variety of metabolic and biomolecular stimuli. The main focus of this investigation is to understand how these interacting cellular, molecular, and metabolic cues regulate RVP growth and formation. In an earlier one-dimensional continuum model of astrocyte and endothelial migration, we showed that the measured frontal velocities of the two cell types could be accurately reproduced

  19. Derivation of Maxwell's Equations Based on a Continuum Mechanical Model of Vacuum and a Singularity Model of Electric Charges

    Directory of Open Access Journals (Sweden)

    Wang X.-S.

    2008-04-01

    Full Text Available The main purpose of this paper is to seek a mechanical interpretation of electromagnetic phenomena. We suppose that vacuum is filled with a kind of continuously distributed material which may be called Omega(1 substratum. Further, we speculate that the Omega(1 substratum might behave like a fluid with respect to translational motion of large bod- ies through it, but would still posses elasticity to produce small transverse vibrations. Thus, we propose a visco-elastic constitutive relation of the Omega(1 substratum. Further- more, we speculate that electric charges are emitting or absorbing the Omega(1 substratum continuously and establish a fluidic source and sink model of electric charges. Thus, Maxwell’s equations in vacuum are derived by methods of continuum mechanics based on this mechanical model of vacuum and the singularity model of electric charges.

  20. Derivation of Maxwell's Equations Based on a Continuum Mechanical Model of Vacuum and a Singularity Model of Electric Charges

    Directory of Open Access Journals (Sweden)

    Xiao-Song Wang

    2008-04-01

    Full Text Available The main purpose of this paper is to seek a mechanical interpretation of electromagnetic phenomena. We suppose that vacuumis filled with a kind of continuously distributed material which may be called $Omega (1$ substratum. Further, we speculate that the $Omega (1$ substratum might behave like a fluid with respect to translational motion of large bodies through it, but would still posses elasticity to produce small transverse vibrations. Thus, we propose a visco-elastic constitutive relation of the $Omega (1$ substratum. Furthermore, we speculate that electric charges are emitting or absorbing the $Omega (1$ substratum continuously and establish a fluidic source and sink model of electric charges. Thus,Maxwell's equations in vacuum are derived by methods of continuum mechanics based on this mechanical model of vacuum and the singularity model of electric charges.

  1. Continuum modeling of {10Ῑ2} twinning in a Mg-3%Al-1%Zn rolled sheet

    Directory of Open Access Journals (Sweden)

    Pérez-Prado, M. T.

    2010-12-01

    Full Text Available Acrystal plasticity continuum model with differentiated self- and cross- hardeningmechanisms for twin and slip systems has been utilized to predict the slip/twin activities and texture evolution in a rolled and annealed Mg-3%Al-1%Zn sheet compressed along the rolling direction (RD and tensile tested along the normal direction (ND. The contribution of twinning is significantly larger during tension along ND, leading to a significant texture change with strain. A good correlation is found between simulations and recent experimental results.

    Un modelo continuo de plasticidad cristalina, que contempla los mecanismos de auto-endurecimiento y endurecimiento cruzado para los sistemas de maclado y deslizamiento, se ha utilizado para predecir las actividades de deslizamiento y del maclado, así como la evolución de la textura, de una chapa laminada y recocida de la aleación de magnesio Mg-3%Al-1%Zn ensayada en compresión, a lo largo de la dirección de laminación (DL y en tensión, a lo largo de la dirección normal (DN. Se encontró que la contribución del maclado es mucho más importante cuando la muestra se tensiona a lo lago de DN, lo que da lugar a un cambio fuerte de textura. Se observó una buena correspondencia entre las simulaciones y resultados experimentales recientes.

  2. A finite deformation continuum modelling framework for curvature effects in fibre-reinforced nanocomposites

    Science.gov (United States)

    Asmanoglo, Tobias; Menzel, Andreas

    2017-10-01

    Motivated by experimental findings on one-dimensional nano-materials, this contribution focusses on the elaboration of a fibre curvature based higher-order gradient contribution to the stored energy function in a finite deformation setting. The presented approach is based on the fundamental theoretical developments for fibre-reinforced composites presented by Spencer and Soldatos (2007), which take into account the fibre-bending stiffness in addition to the directional dependency induced by the fibres. A mixed-type finite element formulation is then used for the solution of the resulting system of coupled partial differential equations. A specific form of the stored energy function is introduced such that well-interpretable contributions to the stress- and the couple stress tensor are obtained. It is shown that this framework may, in principle, account for fibres of different diameters and induces a natural length scale into the model. Such continuum theory covering size-effects is of special interest since experiments for different materials suggest significant size-effects at small length scales.

  3. Beta Regression Finite Mixture Models of Polarization and Priming

    Science.gov (United States)

    Smithson, Michael; Merkle, Edgar C.; Verkuilen, Jay

    2011-01-01

    This paper describes the application of finite-mixture general linear models based on the beta distribution to modeling response styles, polarization, anchoring, and priming effects in probability judgments. These models, in turn, enhance our capacity for explicitly testing models and theories regarding the aforementioned phenomena. The mixture…

  4. Induced seismicity in a salt mine environment evaluated by a coupled continuum-discrete modelling.

    Science.gov (United States)

    Mercerat, E.; Souley, M.; Driad, L.; Bernard, P.

    2005-12-01

    Within the framework of a research project launched to assess the feasibility of seismic monitoring of underground growing cavities, this specific work focus on two main complementary axis: the validation of seismic monitoring techniques in salt mine environments, and the numerical modelling of deformation and failure mechanisms with their associated acoustic emissions, the induced microseismicity. The underground cavity under monitoring is located at Cerville (Lorraine, France) within a salt layer 180 m deep and it presents a rather regular cylindrical shape of 100 m diameter. Typically, the overburden is characterized by the presence of two competent layers with elasto-brittle behaviour and located 50 m above the salt layer. When the salt exploitation restarts, the cavity will progressively grow causing irreversible damage of the upper layers until its final collapse at a time scale of the order of one year. Numerical modelling of such a complex process requires a large scale model which takes into account both the growing cavity within the salt layer and the mechanical behaviour of the overburden where high deformation and fracturing is expected. To keep the elasto-brittle behaviour of the competent layers where most seismic damage is expected, we use the PFC code (Itasca Cons). To approach the other layers (mainly composed of marls and salt) which present more ductile and/or viscoplastic behaviour, a continuum approach based on the FLAC code (Itasca Cons) is employed. Numerous calibration process were needed to estimate the microproperties used in PFC to reproduce the macroscopic behaviour from laboratory tests performed on samples extracted from the competent layers. As long as the size of the PFC inclusion representing the brittle material is much higher than the core sample sizes, the scale effect of microproperties is examined. The next stage is to perform calculations on the basis of previous macroscopic and microproperties calibration results, and compare

  5. The life cycles of Be viscous decretion discs: time-dependent modelling of infrared continuum observations

    Science.gov (United States)

    Vieira, R. G.; Carciofi, A. C.; Bjorkman, J. E.; Rivinius, Th.; Baade, D.; Rímulo, L. R.

    2017-01-01

    We apply the viscous decretion disc (VDD) model to interpret the infrared disc continuum emission of 80 Be stars observed in different epochs. In this way, we determined 169 specific disc structures, namely their density scale, ρ0, and exponent, n. We found that the n values range mainly between 1.5 and 3.5, and ρ0 varies between 10-12 and 10-10 g cm-3, with a peak close to the lower value. Our large sample also allowed us to firmly establish that the discs around early-type stars are denser than in late-type stars. Additionally, we estimated the disc mass decretion rates and found that they range between 10-12 and 10-9 M⊙ yr-1. These values are compatible with recent stellar evolution models of fast-rotating stars. One of the main findings of this work is a correlation between the ρ0 and n values. In order to find out whether these relations can be traced back to the evolution of discs or have some other origin, we used the VDD model to calculate temporal sequences under different assumptions for the time profile of the disc mass injection. The results support the hypothesis that the observed distribution of disc properties is due to a common evolutionary path. In particular, our results suggest that the time-scale for disc growth, during which the disc is being actively fed by mass injection episodes, is shorter than the time-scale for disc dissipation, when the disc is no longer fed by the star and dissipates as a result of the viscous diffusion of the disc material.

  6. Continuum mechanics

    CERN Document Server

    Spencer, A J M

    2004-01-01

    The mechanics of fluids and the mechanics of solids represent the two major areas of physics and applied mathematics that meet in continuum mechanics, a field that forms the foundation of civil and mechanical engineering. This unified approach to the teaching of fluid and solid mechanics focuses on the general mechanical principles that apply to all materials. Students who have familiarized themselves with the basic principles can go on to specialize in any of the different branches of continuum mechanics. This text opens with introductory chapters on matrix algebra, vectors and Cartesian ten

  7. Combined binary collision and continuum mechanics model applied to focused ion beam milling of a silicon membrane

    International Nuclear Information System (INIS)

    Hobler, Gerhard

    2015-01-01

    Many experiments indicate the importance of stress and stress relaxation upon ion implantation. In this paper, a model is proposed that is capable of describing ballistic effects as well as stress relaxation by viscous flow. It combines atomistic binary collision simulation with continuum mechanics. The only parameters that enter the continuum model are the bulk modulus and the radiation-induced viscosity. The shear modulus can also be considered but shows only minor effects. A boundary-fitted grid is proposed that is usable both during the binary collision simulation and for the spatial discretization of the force balance equations. As an application, the milling of a slit into an amorphous silicon membrane with a 30 keV focused Ga beam is studied, which demonstrates the relevance of the new model compared to a more heuristic approach used in previous work

  8. A second gradient continuum model accounting for some effects of micro-structure on reconstructed bone remodelling

    Science.gov (United States)

    Madeo, Angela; George, D.; Lekszycki, T.; Nierenberger, Mathieu; Rémond, Yves

    2012-08-01

    We propose a second gradient, two-solids, continuum mixture model with variable masses to describe the effect of micro-structure on mechanically-driven remodelling of bones grafted with bio-resorbable materials. A one-dimensional numerical simulation is addressed showing the potentialities of the proposed generalized continuum model. In particular, we show that the used second gradient model allows for the description of some micro-structure-related size effects which are known to be important in hierarchically heterogeneous materials like reconstructed bones. Moreover, the influence of the introduced second gradient parameters on the final percentages of replacement of artificial bio-material with natural bone tissue is presented and discussed.

  9. A study on the single continuum modeling of radionuclide migration in fractured porous media

    International Nuclear Information System (INIS)

    Jeong, Jong Tae

    1992-02-01

    Solute transport in fractured porous media is described by the single continuum model, i.e., equivalent porous medium(EPM) model. For this purpose, one-dimensional solute transport in the fracture and two-dimensional solute transport in the porous rock matrix is considered. The network of fractures embedded in the porous rock matrix is idealized as two orthogonally intersecting families of equally spaced, parallel fractures directed at 45 .deg. to the regional groundwater flow direction. Physical processes considered are advection, hydrodynamic dispersion, molecular diffusion, sorption onto the fracture surfaces, sorption in the rock matrix, and radioactive decay. Governing equations are solved by the finite element method, and upstream weighting technique is used in order to prevent the oscillation of solution in case of highly advection dominated transport. The domain is discretized into a network of triangular and quadrilateral elements by intersecting a number of mesh lines between each pair of fractures. The one-dimensional fracture elements are superimposed onto the boundaries of the porous rock matrix, and equal concentrations are applied as a boundary condition between fractures and porous rock matrix. Validity of the numerical scheme is established by comparison with an analytic solution for the three cases independently, i.e., one- and two-dimensional problems in the porous rock matrix and one-dimensional transport problem in the fracture. An overall numerical scheme is verified by comparison with the analytic solution of one-dimensional solute transport in ordinary porous media. In all cases the numerical scheme is found to be capable of producing reliable results, and more accurate solutions can be obtained by reducing both the mesh size and time step in the case of highly obtained by reducing both the mesh size and time step in the case of highly advection dominated problems. The breakthrough curves are obtained as a function of time according to

  10. Continuum Nanofluidics

    DEFF Research Database (Denmark)

    Hansen, Jesper S; Dyre, Jeppe C; Daivis, Peter

    2015-01-01

    This paper introduces the fundamental continuum theory governing momentum transport in isotropic nanofluidic systems. The theory is an extension of the classical Navier-Stokes equation, and includes coupling between translational and rotational degrees of freedom as well as nonlocal response...

  11. A bimodal temom model for particle Brownian coagulation in the continuum-slip regime

    Directory of Open Access Journals (Sweden)

    He Qing

    2016-01-01

    Full Text Available In this paper, a bimodal Taylor-series expansion moment of method is proposed to deal with Brownian coagulation in the continuum-slip regime, where the non-linear terms in the Cunningham correction factor is approximated by Taylor-series expansion technology. The results show that both the number concentration and volume fraction decrease with time in the smaller mode due to the intra and inter coagulation, and the asymptotic behavior of the larger mode is as same as that in the continuum regime.

  12. Quantum mechanical/molecular mechanical/continuum style solvation model: Second order Møller-Plesset perturbation theory

    International Nuclear Information System (INIS)

    Thellamurege, Nandun M.; Si, Dejun; Cui, Fengchao; Li, Hui

    2014-01-01

    A combined quantum mechanical/molecular mechanical/continuum (QM/MM/C) style second order Møller-Plesset perturbation theory (MP2) method that incorporates induced dipole polarizable force field and induced surface charge continuum solvation model is established. The Z-vector method is modified to include induced dipoles and induced surface charges to determine the MP2 response density matrix, which can be used to evaluate MP2 properties. In particular, analytic nuclear gradient is derived and implemented for this method. Using the Assisted Model Building with Energy Refinement induced dipole polarizable protein force field, the QM/MM/C style MP2 method is used to study the hydrogen bonding distances and strengths of the photoactive yellow protein chromopore in the wild type and the Glu46Gln mutant

  13. Demonstration of a sustainable community-based model of care across the palliative care continuum.

    Science.gov (United States)

    Bull, Janet H; Whitten, Elizabeth; Morris, John; Hooper, Richelle Nugent; Wheeler, Jane L; Kamal, Arif; Abernethy, Amy P

    2012-12-01

    In the U.S., the number of hospital-based palliative care programs has increased rapidly, but availability of outpatient palliative care remains limited. Multiple barriers impede the financial viability of these programs. Four Seasons, a nonprofit organization in western North Carolina, delivers a full spectrum of palliative care in hospitals, nursing homes, assisted living facilities, patients' homes, and outpatient clinics; its catchment area encompasses approximately 350,000 people. Initially focused on hospice care, Four Seasons added its palliative care program in 2003. Before the inquiry described herein, financial losses from outpatient palliative care (2003-2008) were escalating. We explored organizational and financial barriers to sustainability of palliative care, so as to 1) identify reasons for financial losses; 2) devise and implement solutions; and 3) develop a sustainable model for palliative care delivery across settings, including the outpatient setting. In 2008, Four Seasons's palliative care program served 305 patients per day (average) with 10.5 providers (physicians, nurse practitioners, and physician assistants); financial losses approached $400,000 per year. We used Quality Assessment and Performance Improvement cycles to identify challenges to and inefficiencies in service provision, developed targeted strategies for overcoming identified barriers to cost-efficiency, instituted these measures, and tracked results. In 2011, Four Seasons served 620 palliative care patients per day (average) with 14 providers; financial losses decreased by 40%. With health care reform promoting integration of care across settings, outpatient palliative care will gain importance in the health care continuum. Process changes can help reduce financial losses that currently impede outpatient palliative care programs. Copyright © 2012 U.S. Cancer Pain Relief Committee. Published by Elsevier Inc. All rights reserved.

  14. Observations that polar climate modelers use and want

    Science.gov (United States)

    Kay, J. E.; de Boer, G.; Hunke, E. C.; Bailey, D. A.; Schneider, D. P.

    2012-12-01

    Observations are essential for motivating and establishing improvement in the representation of polar processes within climate models. We believe that explicitly documenting the current methods used to develop and evaluate climate models with observations will help inform and improve collaborations between the observational and climate modeling communities. As such, we will present the current strategy of the Polar Climate Working Group (PCWG) to evaluate polar processes within Community Earth System Model (CESM) using observations. Our presentation will focus primarily on PCWG evaluation of atmospheric, sea ice, and surface oceanic processes. In the future, we hope to expand to include land surface, deep ocean, and biogeochemical observations. We hope our presentation, and a related working document developed by the PCWG (https://docs.google.com/document/d/1zt0xParsFeMYhlihfxVJhS3D5nEcKb8A41JH0G1Ic-E/edit) inspires new and useful interactions that lead to improved climate model representation of polar processes relevant to polar climate.

  15. M Dwarf Flare Continuum Variations on One-second Timescales: Calibrating and Modeling of ULTRACAM Flare Color Indices

    Science.gov (United States)

    Kowalski, Adam F.; Mathioudakis, Mihalis; Hawley, Suzanne L.; Wisniewski, John P.; Dhillon, Vik S.; Marsh, Tom R.; Hilton, Eric J.; Brown, Benjamin P.

    2016-04-01

    We present a large data set of high-cadence dMe flare light curves obtained with custom continuum filters on the triple-beam, high-speed camera system ULTRACAM. The measurements provide constraints for models of the near-ultraviolet (NUV) and optical continuum spectral evolution on timescales of ≈1 s. We provide a robust interpretation of the flare emission in the ULTRACAM filters using simultaneously obtained low-resolution spectra during two moderate-sized flares in the dM4.5e star YZ CMi. By avoiding the spectral complexity within the broadband Johnson filters, the ULTRACAM filters are shown to characterize bona fide continuum emission in the NUV, blue, and red wavelength regimes. The NUV/blue flux ratio in flares is equivalent to a Balmer jump ratio, and the blue/red flux ratio provides an estimate for the color temperature of the optical continuum emission. We present a new “color-color” relationship for these continuum flux ratios at the peaks of the flares. Using the RADYN and RH codes, we interpret the ULTRACAM filter emission using the dominant emission processes from a radiative-hydrodynamic flare model with a high nonthermal electron beam flux, which explains a hot, T ≈ 104 K, color temperature at blue-to-red optical wavelengths and a small Balmer jump ratio as observed in moderate-sized and large flares alike. We also discuss the high time resolution, high signal-to-noise continuum color variations observed in YZ CMi during a giant flare, which increased the NUV flux from this star by over a factor of 100. Based on observations obtained with the Apache Point Observatory 3.5 m telescope, which is owned and operated by the Astrophysical Research Consortium, based on observations made with the William Herschel Telescope operated on the island of La Palma by the Isaac Newton Group in the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofsica de Canarias, and observations, and based on observations made with the ESO Telescopes

  16. Continuum Navier-Stokes modelling of water flow past fullerene molecules

    DEFF Research Database (Denmark)

    Walther, J. H.; Popadic, A.; Koumoutsakos, P.

    We present continuum simulations of water flow past fullerene molecules. The governing Navier-Stokes equations are complemented with the Navier slip boundary condition with a slip length that is extracted from related molecular dynamics simulations. We find that several quantities of interest...

  17. Continuum Navier-Stokes modelling of water ow past fullerene molecules

    DEFF Research Database (Denmark)

    Walther, J. H.; Popadic, A.; Koumoutsakos, P.

    We present continuum simulations of water flow past fullerene molecules. The governing Navier-Stokes equations are complemented with the Navier slip boundary condition with a slip length that is extracted from related molecular dynamics simulations. We find that several quantities of interest...

  18. A model of quasi-free scattering with polarized protons

    International Nuclear Information System (INIS)

    Teodoro, M.R.

    1976-01-01

    A quantitative evaluation, based on a simple model for spin-free coplanar and asymmetric reaction in 16 O, for 215 MeV incoming polarized protons confirms the use of the strong effective polarization of the knocked-out proton by the spin-orbit coupling and of the strong dependence of free, medium energy, proton-proton cross section on the relative orientation of the proton spins. Effective polarizations, momentum distributions and correlation cross sections have been calculated for the 1p sub(1/2), 1 p sub(3/2) and 1s sub(1/2) states in 16 O, using protons totally polarized orthogonal to the scattering plane. Harmonic oscillator and square wells have been used to generate the bound state wave functions, whereas the optical potentials have been taken spin-independent and purely imaginary [pt

  19. Modeling of nonlinear responses for reciprocal transducers involving polarization switching

    DEFF Research Database (Denmark)

    Willatzen, Morten; Wang, Linxiang

    2007-01-01

    Nonlinearities and hysteresis effects in a reciprocal PZT transducer are examined by use of a dynamical mathematical model on the basis of phase-transition theory. In particular, we consider the perovskite piezoelectric ceramic in which the polarization process in the material can be modeled...... by Landau theory for the first-order phase transformation, in which each polarization state is associated with a minimum of the Landau free-energy function. Nonlinear constitutive laws are obtained by using thermodynamical equilibrium conditions, and hysteretic behavior of the material can be modeled...

  20. Coupling of a continuum ice sheet model and a discrete element calving model using a scientific workflow system

    Science.gov (United States)

    Memon, Shahbaz; Vallot, Dorothée; Zwinger, Thomas; Neukirchen, Helmut

    2017-04-01

    Scientific communities generate complex simulations through orchestration of semi-structured analysis pipelines which involves execution of large workflows on multiple, distributed and heterogeneous computing and data resources. Modeling ice dynamics of glaciers requires workflows consisting of many non-trivial, computationally expensive processing tasks which are coupled to each other. From this domain, we present an e-Science use case, a workflow, which requires the execution of a continuum ice flow model and a discrete element based calving model in an iterative manner. Apart from the execution, this workflow also contains data format conversion tasks that support the execution of ice flow and calving by means of transition through sequential, nested and iterative steps. Thus, the management and monitoring of all the processing tasks including data management and transfer of the workflow model becomes more complex. From the implementation perspective, this workflow model was initially developed on a set of scripts using static data input and output references. In the course of application usage when more scripts or modifications introduced as per user requirements, the debugging and validation of results were more cumbersome to achieve. To address these problems, we identified a need to have a high-level scientific workflow tool through which all the above mentioned processes can be achieved in an efficient and usable manner. We decided to make use of the e-Science middleware UNICORE (Uniform Interface to Computing Resources) that allows seamless and automated access to different heterogenous and distributed resources which is supported by a scientific workflow engine. Based on this, we developed a high-level scientific workflow model for coupling of massively parallel High-Performance Computing (HPC) jobs: a continuum ice sheet model (Elmer/Ice) and a discrete element calving and crevassing model (HiDEM). In our talk we present how the use of a high

  1. Continuum model of non-equilibrium solvation and solvent effect on ultra-fast processes

    International Nuclear Information System (INIS)

    Li Xiangyuan; Fu Kexiang; Zhu Quan

    2006-01-01

    In the past 50 years, non-equilibrium solvation theory for ultra-fast processes such as electron transfer and light absorption/emission has attracted particular interest. A great deal of research efforts was made in this area and various models which give reasonable qualitative descriptions for such as solvent reorganization energy in electron transfer and spectral shift in solution, were developed within the framework of continuous medium theory. In a series of publications by the authors, we clarified that the expression of the non-equilibrium electrostatic free energy that is at the dominant position of non-equilibrium solvation and serves as the basis of various models, however, was incorrectly formulated. In this work, the authors argue that reversible charging work integration was inappropriately applied in the past to an irreversible path linking the equilibrium or the non-equilibrium state. Because the step from the equilibrium state to the nonequilibrium state is factually thermodynamically irreversible, the conventional expression for non-equilibrium free energy that was deduced in different ways is unreasonable. Here the authors derive the non-equilibrium free energy to a quite different form according to Jackson integral formula. Such a difference throws doubts to the models including the famous Marcus two-sphere model for solvent reorganization energy of electron transfer and the Lippert-Mataga equation for spectral shift. By introducing the concept of 'spring energy' arising from medium polarizations, the energy constitution of the non-equilibrium state is highlighted. For a solute-solvent system, the authors separate the total electrostatic energy into different components: the self-energies of solute charge and polarized charge, the interaction energy between them and the 'spring energy' of the solvent polarization. With detailed reasoning and derivation, our formula for non-equilibrium free energy can be reached through different ways. Based on the

  2. Shell model with several particles in the continuum: application to the two-proton decay; Modele en couches avec plusieurs particules dans le continuum: description de la radioactivite deux protons

    Energy Technology Data Exchange (ETDEWEB)

    Rotureau, J

    2005-02-15

    The recent experimental results concerning nuclei at the limit of stability close to the drip-lines and in particular the two-proton emitters require a development of new methodologies to reliably calculate and understand properties of those exotic physical systems. In this work we have extended the Shell Model Embedded in the Continuum (SMEC) in order to describe the coupling with two particles in the scattering continuum. We have obtained a microscopic description of the two-proton emission that takes into account the antisymmetrization of the total wavefunction, the configuration mixing and the three-body asymptotics. We have studied the decay of the 1{sub 2}{sup -} state in {sup 18}Ne in two limiting cases: (i) a sequential emission of two protons through the correlated continuum of {sup 17}F and (ii) emission of {sup 2}He cluster that disintegrates because of the final state interaction (diproton emission). Independently of the choice of the effective interaction we have observed that the two-proton emission of the 1{sub 2}{sup -} in {sup 18}Ne is mainly a sequential process; the ratio between the widths of the diproton emission and the sequential decay does not exceed 8% in any case. (author)

  3. Continuum model of tensile fracture of metal melts and its application to a problem of high-current electron irradiation of metals

    International Nuclear Information System (INIS)

    Mayer, Alexander E.; Mayer, Polina N.

    2015-01-01

    A continuum model of the metal melt fracture is formulated on the basis of the continuum mechanics and theory of metastable liquid. A character of temperature and strain rate dependences of the tensile strength that is predicted by the continuum model is verified, and parameters of the model are fitted with the use of the results of the molecular dynamics simulations for ultra-high strain rates (≥1–10/ns). A comparison with experimental data from literature is also presented for Al and Ni melts. Using the continuum model, the dynamic tensile strength of initially uniform melts of Al, Cu, Ni, Fe, Ti, and Pb within a wide range of strain rates (from 1–10/ms to 100/ns) and temperatures (from melting temperature up to 70–80% of critical temperature) is calculated. The model is applied to numerical investigation of a problem of the high-current electron irradiation of Al, Cu, and Fe targets

  4. X-Parameter Based Modelling of Polar Modulated Power Amplifiers

    DEFF Research Database (Denmark)

    Wang, Yelin; Nielsen, Troels Studsgaard; Sira, Daniel

    2013-01-01

    X-parameters are developed as an extension of S-parameters capable of modelling non-linear devices driven by large signals. They are suitable for devices having only radio frequency (RF) and DC ports. In a polar power amplifier (PA), phase and envelope of the input modulated signal are applied...... at separate ports and the envelope port is neither an RF nor a DC port. As a result, X-parameters may fail to characterise the effect of the envelope port excitation and consequently the polar PA. This study introduces a solution to the problem for a commercial polar PA. In this solution, the RF-phase path...... PA for simulations. The simulated error vector magnitude (EVM) and adjacent channel power ratio (ACPR) were compared with the measured data to validate the model. The maximum differences between the simulated and measured EVM and ACPR are less than 2% point and 3 dB, respectively....

  5. The spectral energy distribution of powerful starburst galaxies - I. Modelling the radio continuum

    Science.gov (United States)

    Galvin, T. J.; Seymour, N.; Marvil, J.; Filipović, M. D.; Tothill, N. F. H.; McDermid, R. M.; Hurley-Walker, N.; Hancock, P. J.; Callingham, J. R.; Cook, R. H.; Norris, R. P.; Bell, M. E.; Dwarakanath, K. S.; For, B.; Gaensler, B. M.; Hindson, L.; Johnston-Hollitt, M.; Kapińska, A. D.; Lenc, E.; McKinley, B.; Morgan, J.; Offringa, A. R.; Procopio, P.; Staveley-Smith, L.; Wayth, R. B.; Wu, C.; Zheng, Q.

    2018-02-01

    We have acquired radio-continuum data between 70 MHz and 48 GHz for a sample of 19 southern starburst galaxies at moderate redshifts (0.067 < z < 0.227) with the aim of separating synchrotron and free-free emission components. Using a Bayesian framework, we find the radio continuum is rarely characterized well by a single power law, instead often exhibiting low-frequency turnovers below 500 MHz, steepening at mid to high frequencies, and a flattening at high frequencies where free-free emission begins to dominate over the synchrotron emission. These higher order curvature components may be attributed to free-free absorption across multiple regions of star formation with varying optical depths. The decomposed synchrotron and free-free emission components in our sample of galaxies form strong correlations with the total-infrared bolometric luminosities. Finally, we find that without accounting for free-free absorption with turnovers between 90 and 500 MHz the radio continuum at low frequency (ν < 200 MHz) could be overestimated by upwards of a factor of 12 if a simple power-law extrapolation is used from higher frequencies. The mean synchrotron spectral index of our sample is constrained to be α = -1.06, which is steeper than the canonical value of -0.8 for normal galaxies. We suggest this may be caused by an intrinsically steeper cosmic ray distribution.

  6. Vibrationally-Fluidized Granular Flows: Impact and Bulk Velocity Measurements Compared with Discrete Element and Continuum Models

    Science.gov (United States)

    Hashemnia, Kamyar

    A new laser displacement probe was developed to measure the impact velocities of particles within vibrationally-fluidized beds. The sensor output was also used to measure bulk flow velocity along the probe window and to provide a measure of the media packing. The displacement signals from the laser sensors were analyzed to obtain the probability distribution functions of the impact velocity of the particles. The impact velocity was affected by the orientation of the laser probe relative to the bulk flow velocity, and the density and elastic properties of the granular media. The impact velocities of the particles were largely independent of their bulk flow speed and packing density. Both the local impact and bulk flow velocities within a tub vibratory finisher were predicted using discrete element modelling (DEM) and compared to the measured values for spherical steel media. It was observed that the impact and bulk flow velocities were relatively insensitive to uncertainties in the contact coefficients of friction and restitution. It was concluded that the predicted impact and bulk flow velocities were dependent on the number of layers in the model. Consequently, the final DE model mimicked the key aspects of the experimental setup, including the submerged laser sensor. The DE method predictions of both impact velocity and bulk flow velocity were in reasonable agreement with the experimental measurements, with maximum differences of 20% and 30%, respectively. Discrete element modeling of granular flows is effective, but requires large numerical models. In an effort to reduce computational effort, this work presents a finite element (FE) continuum model of a vibrationally-fluidized granular flow. The constitutive equations governing the continuum model were calibrated using the discrete element method (DEM). The bulk flow behavior of the equivalent continuum media was then studied using both Lagrangian and Eulerian FE formulations. The bulk flow velocities predicted

  7. Numerical modelling of electrochemical polarization around charged metallic particles

    Science.gov (United States)

    Bücker, Matthias; Undorf, Sabine; Flores Orozco, Adrián; Kemna, Andreas

    2017-04-01

    We extend an existing analytical model and carry out numerical simulations to study the polarization process around charged metallic particles immersed in an electrolyte solution. Electro-migration and diffusion processes in the electrolyte are described by the Poisson-Nernst-Planck system of partial differential equations. To model the surface charge density, we consider a time- and frequency-invariant electric potential at the particle surface, which leads to the build-up of a static electrical double layer (EDL). Upon excitation by an external electric field at low frequencies, we observe the superposition of two polarization processes. On the one hand, the induced dipole moment on the metallic particle leads to the accumulation of opposite charges in the electrolyte. This charge polarization corresponds to the long-known response of uncharged metallic particles. On the other hand, the unequal cation and anion concentrations in the EDL give rise to a salinity gradient between the two opposite sides of the metallic particle. The resulting concentration polarization enhances the magnitude of the overall polarization response. Furthermore, we use our numerical model to study the effect of relevant model parameters such as surface charge density and ionic strength of the electrolyte on the resulting spectra of the effective conductivity of the composite model system. Our results do not only give interesting new insight into the time-harmonic variation of electric potential and ion concentrations around charged metallic particle. They are also able to reduce incongruities between earlier model predictions and geophysical field and laboratory measurements. Our model thereby improves the general understanding of IP signatures of metallic particles and represents the next step towards a quantitative interpretation of IP imaging results. Part of this research is funded by the Austrian Federal Ministry of Science, Research and Economy under the Raw Materials Initiative.

  8. Continuum-Based FEM Modeling of Ceramic Powder Compaction Using a Cap-Plasticity Constitutive Model

    Energy Technology Data Exchange (ETDEWEB)

    ARGUELLO JR.,JOSE G.; FOSSUM,ARLO F.; ZEUCH,DAVID H.; EWSUK,KEVIN G.

    2000-05-01

    Software has been developed and extended to allow finite element (FE) modeling of ceramic powder compaction using a cap-plasticity constitutive model. The underlying, general-purpose FE software can be used to model even the most complex three-dimensional (3D) geometries envisioned. Additionally, specialized software has been developed within this framework to address a general subclass of axisymmetric compacts that are common in industry. The expertise required to build the input deck, run the FE code, and post-process the results for this subclass of compacts is embedded within the specialized software. The user simply responds to a series of prompts, evaluates the quality of the FE mesh that is generated, and analyzes the graphical results that are produced. The specialized software allows users with little or no FE expertise to benefit from the tremendous power and insight that FE analysis can bring to the design cycle. The more general underlying software provides complete flexibility to model more complicated geometries and processes of interest to ceramic component manufacturers but requires significantly more user interaction and expertise.

  9. Quantum Chemistry for Solvated Molecules on Graphical Processing Units Using Polarizable Continuum Models.

    Science.gov (United States)

    Liu, Fang; Luehr, Nathan; Kulik, Heather J; Martínez, Todd J

    2015-07-14

    The conductor-like polarization model (C-PCM) with switching/Gaussian smooth discretization is a widely used implicit solvation model in chemical simulations. However, its application in quantum mechanical calculations of large-scale biomolecular systems can be limited by computational expense of both the gas phase electronic structure and the solvation interaction. We have previously used graphical processing units (GPUs) to accelerate the first of these steps. Here, we extend the use of GPUs to accelerate electronic structure calculations including C-PCM solvation. Implementation on the GPU leads to significant acceleration of the generation of the required integrals for C-PCM. We further propose two strategies to improve the solution of the required linear equations: a dynamic convergence threshold and a randomized block-Jacobi preconditioner. These strategies are not specific to GPUs and are expected to be beneficial for both CPU and GPU implementations. We benchmark the performance of the new implementation using over 20 small proteins in solvent environment. Using a single GPU, our method evaluates the C-PCM related integrals and their derivatives more than 10× faster than that with a conventional CPU-based implementation. Our improvements to the linear solver provide a further 3× acceleration. The overall calculations including C-PCM solvation require, typically, 20-40% more effort than that for their gas phase counterparts for a moderate basis set and molecule surface discretization level. The relative cost of the C-PCM solvation correction decreases as the basis sets and/or cavity radii increase. Therefore, description of solvation with this model should be routine. We also discuss applications to the study of the conformational landscape of an amyloid fibril.

  10. Improved continuum lowering calculations in screened hydrogenic model with l-splitting for high energy density systems

    Science.gov (United States)

    Ali, Amjad; Shabbir Naz, G.; Saleem Shahzad, M.; Kouser, R.; Aman-ur-Rehman; Nasim, M. H.

    2018-03-01

    The energy states of the bound electrons in high energy density systems (HEDS) are significantly affected due to the electric field of the neighboring ions. Due to this effect bound electrons require less energy to get themselves free and move into the continuum. This phenomenon of reduction in potential is termed as ionization potential depression (IPD) or the continuum lowering (CL). The foremost parameter to depict this change is the average charge state, therefore accurate modeling for CL is imperative in modeling atomic data for computation of radiative and thermodynamic properties of HEDS. In this paper, we present an improved model of CL in the screened hydrogenic model with l-splitting (SHML) proposed by G. Faussurier and C. Blancard, P. Renaudin [High Energy Density Physics 4 (2008) 114] and its effect on average charge state. We propose the level charge dependent calculation of CL potential energy and inclusion of exchange and correlation energy in SHML. By doing this, we made our model more relevant to HEDS and free from CL empirical parameter to the plasma environment. We have implemented both original and modified model of SHML in our code named OPASH and benchmark our results with experiments and other state-of-the-art simulation codes. We compared our results of average charge state for Carbon, Beryllium, Aluminum, Iron and Germanium against published literature and found a very reasonable agreement between them.

  11. CONTINUUM INTENSITY AND [O i] SPECTRAL LINE PROFILES IN SOLAR 3D PHOTOSPHERIC MODELS: THE EFFECT OF MAGNETIC FIELDS

    Energy Technology Data Exchange (ETDEWEB)

    Fabbian, D.; Moreno-Insertis, F., E-mail: damian@iac.es, E-mail: fmi@iac.es [Instituto de Astrofísica de Canarias (IAC), E-38205 La Laguna, Tenerife (Spain)

    2015-04-01

    The importance of magnetic fields in three-dimensional (3D) magnetoconvection models of the Sun’s photosphere is investigated in terms of their influence on the continuum intensity at different viewing inclination angles and on the intensity profile of two [O i] spectral lines. We use the RH numerical radiative transfer code to perform a posteriori spectral synthesis on the same time series of magnetoconvection models used in our publications on the effect of magnetic fields on abundance determination. We obtain a good match of the synthetic disk-center continuum intensity to the absolute continuum values from the Fourier Transform Spectrometer (FTS) observational spectrum; the match of the center-to-limb variation synthetic data to observations is also good, thanks, in part, to the 3D radiation transfer capabilities of the RH code. The different levels of magnetic flux in the numerical time series do not modify the quality of the match. Concerning the targeted [O i] spectral lines, we find, instead, that magnetic fields lead to nonnegligible changes in the synthetic spectrum, with larger average magnetic flux causing both of the lines to become noticeably weaker. The photospheric oxygen abundance that one would derive if instead using nonmagnetic numerical models would thus be lower by a few to several centidex. The inclusion of magnetic fields is confirmed to be important for improving the current modeling of the Sun, here in particular in terms of spectral line formation and of deriving consistent chemical abundances. These results may shed further light on the still controversial issue regarding the precise value of the solar oxygen abundance.

  12. Radio-continuum study of the supernova remnants in the large Magellanic Cloud: An SNR with a highly polarized breakout region: SNR J0455-6838

    Directory of Open Access Journals (Sweden)

    Crawford E.J.

    2008-01-01

    Full Text Available We present the results of new moderate resolution ATCA observations of SNR J0455-6838. We found that this SNR exhibits a mostly typical appearance with rather steep and curved α=-0.81±0.18 and D=43×31±1 pc. Regions of high polarization were detected, including unusually strong (~70% region corresponding to the northern breakout. Such a strong polarization in breakout regions has not been observed in any other SNR.

  13. Description of the Charge Transfer States at the Pentacene/C60 Interface: Combining Range-Separated Hybrid Functionals with the Polarizable Continuum Model

    KAUST Repository

    Zheng, Zilong

    2016-06-24

    Density functional theory (DFT) approaches based on range-separated hybrid functionals are currently methods of choice for the description of the charge-transfer (CT) states in organic donor/acceptor solar cells. However, these calculations are usually performed on small-size donor/acceptor complexes and as result do not account for electronic polarization effects. Here, using a pentacene/C60 complex as a model system, we discuss the ability of long-range corrected (LCR) hybrid functionals in combination with the polarizable continuum model (PCM) to determine the impact of the solid-state environment on the CT states. The CT energies are found to be insensitive to the interactions with the dielectric medium when a conventional time-dependent DFT/PCM (TDDFT/PCM) approach is used. However, a decrease in the energy of the CT state in the framework of LRC functionals can be obtained by using a smaller range-separated parameter when going from an isolated donor/acceptor complex to the solid-state case.

  14. Modeling Gravitational Waves to Test GR Dispersion and Polarization

    Science.gov (United States)

    Tso, Rhondale; Chen, Yanbei; Isi, Maximilliano

    2017-01-01

    Given continued observation runs from the Laser Interferometer Gravitational-Wave Observatory Scientific Collaboration, further gravitational wave (GW) events will provide added constraints on beyond-general relativity (b-GR) theories. One approach, independent of the GW generation mechanism at the source, is to look at modification to the GW dispersion and propagation, which can accumulate over vast distances. Generic modification of GW propagation can also, in certain b-GR theories, impact the polarization content of GWs. To this end, a comprehensive approach to testing the dispersion and polarization content is developed by modeling anisotropic deformations to the waveforms' phase, along with birefringence effects and corollary consequences for b-GR polarizations, i.e., breathing, vector, and longitudinal modes. Such an approach can be mapped to specific theories like Lorentz violation, amplitude birefringence in Chern-Simons, and provide hints at additional theories to be included. An overview of data analysis routines to be implemented will also be discussed.

  15. Modeling radio circular polarization in the Crab nebula

    Science.gov (United States)

    Bucciantini, N.; Olmi, B.

    2018-03-01

    In this paper, we present, for the first time, simulated maps of the circularly polarized synchrotron emission from the Crab nebula, using multidimensional state of the art models for the magnetic field geometry. Synchrotron emission is the signature of non-thermal emitting particles, typical of many high-energy astrophysical sources, both Galactic and extragalactic ones. Its spectral and polarization properties allow us to infer key information on the particles distribution function and magnetic field geometry. In recent years, our understanding of pulsar wind nebulae has improved substantially thanks to a combination of observations and numerical models. A robust detection or non-detection of circular polarization will enable us to discriminate between an electron-proton plasma and a pair plasma, clarifying once for all the origin of the radio emitting particles, setting strong constraints on the pair production in pulsar magnetosphere, and the role of turbulence in the nebula. Previous attempts at measuring the circular polarization have only provided upper limits, but the lack of accurate estimates, based on reliable models, makes their interpretation ambiguous. We show here that those results are above the expected values, and that current polarimetric techniques are not robust enough for conclusive result, suggesting that improvements in construction and calibration of next generation radio facilities are necessary to achieve the desired sensitivity.

  16. Vibration of quadrilateral embedded multilayered graphene sheets based on nonlocal continuum models using the Galerkin method

    Science.gov (United States)

    Babaei, H.; Shahidi, A. R.

    2011-12-01

    Free vibration analysis of quadrilateral multilayered graphene sheets (MLGS) embedded in polymer matrix is carried out employing nonlocal continuum mechanics. The principle of virtual work is employed to derive the equations of motion. The Galerkin method in conjunction with the natural coordinates of the nanoplate is used as a basis for the analysis. The dependence of small scale effect on thickness, elastic modulus, polymer matrix stiffness and interaction coefficient between two adjacent sheets is illustrated. The non-dimensional natural frequencies of skew, rhombic, trapezoidal and rectangular MLGS are obtained with various geometrical parameters and mode numbers taken into account, and for each case the effects of the small length scale are investigated.

  17. Nonlocal continuum-based modeling of breathing mode of nanowires including surface stress and surface inertia effects

    International Nuclear Information System (INIS)

    Ghavanloo, Esmaeal; Fazelzadeh, S. Ahmad; Rafii-Tabar, Hashem

    2014-01-01

    Nonlocal and surface effects significantly influence the mechanical response of nanomaterials and nanostructures. In this work, the breathing mode of a circular nanowire is studied on the basis of the nonlocal continuum model. Both the surface elastic properties and surface inertia effect are included. Nanowires can be modeled as long cylindrical solid objects. The classical model is reformulated using the nonlocal differential constitutive relations of Eringen and Gurtin–Murdoch surface continuum elasticity formalism. A new frequency equation for the breathing mode of nanowires, including small scale effect, surface stress and surface inertia is presented by employing the Bessel functions. Numerical results are computed, and are compared to confirm the validity and accuracy of the proposed method. Furthermore, the model is used to elucidate the effect of nonlocal parameter, the surface stress, the surface inertia and the nanowire orientation on the breathing mode of several types of nanowires with size ranging from 0.5 to 4 nm. Our results reveal that the combined surface and small scale effects are significant for nanowires with diameter smaller than 4 nm.

  18. Nonlocal continuum-based modeling of breathing mode of nanowires including surface stress and surface inertia effects

    Science.gov (United States)

    Ghavanloo, Esmaeal; Fazelzadeh, S. Ahmad; Rafii-Tabar, Hashem

    2014-05-01

    Nonlocal and surface effects significantly influence the mechanical response of nanomaterials and nanostructures. In this work, the breathing mode of a circular nanowire is studied on the basis of the nonlocal continuum model. Both the surface elastic properties and surface inertia effect are included. Nanowires can be modeled as long cylindrical solid objects. The classical model is reformulated using the nonlocal differential constitutive relations of Eringen and Gurtin-Murdoch surface continuum elasticity formalism. A new frequency equation for the breathing mode of nanowires, including small scale effect, surface stress and surface inertia is presented by employing the Bessel functions. Numerical results are computed, and are compared to confirm the validity and accuracy of the proposed method. Furthermore, the model is used to elucidate the effect of nonlocal parameter, the surface stress, the surface inertia and the nanowire orientation on the breathing mode of several types of nanowires with size ranging from 0.5 to 4 nm. Our results reveal that the combined surface and small scale effects are significant for nanowires with diameter smaller than 4 nm.

  19. The application of the continuum of care model in the re-configuration of nutrition and dietetics services.

    Science.gov (United States)

    Patch, C; Milosavljevic, M

    1999-09-01

    The continuum of health care model can be used to improve service delivery. Within a hospital setting, finite resources are available. Service gaps must be identified, priorities established and resources re-distributed to meet these gaps. Using Continuous Quality Improvement (CQI) tools, barriers to change were identified and a plan for improvement was formulated. Areas receiving disproportionate resources were identified and a more even resource allocation adopted. In an illustration of the success of strategic change, core services were not only maintained but also showed improved efficiency. The Department of Nutrition and Dietetics at Wollongong and Port Kembla Hospitals achieved an increase in dietetic services through a reorientation of current resources.

  20. Interstellar extinction and interstellar polarization: old and new models

    OpenAIRE

    Voshchinnikov, N. V.

    2012-01-01

    The review contains an analysis of the observed and model curves of the interstellar extinction and polarization. The observations mainly give information on dust in diffuse and translucent interstellar clouds. The features of various dust grain models including spherical/non-spherical, homogeneous/inhomogeneous particles are discussed. A special attention is devoted to the analysis of the grain size distributions, alignment mechanisms and magnetic field structure in interstellar clouds. It i...

  1. Investigations in Satellite MIMO Channel Modeling: Accent on Polarization

    Directory of Open Access Journals (Sweden)

    Karagiannidis George K

    2007-01-01

    Full Text Available Due to the much different environment in satellite and terrestrial links, possibilities in and design of MIMO systems are rather different as well. After pointing out these differences and problems arising from them, two MIMO designs are shown rather well adapted to satellite link characteristics. Cooperative diversity seems to be applicable; its concept is briefly presented without a detailed discussion, leaving solving particular satellite problems to later work. On the other hand, a detailed discussion of polarization time-coded diversity (PTC is given. A physical-statistical model for dual-polarized satellite links is presented together with measuring results validating the model. The concept of 3D polarization is presented as well as briefly describing compact 3D-polarized antennas known from the literature and applicable in satellite links. A synthetic satellite-to-indoor link is constructed and its electromagnetic behavior is simulated via the FDTD (finite-difference time-domain method. Previous result of the authors states that in 3D-PTC situations, MIMO capacity can be about two times higher than SIMO (single-input multiple-output capacity while a diversity gain of nearly is further verified via extensive FDTD computer simulation.

  2. Investigations in Satellite MIMO Channel Modeling: Accent on Polarization

    Directory of Open Access Journals (Sweden)

    Péter Horváth

    2007-05-01

    Full Text Available Due to the much different environment in satellite and terrestrial links, possibilities in and design of MIMO systems are rather different as well. After pointing out these differences and problems arising from them, two MIMO designs are shown rather well adapted to satellite link characteristics. Cooperative diversity seems to be applicable; its concept is briefly presented without a detailed discussion, leaving solving particular satellite problems to later work. On the other hand, a detailed discussion of polarization time-coded diversity (PTC is given. A physical-statistical model for dual-polarized satellite links is presented together with measuring results validating the model. The concept of 3D polarization is presented as well as briefly describing compact 3D-polarized antennas known from the literature and applicable in satellite links. A synthetic satellite-to-indoor link is constructed and its electromagnetic behavior is simulated via the FDTD (finite-difference time-domain method. Previous result of the authors states that in 3D-PTC situations, MIMO capacity can be about two times higher than SIMO (single-input multiple-output capacity while a diversity gain of nearly 2×3 is further verified via extensive FDTD computer simulation.

  3. A stochastic approximation approach to improve the convergence behavior of hierarchical atomistic-to-continuum multiscale models

    Science.gov (United States)

    Wurm, Patrick; Ulz, Manfred H.

    2016-10-01

    The aim of this work is to provide an improved information exchange in hierarchical atomistic-to-continuum settings by applying stochastic approximation methods. For this purpose a typical model belonging to this class is chosen and enhanced. On the macroscale of this particular two-scale model, the balance equations of continuum mechanics are solved using a nonlinear finite element formulation. The microscale, on which a canonical ensemble of statistical mechanics is simulated using molecular dynamics, replaces a classic material formulation. The constitutive behavior is computed on the microscale by computing time averages. However, these time averages are thermal noise-corrupted as the microscale may practically not be tracked for a sufficiently long period of time due to limited computational resources. This noise prevents the model from a classical convergence behavior and creates a setting that shows remarkable resemblance to iteration schemes known from stochastic approximation. This resemblance justifies the use of two averaging strategies known to improve the convergence behavior in stochastic approximation schemes under certain, fairly general, conditions. To demonstrate the effectiveness of the proposed strategies, three numerical examples are studied.

  4. SIS along a continuum (SIS(c)) epidemiological modelling and control of diseases on directed trade networks.

    Science.gov (United States)

    Moslonka-Lefebvre, Mathieu; Harwood, Tom; Jeger, Mike J; Pautasso, Marco

    2012-03-01

    Network theory has been applied to many aspects of biosciences, including epidemiology. Most epidemiological models in networks, however, have used the standard assumption of either susceptible or infected individuals. In some cases (e.g. the spread of Phytophthora ramorum in plant trade networks), a continuum in the infection status of nodes can better capture the reality of epidemics in networks. In this paper, a Susceptible-Infected-Susceptible model along a continuum in the infection status (SIS(c)) is presented, using as a case study directed networks and two parameters governing the epidemic process (probability of infection persistence (p(p)) and of infection transmission (p(t)). The previously empirically reported linear epidemic threshold in a plot of p(p) as a function of p(t) (Pautasso and Jeger, 2008) is derived analytically. Also the previously observed negative correlation between the epidemic threshold and the correlation between links in and out of nodes (Moslonka-Lefebvre et al., 2009) is justified analytically. A simple algorithm to calculate the threshold conditions is introduced. Additionally, a control strategy based on targeting market hierarchical categories such as producers, wholesalers and retailers is presented and applied to a realistic reconstruction of the UK horticultural trade network. Finally, various applications (e.g., seed exchange networks, food trade, spread of ideas) and potential refinements of the SIS(c) model are discussed. Copyright © 2012 Elsevier Inc. All rights reserved.

  5. Continuum Physics

    CERN Document Server

    Hertel, Peter

    2012-01-01

    This small book on the properties of continuously distributed matter covers a huge field. It sets out the governing principles of continuum physics and illustrates them by carefully chosen examples. These examples comprise structural mechanics and elasticity, fluid media, electricity and optics, thermoelectricity, fluctuation phenomena and more, from Archimedes' principle via Brownian motion to white dwarfs. Metamaterials, pattern formation by reaction-diffusion and surface plasmon polaritons are dealt with as well as classical topics such as Stokes' formula, beam bending and buckling, crystal optics and electro- and magnetooptic effects, dielectric waveguides, Ohm's law, surface acoustic waves, to mention just some.   The set of balance equations for content, flow and production of particles, mass, charge, momentum, energy and entropy is augmented by material, or constitutive equations. They describe entire classes of materials, such as viscid fluids and gases, elastic media, dielectrics or electrical con...

  6. Magnons and excitation continuum in XXZ triangular antiferromagnetic model: Application to Ba3CoSb2O9

    Science.gov (United States)

    Ghioldi, E. A.; Mezio, A.; Manuel, L. O.; Singh, R. R. P.; Oitmaa, J.; Trumper, A. E.

    2015-04-01

    We investigate the excitation spectrum of the triangular-lattice antiferromagnetic XXZ model using series expansion and mean field Schwinger boson approaches. The single-magnon spectrum computed with series expansion exhibits rotonic minima at the middle points of the edges of the Brillouin zone, for all values of the anisotropy parameter in the range 0 ≤Jz/J ≤1 . Based on the good agreement with series expansion for the single-magnon spectrum, we compute the full dynamical magnetic structure factor within the mean field Schwinger boson approach to investigate the relevance of the XXZ model for the description of the unusual spectrum found recently in Ba3CoSb2O9 . In particular, we obtain an extended continuum above the spin wave excitations, which is further enhanced and brought closer to those observed in Ba3CoSb2O9 with the addition of a second neighbor exchange interaction approximately 15 % of the nearest-neighbor value. Our results support the idea that excitation continuum with substantial spectral-weight are generically present in two-dimensional frustrated spin systems and fractionalization in terms of bosonic spinons presents an efficient way to describe them.

  7. A vegetation-focused soil-plant-atmospheric continuum model to study hydrodynamic soil-plant water relations

    Science.gov (United States)

    Deng, Zijuan; Guan, Huade; Hutson, John; Forster, Michael A.; Wang, Yunquan; Simmons, Craig T.

    2017-06-01

    A novel simple soil-plant-atmospheric continuum model that emphasizes the vegetation's role in controlling water transfer (v-SPAC) has been developed in this study. The v-SPAC model aims to incorporate both plant and soil hydrological measurements into plant water transfer modeling. The model is different from previous SPAC models in which v-SPAC uses (1) a dynamic plant resistance system in the form of a vulnerability curve that can be easily obtained from sap flow and stem xylem water potential time series and (2) a plant capacitance parameter to buffer the effects of transpiration on root water uptake. The unique representation of root resistance and capacitance allows the model to embrace SPAC hydraulic pathway from bulk soil, to soil-root interface, to root xylem, and finally to stem xylem where the xylem water potential is measured. The v-SPAC model was tested on a native tree species in Australia, Eucalyptus crenulata saplings, with controlled drought treatment. To further validate the robustness of the v-SPAC model, it was compared against a soil-focused SPAC model, LEACHM. The v-SPAC model simulation results closely matched the observed sap flow and stem water potential time series, as well as the soil moisture variation of the experiment. The v-SPAC model was found to be more accurate in predicting measured data than the LEACHM model, underscoring the importance of incorporating root resistance into SPAC models and the benefit of integrating plant measurements to constrain SPAC modeling.

  8. Atomistic and continuum scale modeling of functionalized graphyne membranes for water desalination.

    Science.gov (United States)

    Raju, Muralikrishna; Govindaraju, Pavan B; van Duin, Adri C T; Ihme, Matthias

    2018-02-22

    Recent theoretical and experimental studies reported ultra-high water permeability and salt rejection in nanoporous single-layer graphene. However, creating and controlling the size and distribution of nanometer-scale pores pose significant challenges to application of these membranes for water desalination. Graphyne and hydrogenated graphyne have tremendous potential as ultra-permeable membranes for desalination and wastewater reclamation due to their uniform pore-distribution, atomic thickness and mechano-chemical stability. Using molecular dynamics (MD) simulations and upscale continuum analysis, the desalination performance of bare and hydrogenated α-graphyne and γ-{2,3,4}-graphyne membranes is evaluated as a function of pore size, pore geometry, chemical functionalization and applied pressure. MD simulations show that pores ranging from 20 to 50 Å 2 reject in excess of 90% of the ions for pressures up to 1 GPa. Water permeability is found to range up to 85 L cm -2 day -1 MPa -1 , which is up to three orders of magnitude larger than commercial seawater reverse osmosis (RO) membranes and up to ten times that of nanoporous graphene. Pore chemistry, functionalization and geometry are shown to play a critical role in modulating the water flux, and these observations are explained by water velocity, density, and energy barriers in the pores. The atomistic scale investigations are complemented by upscale continuum analysis to examine the performance of these membranes in application to cross-flow RO systems. This upscale analysis, however, shows that the significant increase in permeability, observed from MD simulations, does not fully translate to current RO systems due to transport limitations. Nevertheless, upscale calculations predict that the higher permeability of graphyne membranes would allow up to six times higher permeate recovery or up to 6% less energy consumption as compared to thin-film composite membranes at currently accessible operating conditions

  9. Defined-Sector Explicit Solvent in Continuum Cluster Model for Computational Prediction of pKa: Consideration of Secondary Functionality and Higher Degree of Solvation.

    Science.gov (United States)

    Abramson, Rebecca A; Baldridge, Kim K

    2013-02-12

    Benchmark accuracy for prediction of first and second dissociation constants (pKa1 and pKa2 values) is realized with the recently developed Defined-Sector Explicit Solvent in Continuum Cluster Model. The model provides a systematic basis for inclusion of explicit solvation, essential for accurate prediction of dissociation constants using computational continuum model approaches. The DSES-CC model is demonstrated by considering the structure-to-chemical affinity relationship of the carboxyl functional group and is shown to provide predictability with mean absolute error of 0.5 pK units across a wide array of carboxylic acid functionality.

  10. Investigation of the removing process of cathode material in micro-EDM using an atomistic-continuum model

    International Nuclear Information System (INIS)

    Guo, Jianwen; Zhang, Guojun; Huang, Yu; Ming, Wuyi; Liu, Min; Huang, Hao

    2014-01-01

    Highlights: • An atomistic-continuum computational simulation model for single-discharge micro-EDM process of Cu cathode is constructed. • Cathode material is removed mainly in the form of single atoms or small clusters in micro-EDM. • Electric action leads to the formation of peaks on the surface of crater. • Removing process of cathode material under the hybrid action combining the thermal action and the electric action is studied, and the strength of either action needed for material to remove is much reduced. - Abstract: In micro-electrical discharge machining (micro-EDM), the discharge duration is ultra-short, and both the electric action and the thermal action by the discharge channel play important roles in the removing process of cathode material. However, in most researches on the machining mechanism of micro-EDM, only the thermal action is concerned. In this article, a combined atomistic-continuum modeling method in which the two-temperature model and the molecular dynamics simulation model are integrated is used to construct the simulation model for cathode in single-discharge micro-EDM process. With this simulation model, removing processes of Cu cathode material in micro-EDM under pure thermal action, pure electric action and the combination of them are investigated in a simulative way. By analyzing evolutions of temperature, stress and micro-structure of material as well as the dynamical behaviors of material in the removing process, mechanisms of the cathode material removal and crater formation are revealed. In addition, the removing process of cathode material under the combination of pure thermal action and pure electric action is compared with those under the two pure actions respectively to analyze the interactive effect between the thermal action and the electric action

  11. Continuum dislocation-density based models for the dynamic shock response of single-crystal and polycrystalline materials

    Science.gov (United States)

    Luscher, Darby

    2017-06-01

    The dynamic thermomechanical responses of polycrystalline materials under shock loading are often dominated by the interaction of defects and interfaces. For example, polymer-bonded explosives (PBX) can initiate under weak shock impacts whose energy, if distributed homogeneously throughout the material, translates to temperature increases that are insufficient to drive the rapid chemistry observed. In such cases, heterogeneous thermomechanical interactions at the mesoscale (i.e. between single-crystal and macroscale) lead to the formation of localized hot spots. Within metals, a prescribed deformation associated with a shock wave may be accommodated by crystallographic slip, provided a sufficient population of mobile dislocations is available. However, if the deformation rate is large enough, there may be an insufficient number of freely mobile dislocations. In these cases, additional dislocations may be nucleated, or alternate mechanisms (e.g. twinning, damage) activated in order to accommodate the deformation. Direct numerical simulation at the mesoscale offers insight into these physical processes that can be invaluable to the development of macroscale constitutive theories, if the mesoscale models adequately represent the anisotropic nonlinear thermomechanical response of individual crystals and their interfaces. This talk will briefly outline a continuum mesoscale modeling framework founded upon local and nonlocal variations of dislocation-density based crystal plasticity theory. The nonlocal theory couples continuum dislocation transport with the local theory. In the latter, dislocation transport is modeled by enforcing dislocation conservation at a slip-system level through the solution of advection-diffusion equations. The configuration of geometrically necessary dislocation density gives rise to a back-stress that inhibits or accentuates the flow of dislocations. Development of the local theory and application to modeling the explosive molecular crystal

  12. Understanding and forecasting polar stratospheric variability with statistical models

    Directory of Open Access Journals (Sweden)

    C. Blume

    2012-07-01

    Full Text Available The variability of the north-polar stratospheric vortex is a prominent aspect of the middle atmosphere. This work investigates a wide class of statistical models with respect to their ability to model geopotential and temperature anomalies, representing variability in the polar stratosphere. Four partly nonstationary, nonlinear models are assessed: linear discriminant analysis (LDA; a cluster method based on finite elements (FEM-VARX; a neural network, namely the multi-layer perceptron (MLP; and support vector regression (SVR. These methods model time series by incorporating all significant external factors simultaneously, including ENSO, QBO, the solar cycle, volcanoes, to then quantify their statistical importance. We show that variability in reanalysis data from 1980 to 2005 is successfully modeled. The period from 2005 to 2011 can be hindcasted to a certain extent, where MLP performs significantly better than the remaining models. However, variability remains that cannot be statistically hindcasted within the current framework, such as the unexpected major warming in January 2009. Finally, the statistical model with the best generalization performance is used to predict a winter 2011/12 with warm and weak vortex conditions. A vortex breakdown is predicted for late January, early February 2012.

  13. Micro-Structural Evolution and Size-Effects in Plastically Deformed Single Crystals: Strain Gradient Continuum Modeling

    DEFF Research Database (Denmark)

    El-Naaman, Salim Abdallah

    An extensive amount of research has been devoted to the development of micro-mechanics based gradient plasticity continuum theories, which are necessary for modeling micron-scale plasticity when large spatial gradients of plastic strain appear. While many models have proven successful in capturing...... the macroscopic effects related to strain gradients, most predict smooth micro-structures. The evolution of dislocation micro-structures, during plastic straining of ductile crystalline materials, is highly complex and nonuniform. Published experimental measurements on deformed metal crystals show distinct......, to focus on their ability to capture realistic micro-structural evolution. This challenge is the main focus of the present thesis, which takes as starting point a non-work conjugate type back stress based higher order crystal plasticity theory. Within this framework, several possibilities for the back...

  14. The solvent effect on the aquation processes of the cis-dichloro(ethylenediammine)platinum(II) using continuum solvation models

    Science.gov (United States)

    Costa, Luiz Antônio S.; Rocha, Willian R.; De Almeida, Wagner B.; Dos Santos, Hélio F.

    2004-03-01

    The present Letter describes a systematic analysis of the solvent effect on the hydrolysis process of an important cisplatin analogue ( cis-DEP). Self-consistent reaction field continuum models were used to include the solvent effect at the HF, DFT and MP2 levels of theory. A disagreement between the gas phase calculated ( k2=1.92×10 -11 M -1 s -1) and experimental ( k2=4.4×10 -5 M -1 s -1) rate constant for the second aquation reaction of cis-DEP was recently reported by us. The value calculated in aqueous solution at the PCM-MP2 level was 2.87 × 10 -5 M -1 s -1 in perfect accordance with experiment. Calculations using spherical cavity SCRF model require inclusion of high order multipole terms (up to octupole).

  15. DMFC anode polarization: Experimental analysis and model validation

    Science.gov (United States)

    Casalegno, A.; Marchesi, R.

    Anode two-phase flow has an important influence on DMFC performance and methanol crossover. In order to elucidate two-phase flow influence on anode performance, in this work, anode polarization is investigated combining experimental and modelling approach. A systematic experimental analysis of operating conditions influence on anode polarization is presented. Hysteresis due to operating condition is observed; experimental results suggest that it arises from methanol accumulation and has to be considered in evaluating DMFC performances and measurements reproducibility. A model of DMFC anode polarization is presented and utilised as tool to investigate anode two-phase flow. The proposed analysis permits one to produce a confident interpretation of the main involved phenomena. In particular, it confirms that methanol electro-oxidation kinetics is weakly dependent on methanol concentration and that methanol transport in gas phase produces an important contribution in anode feeding. Moreover, it emphasises the possibility to optimise anode flow rate in order to improve DMFC performance and reduce methanol crossover.

  16. Polarity-Driven Geometrical Cluster Growth Model of Budding Yeast

    Science.gov (United States)

    Cabral, Reniel B.; Lim, May T.

    We present a polarity-driven activator-inhibitor model of budding yeast in a two-dimensional medium wherein impeding metabolites secretion (or growth inhibitors) and growth directionality are determined by the local nutrient level. We found that colony size and morphological features varied with nutrient concentration. A branched-type morphology is associated with high impeding metabolite concentration together with a high fraction of distal budding, while opposite conditions (low impeding metabolite concentration, high fraction of proximal budding) promote Eden-type patterns. Increasing the anisotropy factor (or polarity) produced other spatial patterns akin to the electrical breakdown under varying electric field. Rapid changes in the colony morphology, which we conjecture to be equivalent to a transition from an inactive quiescent state to an active budding state, appeared when nutrients were limited.

  17. Complex susceptibility of the cage model of polar liquids

    CERN Document Server

    Coffey, W T; Kalmykov, Yu P; Titov, S V

    2003-01-01

    The Langevin equations of motion of the cage model of polar liquids originally proposed by Hill (1963 Proc. Phys. Soc. 82 723) are solved for the first time for the particular case of rotation about a fixed axis, using a newly developed matrix continued fraction method. It is shown that the cage model predicts both the low-frequency Debye relaxation and a pronounced high-frequency (Poley) absorption peak in the far-infrared (FIR) region. The similarity of the equations of motion of the cage model to the equations which arise in the problem of generalizing the Onsager model of polar fluids to include a time-varying applied field suggests that the FIR (Poley) absorption may have its origins in the combined influence of molecular inertia and the torque due to the reaction field in the frequency-dependent version of the Onsager model. The complex susceptibility yielded by the cage model is shown to be in good agreement with experimental data on CH sub 3 Cl that were taken as a typical example. Moreover, a simple ...

  18. From continuum analytical description to discrete numerical modelling of localized fluidization in granular media

    Directory of Open Access Journals (Sweden)

    Puig i Montellà Eduard

    2017-01-01

    Full Text Available We present analytical and numerical results on localized fluidization within a granular layer subjected to a local injection of fluid. As the injection rate increases the three different regimes previously reported in the literature are recovered: homogeneous expansion of the bed, fluidized cavity in which fluidization starts developing above the injection area, and finally the chimney of fluidized grains when the fluidization zone reaches the free surface. The analytical approach is at the continuum scale, based on Darcy’s law and Therzaghi’s effective stress principle. It provides a good description of the phenomenon as long as the porosity of the granular assembly remains relatively homogeneous. The numerical approach is at the particle scale based on the coupled DEM-PFV method. It tackles the more heterogeneous situations which occur at larger injection rates. A direct link is evidenced between the occurrence of the different regimes of fluidization and the injection aperture. Finally, the merging of chimneys in case of two injection points is investigated.

  19. Continuum modeling investigation of gigahertz oscillators based on a C60 fullerene inside cyclic peptide nanotubes

    Science.gov (United States)

    Sadeghi, F.; Ansari, R.; Darvizeh, M.

    2016-02-01

    Research concerning the fabrication of nano-oscillators with operating frequency in the gigahertz (GHz) range has become a focal point in recent years. In this paper, a new type of GHz oscillators is introduced based on a C60 fullerene inside a cyclic peptide nanotube (CPN). To study the dynamic behavior of such nano-oscillators, using the continuum approximation in conjunction with the 6-12 Lennard-Jones (LJ) potential function, analytical expressions are derived to determine the van der Waals (vdW) potential energy and interaction force between the two interacting molecules. Employing Newton's second law, the equation of motion is solved numerically to arrive at the telescopic oscillatory motion of a C60 fullerene inside CPNs. It is shown that the fullerene molecule exhibits different kinds of oscillation inside peptide nanotubes which are sensitive to the system parameters. Furthermore, for the precise evaluation of the oscillation frequency, a novel semi-analytical expression is proposed based on the conservation of the mechanical energy principle. Numerical results are presented to comprehensively study the effects of the number of peptide units and initial conditions (initial separation distance and velocity) on the oscillatory behavior of C60 -CPN oscillators. It is found out that for peptide nanotubes comprised of one unit, the maximum achievable frequency is obtained when the inner core oscillates with respect to its preferred positions located outside the tube, while for other numbers of peptide units, such frequency is obtained when the inner core oscillates with respect to the preferred positions situated in the space between the two first or the two last units. It is further found out that four peptide units are sufficient to obtain the optimal frequency.

  20. Insight into the influence of liquid paraffin for methanol synthesis on Cu(110) surface using continuum and atomistic models

    International Nuclear Information System (INIS)

    Jiao, Wei-Hong; Liu, Shi-Zhong; Zuo, Zhi-Jun; Ren, Rui-Peng; Gao, Zhi-Hua; Huang, Wei

    2016-01-01

    Highlights: • The influence of liquid paraffin is studied using continuum and atomistic models. • Liquid paraffin does not alter the reaction pathways of CO hydrogenation and WGS. • Liquid paraffin alters the reaction pathways of CO 2 hydrogenation. - Abstract: Methanol synthesis from CO/CO 2 hydrogenation and water-gas shift (WGS) reaction on Cu(110) in liquid paraffin and vacuum have been systematically researched with density functional theory calculation (DFT). For methanol synthesis from CO hydrogenation, the reaction pathways in liquid paraffin and vacuum are CO + H → HCO → H 2 CO → H 3 CO → H 3 COH; in the case of WGS, the reaction pathways in liquid paraffin and vacuum are CO + 2H 2 O → CO + 2OH + 2H → CO + H 2 O + O + H 2 → CO 2 + H 2 O + H 2 ; the reaction pathways of methanol synthesis from CO 2 hydrogenation in liquid paraffin and vacuum are CO 2 + H → HCOO → H 2 COO → H 2 CO → H 3 CO → H 3 COH and CO 2 + H → HCOO → HCOOH → H 2 COOH → H 3 CO → H 3 COH, respectively. The result shows that liquid paraffin does not affect the reaction mechanisms of methanol synthesis from CO and WGS, but it changes the reaction mechanisms of methanol synthesis from CO 2 hydrogenation. Hirshfeld charge and the d-band centers indicate that the catalytic activity of Cu(110) in liquid paraffin is smaller than that in vacuum. Our results also show that it is necessary to consider both continuum and atomistic models in the slurry bed.

  1. Insight into the influence of liquid paraffin for methanol synthesis on Cu(110) surface using continuum and atomistic models

    Energy Technology Data Exchange (ETDEWEB)

    Jiao, Wei-Hong [Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Liu, Shi-Zhong [Department of Chemistry, Stony Brook University, Stony Brook, NY 11794 (United States); Zuo, Zhi-Jun, E-mail: zuozhijun@tyut.edu.cn [Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Ren, Rui-Peng; Gao, Zhi-Hua [Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Huang, Wei, E-mail: huangwei@tyut.edu.cn [Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China)

    2016-11-30

    Highlights: • The influence of liquid paraffin is studied using continuum and atomistic models. • Liquid paraffin does not alter the reaction pathways of CO hydrogenation and WGS. • Liquid paraffin alters the reaction pathways of CO{sub 2} hydrogenation. - Abstract: Methanol synthesis from CO/CO{sub 2} hydrogenation and water-gas shift (WGS) reaction on Cu(110) in liquid paraffin and vacuum have been systematically researched with density functional theory calculation (DFT). For methanol synthesis from CO hydrogenation, the reaction pathways in liquid paraffin and vacuum are CO + H → HCO → H{sub 2}CO → H{sub 3}CO → H{sub 3}COH; in the case of WGS, the reaction pathways in liquid paraffin and vacuum are CO + 2H{sub 2}O → CO + 2OH + 2H → CO + H{sub 2}O + O + H{sub 2} → CO{sub 2} + H{sub 2}O + H{sub 2}; the reaction pathways of methanol synthesis from CO{sub 2} hydrogenation in liquid paraffin and vacuum are CO{sub 2} + H → HCOO → H{sub 2}COO → H{sub 2}CO → H{sub 3}CO → H{sub 3}COH and CO{sub 2} + H → HCOO → HCOOH → H{sub 2}COOH → H{sub 3}CO → H{sub 3}COH, respectively. The result shows that liquid paraffin does not affect the reaction mechanisms of methanol synthesis from CO and WGS, but it changes the reaction mechanisms of methanol synthesis from CO{sub 2} hydrogenation. Hirshfeld charge and the d-band centers indicate that the catalytic activity of Cu(110) in liquid paraffin is smaller than that in vacuum. Our results also show that it is necessary to consider both continuum and atomistic models in the slurry bed.

  2. Model for self-polarization and motility of keratocyte fragments

    KAUST Repository

    Ziebert, F.

    2011-10-19

    Computational modelling of cell motility on substrates is a formidable challenge; regulatory pathways are intertwined and forces that influence cell motion are not fully quantified. Additional challenges arise from the need to describe a moving deformable cell boundary. Here, we present a simple mathematical model coupling cell shape dynamics, treated by the phase-field approach, to a vector field describing the mean orientation (polarization) of the actin filament network. The model successfully reproduces the primary phenomenology of cell motility: discontinuous onset of motion, diversity of cell shapes and shape oscillations. The results are in qualitative agreement with recent experiments on motility of keratocyte cells and cell fragments. The asymmetry of the shapes is captured to a large extent in this simple model, which may prove useful for the interpretation of experiments.

  3. Preferential macrophage recruitment and polarization in LPS-induced animal model for COPD: noninvasive tracking using MRI.

    Directory of Open Access Journals (Sweden)

    Achraf Al Faraj

    Full Text Available Noninvasive imaging of macrophages activity has raised increasing interest for diagnosis of chronic obstructive respiratory diseases (COPD, which make them attractive vehicles to deliver contrast agents for diagnostic or drugs for therapeutic purposes. This study was designed to monitor and evaluate the migration of differently polarized M1 and M2 iron labeled macrophage subsets to the lung of a LPS-induced COPD animal model and to assess their polarization state once they have reached the inflammatory sites in the lung after intravenous injection. Ex vivo polarized bone marrow derived M1 or M2 macrophages were first efficiently and safely labeled with amine-modified PEGylated dextran-coated SPIO nanoparticles and without altering their polarization profile. Their biodistribution in abdominal organs and their homing to the site of inflammation in the lung was tracked for the first time using a free-breathing non-invasive MR imaging protocol on a 4.7T magnet after their intravenous administration. This imaging protocol was optimized to allow both detection of iron labeled macrophages and visualization of inflammation in the lung. M1 and M2 macrophages were successfully detected in the lung starting from 2 hours post injection with no variation in their migration profile. Quantification of cytokines release, analysis of surface membrane expression using flow cytometry and immunohistochemistry investigations confirmed the successful recruitment of injected iron labeled macrophages in the lung of COPD mice and revealed that even with a continuum switch in the polarization profile of M1 and M2 macrophages during the time course of inflammation a balanced number of macrophage subsets predominate.

  4. A two-dimensional continuum model of biofilm growth incorporating fluid flow and shear stress based detachment

    KAUST Repository

    Duddu, Ravindra

    2009-05-01

    We present a two-dimensional biofilm growth model in a continuum framework using an Eulerian description. A computational technique based on the eXtended Finite Element Method (XFEM) and the level set method is used to simulate the growth of the biofilm. The model considers fluid flow around the biofilm surface, the advection-diffusion and reaction of substrate, variable biomass volume fraction and erosion due to the interfacial shear stress at the biofilm-fluid interface. The key assumptions of the model and the governing equations of transport, biofilm kinetics and biofilm mechanics are presented. Our 2D biofilm growth results are in good agreement with those obtained by Picioreanu et al. (Biotechnol Bioeng 69(5):504-515, 2000). Detachment due to erosion is modeled using two continuous speed functions based on: (a) interfacial shear stress and (b) biofilm height. A relation between the two detachment models in the case of a 1D biofilm is established and simulated biofilm results with detachment in 2D are presented. The stress in the biofilm due to fluid flow is evaluated and higher stresses are observed close to the substratum where the biofilm is attached. © 2008 Wiley Periodicals, Inc.

  5. FDTD modelling of induced polarization phenomena in transient electromagnetics

    Science.gov (United States)

    Commer, Michael; Petrov, Peter V.; Newman, Gregory A.

    2017-04-01

    The finite-difference time-domain scheme is augmented in order to treat the modelling of transient electromagnetic signals containing induced polarization effects from 3-D distributions of polarizable media. Compared to the non-dispersive problem, the discrete dispersive Maxwell system contains costly convolution operators. Key components to our solution for highly digitized model meshes are Debye decomposition and composite memory variables. We revert to the popular Cole-Cole model of dispersion to describe the frequency-dependent behaviour of electrical conductivity. Its inversely Laplace-transformed Debye decomposition results in a series of time convolutions between electric field and exponential decay functions, with the latter reflecting each Debye constituents' individual relaxation time. These function types in the discrete-time convolution allow for their substitution by memory variables, annihilating the otherwise prohibitive computing demands. Numerical examples demonstrate the efficiency and practicality of our algorithm.

  6. Biomedical implications from a morphoelastic continuum model for the simulation of contracture formation in skin grafts that cover excised burns.

    Science.gov (United States)

    Koppenol, Daniël C; Vermolen, Fred J

    2017-08-01

    A continuum hypothesis-based model is developed for the simulation of the (long term) contraction of skin grafts that cover excised burns in order to obtain suggestions regarding the ideal length of splinting therapy and when to start with this therapy such that the therapy is effective optimally. Tissue is modeled as an isotropic, heterogeneous, morphoelastic solid. With respect to the constituents of the tissue, we selected the following constituents as primary model components: fibroblasts, myofibroblasts, collagen molecules, and a generic signaling molecule. Good agreement is demonstrated with respect to the evolution over time of the surface area of unmeshed skin grafts that cover excised burns between outcomes of computer simulations obtained in this study and scar assessment data gathered previously in a clinical study. Based on the simulation results, we suggest that the optimal point in time to start with splinting therapy is directly after placement of the skin graft on its recipient bed. Furthermore, we suggest that it is desirable to continue with splinting therapy until the concentration of the signaling molecules in the grafted area has become negligible such that the formation of contractures can be prevented. We conclude this study with a presentation of some alternative ideas on how to diminish the degree of contracture formation that are not based on a mechanical intervention, and a discussion about how the presented model can be adjusted.

  7. A New Approach to the Modeling and Analysis of Fracture through Extension of Continuum Mechanics to the Nanoscale

    KAUST Repository

    Sendova, T.

    2010-02-15

    In this paper we focus on the analysis of the partial differential equations arising from a new approach to modeling brittle fracture based on an extension of continuum mechanics to the nanoscale. It is shown that ascribing constant surface tension to the fracture surfaces and using the appropriate crack surface boundary condition given by the jump momentum balance leads to a sharp crack opening profile at the crack tip but predicts logarithmically singular crack tip stress. However, a modified model, where the surface excess property is responsive to the curvature of the fracture surfaces, yields bounded stresses and a cusp-like opening profile at the crack tip. Further, two possible fracture criteria in the context of the new theory are discussed. The first is an energy-based crack growth condition, while the second employs the finite crack tip stress the model predicts. The classical notion of energy release rate is based upon the singular solution, whereas for the modeling approach adopted here, a notion analogous to the energy release rate arises through a different mechanism associated with the rate of working of the surface excess properties at the crack tip. © The Author(s), 2010.

  8. Rigorous vectorial modeling for polarized illumination and projection pupil in OPC

    Science.gov (United States)

    Zhang, Qiaolin; Song, Hua; Lucas, Kevin; Ward, Brian; Shiely, James

    2008-05-01

    High NA and Ultra-High NA (NA>1.0) applications for low k1 imaging strongly demand the adoption of polarized illumination as a resolution enhancement technology since proper illumination polarization configuration can greatly improve the image contrast hence pattern printing fidelity and the effectiveness of optical proximity correction (OPC). However, current OPC/RET modeling software can only model the light source polarization of simple types, such as TE, TM, X, Y, or sector polarization with relatively simple configuration. Realistic polarized light used in scanners is more complex than the aforementioned simple ones. As a result, simulation accuracy and quality of the OPC result will be compromised by the simplification of the light source polarization modeling in the traditional approach. With ever shrinking CD error budget in the manufacturing of IC's at advanced technology nodes, more accurate and comprehensive illumination source modeling for lithography simulations and OPC/RET is needed. On the other hand, for polarized illumination to be fully effective, ideally all the components in the optical lithography system should not alter the polarization state of light during its propagation from illuminator to wafer surface. In current OPC modeling tools, it is typically assumed that the amplitude and polarization state of the light do not change as it passes through the projection lens pupil, i.e. the polarization aberration of projection lens pupil is ignored. However, in reality, the projection lens pupil of the scanner does change the amplitude and the polarization state to some extent, and ignorance of projection pupil induced polarization state and amplitude changes will cause CD errors un-tolerable at the 45nm device generation and beyond. We developed an OPC-deployable modeling approach to model arbitrarily polarized light source and arbitrarily polarized projection lens pupil. Based on polarization state vector descriptions of a general illumination

  9. Modelling polarization dependent absorption: The vectorial Lambert-Beer law

    Science.gov (United States)

    Franssens, G.

    2014-07-01

    The scalar Lambert-Beer law, describing the absorption of unpolarized light travelling through a linear non-scattering medium, is simple, well-known, and mathematically trivial. However, when we take the polarization of light into account and consider a medium with polarization dependent absorption, we now need a Vectorial Lambert-Beer Law (VLBL) to quantify this interaction. Such a generalization of the scalar Lambert-Beer law appears not to be readily available. A careful study of this topic reveals that it is not a trivial problem. We will see that the VLBL is not and cannot be a straightforward vectorized version of its scalar counterpart. The aim of the work is to present the general form of the VLBL and to explain how it arises. A reasonable starting point to derive the VLBL is the Vectorial Radiative Transfer Equation (VRTE), which models the absorption and scattering of (partially) polarized light travelling through a linear medium. When we turn off scattering, the VRTE becomes an infinitesimal model for the VLBL holding in the medium. By integrating this equation, we expect to find the VLBL. Surprisingly, this is not the end of the story. It turns out that light propagation through a medium with polarization-dependent absorption is mathematically not that trivial. The trickiness behind the VLBL can be understood in the following terms. The matrix in the VLBL, relating any input Stokes vector to the corresponding output Stokes vector, must necessarily be a Mueller matrix. The subset of invertible Mueller matrices forms a Lie group. It is known that this Lie group contains the ortho-chronous Lorentz group as a subgroup. The group manifold of this subgroup has a (well-known) non-trivial topology. Consequently, the manifold of the Lie group of Mueller matrices also has (at least the same, but likely a more general) non-trivial topology (the full extent of which is not yet known). The type of non-trivial topology, possessed by the manifold of (invertible

  10. Accurate Laser Measurements of the Water Vapor Self-Continuum Absorption in Four Near Infrared Atmospheric Windows. a Test of the MT_CKD Model.

    Science.gov (United States)

    Campargue, Alain; Kassi, Samir; Mondelain, Didier; Romanini, Daniele; Lechevallier, Loïc; Vasilchenko, Semyon

    2017-06-01

    The semi empirical MT_CKD model of the absorption continuum of water vapor is widely used in atmospheric radiative transfer codes of the atmosphere of Earth and exoplanets but lacks of experimental validation in the atmospheric windows. Recent laboratory measurements by Fourier transform Spectroscopy have led to self-continuum cross-sections much larger than the MT_CKD values in the near infrared transparency windows. In the present work, we report on accurate water vapor absorption continuum measurements by Cavity Ring Down Spectroscopy (CRDS) and Optical-Feedback-Cavity Enhanced Laser Spectroscopy (OF-CEAS) at selected spectral points of the transparency windows centered around 4.0, 2.1 and 1.25 μm. The temperature dependence of the absorption continuum at 4.38 μm and 3.32 μm is measured in the 23-39 °C range. The self-continuum water vapor absorption is derived either from the baseline variation of spectra recorded for a series of pressure values over a small spectral interval or from baseline monitoring at fixed laser frequency, during pressure ramps. In order to avoid possible bias approaching the water saturation pressure, the maximum pressure value was limited to about 16 Torr, corresponding to a 75% humidity rate. After subtraction of the local water monomer lines contribution, self-continuum cross-sections, C_{S}, were determined with a few % accuracy from the pressure squared dependence of the spectra base line level. Together with our previous CRDS and OF-CEAS measurements in the 2.1 and 1.6 μm windows, the derived water vapor self-continuum provides a unique set of water vapor self-continuum cross-sections for a test of the MT_CKD model in four transparency windows. Although showing some important deviations of the absolute values (up to a factor of 4 at the center of the 2.1 μm window), our accurate measurements validate the overall frequency dependence of the MT_CKD2.8 model.

  11. Rational Irrationality: Modeling Climate Change Belief Polarization Using Bayesian Networks.

    Science.gov (United States)

    Cook, John; Lewandowsky, Stephan

    2016-01-01

    Belief polarization is said to occur when two people respond to the same evidence by updating their beliefs in opposite directions. This response is considered to be "irrational" because it involves contrary updating, a form of belief updating that appears to violate normatively optimal responding, as for example dictated by Bayes' theorem. In light of much evidence that people are capable of normatively optimal behavior, belief polarization presents a puzzling exception. We show that Bayesian networks, or Bayes nets, can simulate rational belief updating. When fit to experimental data, Bayes nets can help identify the factors that contribute to polarization. We present a study into belief updating concerning the reality of climate change in response to information about the scientific consensus on anthropogenic global warming (AGW). The study used representative samples of Australian and U.S. Among Australians, consensus information partially neutralized the influence of worldview, with free-market supporters showing a greater increase in acceptance of human-caused global warming relative to free-market opponents. In contrast, while consensus information overall had a positive effect on perceived consensus among U.S. participants, there was a reduction in perceived consensus and acceptance of human-caused global warming for strong supporters of unregulated free markets. Fitting a Bayes net model to the data indicated that under a Bayesian framework, free-market support is a significant driver of beliefs about climate change and trust in climate scientists. Further, active distrust of climate scientists among a small number of U.S. conservatives drives contrary updating in response to consensus information among this particular group. Copyright © 2016 Cognitive Science Society, Inc.

  12. Coarse-graining to the meso and continuum scales with molecular-dynamics-like models

    Science.gov (United States)

    Plimpton, Steve

    Many engineering-scale problems that industry or the national labs try to address with particle-based simulations occur at length and time scales well beyond the most optimistic hopes of traditional coarse-graining methods for molecular dynamics (MD), which typically start at the atomic scale and build upward. However classical MD can be viewed as an engine for simulating particles at literally any length or time scale, depending on the models used for individual particles and their interactions. To illustrate I'll highlight several coarse-grained (CG) materials models, some of which are likely familiar to molecular-scale modelers, but others probably not. These include models for water droplet freezing on surfaces, dissipative particle dynamics (DPD) models of explosives where particles have internal state, CG models of nano or colloidal particles in solution, models for aspherical particles, Peridynamics models for fracture, and models of granular materials at the scale of industrial processing. All of these can be implemented as MD-style models for either soft or hard materials; in fact they are all part of our LAMMPS MD package, added either by our group or contributed by collaborators. Unlike most all-atom MD simulations, CG simulations at these scales often involve highly non-uniform particle densities. So I'll also discuss a load-balancing method we've implemented for these kinds of models, which can improve parallel efficiencies. From the physics point-of-view, these models may be viewed as non-traditional or ad hoc. But because they are MD-style simulations, there's an opportunity for physicists to add statistical mechanics rigor to individual models. Or, in keeping with a theme of this session, to devise methods that more accurately bridge models from one scale to the next.

  13. Polar Coordinate Lattice Boltzmann Kinetic Modeling of Detonation Phenomena

    International Nuclear Information System (INIS)

    Lin Chuan-Dong; Li Ying-Jun; Xu Ai-Guo; Zhang Guang-Cai

    2014-01-01

    A novel polar coordinate lattice Boltzmann kinetic model for detonation phenomena is presented and applied to investigate typical implosion and explosion processes. In this model, the change of discrete distribution function due to local chemical reaction is dynamically coupled into the modified lattice Boltzmann equation which could recover the Navier—Stokes equations, including contribution of chemical reaction, via the Chapman—Enskog expansion. For the numerical investigations, the main focuses are the nonequilibrium behaviors in these processes. The system at the disc center is always in its thermodynamic equilibrium in the highly symmetric case. The internal kinetic energies in different degrees of freedom around the detonation front do not coincide. The dependence of the reaction rate on the pressure, influences of the shock strength and reaction rate on the departure amplitude of the system from its local thermodynamic equilibrium are probed. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  14. A Long-Range Electric Field Solver for Molecular Dynamics Based on Atomistic-to-Continuum Modeling.

    Science.gov (United States)

    Templeton, Jeremy A; Jones, Reese E; Lee, Jonathan W; Zimmerman, Jonathan A; Wong, Bryan M

    2011-06-14

    Understanding charge transport processes at a molecular level is currently hindered by a lack of appropriate models for incorporating nonperiodic, anisotropic electric fields in molecular dynamics (MD) simulations. In this work, we develop a model for including electric fields in MD using an atomistic-to-continuum framework. This framework provides the mathematical and the algorithmic infrastructure to couple finite element (FE) representations of continuous data with atomic data. Our model represents the electric potential on a FE mesh satisfying a Poisson equation with source terms determined by the distribution of the atomic charges. Boundary conditions can be imposed naturally using the FE description of the potential, which then propagate to each atom through modified forces. The method is verified using simulations where analytical solutions are known or comparisons can be made to existing techniques. In addition, a calculation of a salt water solution in a silicon nanochannel is performed to demonstrate the method in a target scientific application in which ions are attracted to charged surfaces in the presence of electric fields and interfering media.

  15. Continuum Modeling of Inductor Hysteresis and Eddy Current Loss Effects in Resonant Circuits

    Energy Technology Data Exchange (ETDEWEB)

    Pries, Jason L. [ORNL; Tang, Lixin [ORNL; Burress, Timothy A. [ORNL

    2017-10-01

    This paper presents experimental validation of a high-fidelity toroid inductor modeling technique. The aim of this research is to accurately model the instantaneous magnetization state and core losses in ferromagnetic materials. Quasi–static hysteresis effects are captured using a Preisach model. Eddy currents are included by coupling the associated quasi-static Everett function to a simple finite element model representing the inductor cross sectional area. The modeling technique is validated against the nonlinear frequency response from two different series RLC resonant circuits using inductors made of electrical steel and soft ferrite. The method is shown to accurately model shifts in resonant frequency and quality factor. The technique also successfully predicts a discontinuity in the frequency response of the ferrite inductor resonant circuit.

  16. Induced polarization of clay-sand mixtures: experiments and modeling

    International Nuclear Information System (INIS)

    Okay, G.; Leroy, P.; Tournassat, C.; Ghorbani, A.; Jougnot, D.; Cosenza, P.; Camerlynck, C.; Cabrera, J.; Florsch, N.; Revil, A.

    2012-01-01

    were performed with a cylindrical four-electrode sample-holder (cylinder made of PVC with 30 cm in length and 19 cm in diameter) associated with a SIP-Fuchs II impedance meter and non-polarizing Cu/CuSO 4 electrodes. These electrodes were installed at 10 cm from the base of the sample holder and regularly spaced (each 90 degree). The results illustrate the strong impact of the Cationic Exchange Capacity (CEC) of the clay minerals upon the complex conductivity. The amplitude of the in-phase conductivity of the kaolinite-clay samples is strongly dependent to saturating fluid salinity for all volumetric clay fractions, whereas the in-phase conductivity of the smectite-clay samples is quite independent on the salinity, except at the low clay content (5% and 1% of clay in volume). This is due to the strong and constant surface conductivity of smectite associated with its very high CEC. The quadrature conductivity increases steadily with the CEC and the clay content. We observe that the dependence on frequency of the quadrature conductivity of sand-kaolinite mixtures is more important than for sand-bentonite mixtures. For both types of clay, the quadrature conductivity seems to be fairly independent on the pore fluid salinity except at very low clay contents (1% in volume of kaolinite-clay). This is due to the constant surface site density of Na counter-ions in the Stern layer of clay materials. At the lowest clay content (1%), the magnitude of the quadrature conductivity increases with the salinity, as expected for silica sands. In this case, the surface site density of Na counter-ions in the Stern layer increases with salinity. The experimental data show good agreement with predicted values given by our Spectral Induced Polarization (SIP) model. This complex conductivity model considers the electrochemical polarization of the Stern layer coating the clay particles and the Maxwell-Wagner polarization. We use the differential effective medium theory to calculate the complex

  17. A Continuum of Male Controls and Violence against Women: A Teaching Model.

    Science.gov (United States)

    Stout, Karen D.

    1991-01-01

    A model for teaching social work students and professionals about widely existing severe, subtle, and overt forms of male controls and violence against women is described. Topics addressed during a three-hour workshop ranged from sexist language to harassment, battery, and femicide. Evaluation of workshops using the model suggest participants…

  18. Modeling Cable and Guide Channel Interaction in a High-Strength Cable-Driven Continuum Manipulator.

    Science.gov (United States)

    Moses, Matthew S; Murphy, Ryan J; Kutzer, Michael D M; Armand, Mehran

    2015-12-01

    This paper presents several mechanical models of a high-strength cable-driven dexterous manipulator designed for surgical procedures. A stiffness model is presented that distinguishes between contributions from the cables and the backbone. A physics-based model incorporating cable friction is developed and its predictions are compared with experimental data. The data show that under high tension and high curvature, the shape of the manipulator deviates significantly from a circular arc. However, simple parametric models can fit the shape with good accuracy. The motivating application for this study is to develop a model so that shape can be predicted using easily measured quantities such as tension, so that real-time navigation may be performed, especially in minimally-invasive surgical procedures, while reducing the need for hazardous imaging methods such as fluoroscopy.

  19. Control of Early Age Cracking in Concrete. Phase 4 and 5: Material Modelling, Continuum Approach

    DEFF Research Database (Denmark)

    Hauggaard-Nielsen, Anders Boe; Damkilde, Lars; Hansen, Per Freiesleben

    1997-01-01

    This report deals with numerical modelling of early age concrete. The hydration process giving the strength and stiffness development after casting is discussed. Several factors influence the progress of hydration such as the temperature level and the moisture activity. The factors are coupled...... and a material model is proposed which includes some of the couplings. It is shown how more factors may be incorporated. The model is illustrated through analysis of measured creep response both at a varying load history and at a varying temperature history....

  20. The No-Core Gamow Shell Model: Including the continuum in the NCSM

    CERN Document Server

    Barrett, B R; Michel, N; Płoszajczak, M

    2015-01-01

    We are witnessing an era of intense experimental efforts that will provide information about the properties of nuclei far from the line of stability, regarding resonant and scattering states as well as (weakly) bound states. This talk describes our formalism for including these necessary ingredients into the No-Core Shell Model by using the Gamow Shell Model approach. Applications of this new approach, known as the No-Core Gamow Shell Model, both to benchmark cases as well as to unstable nuclei will be given.

  1. Toward generalized continuum models of granular soil and granular soil-tire interaction: A combined discrete element and thermomicromechanical continuum analysis of densely packed assemblies

    Science.gov (United States)

    2007-04-30

    of papers containing this body of work have described this as a highly innovative approach at the cutting edge of international geomechanics research...for publication in world-leading journals in granular media mechanics, multi-scale modelling, and experimental and theoretical geomechanics research...international geomechanics research”  “an innovative direction for modelling particulate systems”  “should be very useful, enriching the knowledge

  2. An Overview of a Continuum Mechanic Approach to a Thermodynamic Model of Failure

    National Research Council Canada - National Science Library

    Palazotto, A

    1998-01-01

    .... An overview of the thermodynamic definitions, concepts, and principles will be presented. This overview of the thermodynamics is necessary to provided the background needed to understand the damage model, which is based on thermodynamic principles...

  3. Development of Continuum-Atomistic Approach for Modeling Metal Irradiation by Heavy Ions

    Science.gov (United States)

    Batgerel, Balt; Dimova, Stefka; Puzynin, Igor; Puzynina, Taisia; Hristov, Ivan; Hristova, Radoslava; Tukhliev, Zafar; Sharipov, Zarif

    2018-02-01

    Over the last several decades active research in the field of materials irradiation by high-energy heavy ions has been worked out. The experiments in this area are labor-consuming and expensive. Therefore the improvement of the existing mathematical models and the development of new ones based on the experimental data of interaction of high-energy heavy ions with materials are of interest. Presently, two approaches are used for studying these processes: a thermal spike model and molecular dynamics methods. The combination of these two approaches - the continuous-atomistic model - will give the opportunity to investigate more thoroughly the processes of irradiation of materials by high-energy heavy ions. To solve the equations of the continuous-atomistic model, a software package was developed and the block of molecular dynamics software was tested on the heterogeneous cluster HybriLIT.

  4. A novel polar-based human face recognition computational model

    Directory of Open Access Journals (Sweden)

    Y. Zana

    2009-07-01

    Full Text Available Motivated by a recently proposed biologically inspired face recognition approach, we investigated the relation between human behavior and a computational model based on Fourier-Bessel (FB spatial patterns. We measured human recognition performance of FB filtered face images using an 8-alternative forced-choice method. Test stimuli were generated by converting the images from the spatial to the FB domain, filtering the resulting coefficients with a band-pass filter, and finally taking the inverse FB transformation of the filtered coefficients. The performance of the computational models was tested using a simulation of the psychophysical experiment. In the FB model, face images were first filtered by simulated V1- type neurons and later analyzed globally for their content of FB components. In general, there was a higher human contrast sensitivity to radially than to angularly filtered images, but both functions peaked at the 11.3-16 frequency interval. The FB-based model presented similar behavior with regard to peak position and relative sensitivity, but had a wider frequency band width and a narrower response range. The response pattern of two alternative models, based on local FB analysis and on raw luminance, strongly diverged from the human behavior patterns. These results suggest that human performance can be constrained by the type of information conveyed by polar patterns, and consequently that humans might use FB-like spatial patterns in face processing.

  5. Lattice Boltzmann scheme for mixture modeling: analysis of the continuum diffusion regimes recovering Maxwell-Stefan model and incompressible Navier-Stokes equations.

    Science.gov (United States)

    Asinari, Pietro

    2009-11-01

    A finite difference lattice Boltzmann scheme for homogeneous mixture modeling, which recovers Maxwell-Stefan diffusion model in the continuum limit, without the restriction of the mixture-averaged diffusion approximation, was recently proposed [P. Asinari, Phys. Rev. E 77, 056706 (2008)]. The theoretical basis is the Bhatnagar-Gross-Krook-type kinetic model for gas mixtures [P. Andries, K. Aoki, and B. Perthame, J. Stat. Phys. 106, 993 (2002)]. In the present paper, the recovered macroscopic equations in the continuum limit are systematically investigated by varying the ratio between the characteristic diffusion speed and the characteristic barycentric speed. It comes out that the diffusion speed must be at least one order of magnitude (in terms of Knudsen number) smaller than the barycentric speed, in order to recover the Navier-Stokes equations for mixtures in the incompressible limit. Some further numerical tests are also reported. In particular, (1) the solvent and dilute test cases are considered, because they are limiting cases in which the Maxwell-Stefan model reduces automatically to Fickian cases. Moreover, (2) some tests based on the Stefan diffusion tube are reported for proving the complete capabilities of the proposed scheme in solving Maxwell-Stefan diffusion problems. The proposed scheme agrees well with the expected theoretical results.

  6. Comparing thixotropic and Herschel–Bulkley parameterizations for continuum models of avalanches and subaqueous debris flows

    Directory of Open Access Journals (Sweden)

    C.-H. Jeon

    2018-01-01

    Full Text Available Avalanches and subaqueous debris flows are two cases of a wide range of natural hazards that have been previously modeled with non-Newtonian fluid mechanics approximating the interplay of forces associated with gravity flows of granular and solid–liquid mixtures. The complex behaviors of such flows at unsteady flow initiation (i.e., destruction of structural jamming and flow stalling (restructuralization imply that the representative viscosity–stress relationships should include hysteresis: there is no reason to expect the timescale of microstructure destruction is the same as the timescale of restructuralization. The non-Newtonian Herschel–Bulkley relationship that has been previously used in such models implies complete reversibility of the stress–strain relationship and thus cannot correctly represent unsteady phases. In contrast, a thixotropic non-Newtonian model allows representation of initial structural jamming and aging effects that provide hysteresis in the stress–strain relationship. In this study, a thixotropic model and a Herschel–Bulkley model are compared to each other and to prior laboratory experiments that are representative of an avalanche and a subaqueous debris flow. A numerical solver using a multi-material level-set method is applied to track multiple interfaces simultaneously in the simulations. The numerical results are validated with analytical solutions and available experimental data using parameters selected based on the experimental setup and without post hoc calibration. The thixotropic (time-dependent fluid model shows reasonable agreement with all the experimental data. For most of the experimental conditions, the Herschel–Bulkley (time-independent model results were similar to the thixotropic model, a critical exception being conditions with a high yield stress where the Herschel–Bulkley model did not initiate flow. These results indicate that the thixotropic relationship is promising for

  7. Multiscale development of a fission gas thermal conductivity model: Coupling atomic, meso and continuum level simulations

    Science.gov (United States)

    Tonks, Michael R.; Millett, Paul C.; Nerikar, Pankaj; Du, Shiyu; Andersson, David; Stanek, Christopher R.; Gaston, Derek; Andrs, David; Williamson, Richard

    2013-09-01

    Fission gas production and evolution significantly impact the fuel performance, causing swelling, a reduction in the thermal conductivity and fission gas release. However, typical empirical models of fuel properties treat each of these effects separately and uncoupled. Here, we couple a fission gas release model to a model of the impact of fission gas on the fuel thermal conductivity. To quantify the specific impact of grain boundary (GB) bubbles on the thermal conductivity, we use atomistic and mesoscale simulations. Atomistic molecular dynamic simulations were employed to determine the GB thermal resistance. These values were then used in mesoscale heat conduction simulations to develop a mechanistic expression for the effective GB thermal resistance of a GB containing gas bubbles, as a function of the percentage of the GB covered by fission gas. The coupled fission gas release and thermal conductivity model was implemented in Idaho National Laboratory's BISON fuel performance code to model the behavior of a 10-pellet LWR fuel rodlet, showing how the fission gas impacts the UO2 thermal conductivity. Furthermore, additional BISON simulations were conducted to demonstrate the impact of average grain size on both the fuel thermal conductivity and the fission gas release.

  8. Multiscale development of a fission gas thermal conductivity model: Coupling atomic, meso and continuum level simulations

    International Nuclear Information System (INIS)

    Tonks, Michael R.; Millett, Paul C.; Nerikar, Pankaj; Du, Shiyu; Andersson, David; Stanek, Christopher R.; Gaston, Derek; Andrs, David; Williamson, Richard

    2013-01-01

    Fission gas production and evolution significantly impact the fuel performance, causing swelling, a reduction in the thermal conductivity and fission gas release. However, typical empirical models of fuel properties treat each of these effects separately and uncoupled. Here, we couple a fission gas release model to a model of the impact of fission gas on the fuel thermal conductivity. To quantify the specific impact of grain boundary (GB) bubbles on the thermal conductivity, we use atomistic and mesoscale simulations. Atomistic molecular dynamic simulations were employed to determine the GB thermal resistance. These values were then used in mesoscale heat conduction simulations to develop a mechanistic expression for the effective GB thermal resistance of a GB containing gas bubbles, as a function of the percentage of the GB covered by fission gas. The coupled fission gas release and thermal conductivity model was implemented in Idaho National Laboratory’s BISON fuel performance code to model the behavior of a 10-pellet LWR fuel rodlet, showing how the fission gas impacts the UO 2 thermal conductivity. Furthermore, additional BISON simulations were conducted to demonstrate the impact of average grain size on both the fuel thermal conductivity and the fission gas release

  9. Using the Pragmatic-Explanatory Continuum Indicator Summary (PRECIS) model in clinical research: Application to refine a practice-based research network (PBRN) study.

    Science.gov (United States)

    Elder, William G; Munk, Niki

    2014-01-01

    Pragmatic clinical trials (PCTs) are increasingly recommended to evaluate interventions in real-world conditions. Although PCTs share a common approach of evaluating variables from actual clinical practice, multiple characteristics can differ. These differences affect interpretation of the trial. The Pragmatic-Explanatory Continuum Indicator Summary (PRECIS) model was developed in 2009 by the CONSORT Work Group on Pragmatic Trials, published by Thorpe et al, to aid in trial design. PRECIS provides clarity about the generalizability and applicability of a trial by depicting multiple study characteristics. We recently completed a National Institutes of Health-sponsored pilot study examining health-related outcomes for 2 complementary therapies for chronic low back pain in patients referred by primary care providers in the Kentucky Ambulatory Network. In preparation for a larger study, we sought to characterize the pragmatic features of the study to aid in our design decisions. The purpose of this article is to introduce clinical researchers to the PRECIS model while demonstrating its application to refine a practice based research network study. We designed an exercise using an audience response system integrated with a Works in Progress presentation to experienced researchers at the University of Kentucky to examine our study methodologies of parameters suggested by the PRECIS model. The exercise went smoothly and participants remained engaged throughout. The study received an overall summary score of 30.17 (scale of 0 to 48; a higher score indicates a more pragmatic approach), with component scores that differentiate design components of the study. A polar chart is presented to depict the pragmatism of the overall study methodology across each of these components. The study was not as pragmatic as expected. The exercise results seem to be useful in identifying necessary refinements to the study methodology that may benefit future study design and increase

  10. Numerical simulation of self-piercing riveting process (SRP using continuum damage mechanics modelling

    Directory of Open Access Journals (Sweden)

    Nicola Bonora

    2018-04-01

    Full Text Available The extended Bonora damage model was used to investigate joinability of materials in self-piercing riveting process. This updated model formulation accounts for void nucleation and growth process and shear-controlled damage which is critical for shear fracture sensitive materials. Potential joint configurations with dissimilar materials have been investigated computationally. In particular the possible combination of DP600 steel, which is widely used in the automotive industry, with AL2024-T351, which is known to show shear fracture sensitivity, and oxygen-free pure copper, which is known to fail by void nucleation and growth, have been investigated. Preliminary numerical simulation results indicate that the damage modelling is capable to discriminate potential criticalities occurring in the SPR joining process opening the possibility for process parameters optimization and screening of candidate materials for optimum joint

  11. 3D continuum phonon model for group-IV 2D materials

    DEFF Research Database (Denmark)

    Willatzen, Morten; Lew Yan Voon, Lok C.; Gandi, Appala Naidu

    2017-01-01

    . In this paper, we use the model to not only compare the phonon spectra among the group-IV materials but also to study whether these phonons differ from those of a compound material such as molybdenum disulfide. The origin of quadratic modes is clarified. Mode coupling for both graphene and silicene is obtained......, contrary to previous works. Our model allows us to predict the existence of confined optical phonon modes for the group-IV materials but not for molybdenum disulfide. A comparison of the long-wavelength modes to density-functional results is included....

  12. A population-based model for priority setting across the care continuum and across modalities.

    Science.gov (United States)

    Segal, Leonie; Mortimer, Duncan

    2006-03-28

    The Health-sector Wide (HsW) priority setting model is designed to shift the focus of priority setting away from 'program budgets'--that are typically defined by modality or disease-stage--and towards well-defined target populations with a particular disease/health problem. The key features of the HsW model are i) a disease/health problem framework, ii) a sequential approach to covering the entire health sector, iii) comprehensiveness of scope in identifying intervention options and iv) the use of objective evidence. The HsW model redefines the unit of analysis over which priorities are set to include all mutually exclusive and complementary interventions for the prevention and treatment of each disease/health problem under consideration. The HsW model is therefore incompatible with the fragmented approach to priority setting across multiple program budgets that currently characterises allocation in many health systems. The HsW model employs standard cost-utility analyses and decision-rules with the aim of maximising QALYs contingent upon the global budget constraint for the set of diseases/health problems under consideration. It is recognised that the objective function may include non-health arguments that would imply a departure from simple QALY maximisation and that political constraints frequently limit degrees of freedom. In addressing these broader considerations, the HsW model can be modified to maximise value-weighted QALYs contingent upon the global budget constraint and any political constraints bearing upon allocation decisions. The HsW model has been applied in several contexts, recently to osteoarthritis, that has demonstrated both its practical application and its capacity to derive clear evidenced-based policy recommendations. Comparisons with other approaches to priority setting, such as Programme Budgeting and Marginal Analysis (PBMA) and modality-based cost-effectiveness comparisons, as typified by Australia's Pharmaceutical Benefits Advisory

  13. A population-based model for priority setting across the care continuum and across modalities

    Directory of Open Access Journals (Sweden)

    Mortimer Duncan

    2006-03-01

    Full Text Available Abstract Background The Health-sector Wide (HsW priority setting model is designed to shift the focus of priority setting away from 'program budgets' – that are typically defined by modality or disease-stage – and towards well-defined target populations with a particular disease/health problem. Methods The key features of the HsW model are i a disease/health problem framework, ii a sequential approach to covering the entire health sector, iii comprehensiveness of scope in identifying intervention options and iv the use of objective evidence. The HsW model redefines the unit of analysis over which priorities are set to include all mutually exclusive and complementary interventions for the prevention and treatment of each disease/health problem under consideration. The HsW model is therefore incompatible with the fragmented approach to priority setting across multiple program budgets that currently characterises allocation in many health systems. The HsW model employs standard cost-utility analyses and decision-rules with the aim of maximising QALYs contingent upon the global budget constraint for the set of diseases/health problems under consideration. It is recognised that the objective function may include non-health arguments that would imply a departure from simple QALY maximisation and that political constraints frequently limit degrees of freedom. In addressing these broader considerations, the HsW model can be modified to maximise value-weighted QALYs contingent upon the global budget constraint and any political constraints bearing upon allocation decisions. Results The HsW model has been applied in several contexts, recently to osteoarthritis, that has demonstrated both its practical application and its capacity to derive clear evidenced-based policy recommendations. Conclusion Comparisons with other approaches to priority setting, such as Programme Budgeting and Marginal Analysis (PBMA and modality-based cost

  14. Resonant Compton Upscattering Models of Magnetar Hard X-ray Emission and Polarization

    Science.gov (United States)

    Baring, Matthew G.; Wadiasingh, Zorawar; Gonthier, Peter L.; Kust Harding, Alice

    2017-08-01

    Non-thermal quiescent X-ray emission extending between 10 keV and around 150 keV has been seen in about 10 magnetars by RXTE, INTEGRAL, Suzaku and Fermi-GBM. For inner magnetospheric models of such hard X-ray signals, resonant Compton upscattering is anticipated to be the most efficient process for generating the continuum radiation. This is because the scattering becomes resonant at the cyclotron frequency, and the effective cross section exceeds the classical Thomson value by over two orders of magnitude. We present angle-dependent hard X-ray upscattering model spectra for uncooled monoenergetic relativistic electrons injected in inner regions of pulsar magnetospheres. These spectra are integrated over closed field lines and obtained for different observing perspectives. The spectral cut-off energies are critically dependent on the observer viewing angles and electron Lorentz factor. We find that electrons with energies less than around 15 MeV will emit most of their radiation below 250 keV, consistent with the observed turnovers in magnetar hard X-ray tails. Moreover, electrons of higher energy still emit most of the radiation below around 1 MeV, except for quasi-equatorial emission locales for select pulses phases. In such cases, attenuation mechanisms such as pair creation will be prolific, thereby making it difficult to observe signals extending into the Fermi-LAT band. Our spectral computations use new state-of-the-art, spin-dependent formalism for the QED Compton scattering cross section in strong magnetic fields. The emission exhibits strong polarization above around 30 keV that is anticipated to be dependent on pulse phase, thereby defining science agendas for future hard X-ray polarimeters.

  15. Continuum Gyrokinetic Simulations of Turbulence in a Helical Model SOL with NSTX-type parameters

    Science.gov (United States)

    Hammett, G. W.; Shi, E. L.; Hakim, A.; Stoltzfus-Dueck, T.

    2017-10-01

    We have developed the Gkeyll code to carry out 3D2V full- F gyrokinetic simulations of electrostatic plasma turbulence in open-field-line geometries, using special versions of discontinuous-Galerkin algorithms to help with the computational challenges of the edge region. (Higher-order algorithms can also be helpful for exascale computing as they reduce the ratio of communications to computations.) Our first simulations with straight field lines were done for LAPD-type cases. Here we extend this to a helical model of an SOL plasma and show results for NSTX-type parameters. These simulations include the basic elements of a scrape-off layer: bad-curvature/interchange drive of instabilities, narrow sources to model plasma leaking from the core, and parallel losses with model sheath boundary conditions (our model allows currents to flow in and out of the walls). The formation of blobs is observed. By reducing the strength of the poloidal magnetic field, the heat flux at the divertor plate is observed to broaden. Supported by the Max-Planck/Princeton Center for Plasma Physics, the SciDAC Center for the Study of Plasma Microturbulence, and DOE Contract DE-AC02-09CH11466.

  16. Effect of core energy on mobility in a continuum dislocation model

    Science.gov (United States)

    Lee, Dong Wook; Kim, Hojin; Strachan, Alejandro; Koslowski, Marisol

    2011-03-01

    We present a first-principles-based, multiscale single-crystal plasticity model for fcc metals and apply it to nickel. The model consists of a phase field approach to dislocation dynamics (PFDD) with all its input parameters obtained from equilibrium and nonequilibrium molecular-dynamics (MD) simulations. The atomistic information used to inform the phase field model includes elastic constants, dislocation core energy, crystal disregistry energy (gamma surface), and dislocation mobility. We show that the PFDD model can be simplified to the Frenkel-Kontorowa equations for straight dislocations, and under these conditions an analytical time-dependent solution enables a direct connection to nonequilibrium MD simulations. This time-dependent analytical solution provides a relationship between dislocation mobility (ratio between dislocation velocity and applied stress) and fundamental atomic-scale materials properties that arise from the atomistics: unstable stacking fault energy and dislocation core energy and width. We find that the dislocation mobility increases linearly with the ratio between the core energy and unstable stacking fault energy in the PFDD theory.

  17. A microstructurally based continuum model of cartilage viscoelasticity and permeability incorporating measured statistical fiber orientations.

    Science.gov (United States)

    Pierce, David M; Unterberger, Michael J; Trobin, Werner; Ricken, Tim; Holzapfel, Gerhard A

    2016-02-01

    The remarkable mechanical properties of cartilage derive from an interplay of isotropically distributed, densely packed and negatively charged proteoglycans; a highly anisotropic and inhomogeneously oriented fiber network of collagens; and an interstitial electrolytic fluid. We propose a new 3D finite strain constitutive model capable of simultaneously addressing both solid (reinforcement) and fluid (permeability) dependence of the tissue's mechanical response on the patient-specific collagen fiber network. To represent fiber reinforcement, we integrate the strain energies of single collagen fibers-weighted by an orientation distribution function (ODF) defined over a unit sphere-over the distributed fiber orientations in 3D. We define the anisotropic intrinsic permeability of the tissue with a structure tensor based again on the integration of the local ODF over all spatial fiber orientations. By design, our modeling formulation accepts structural data on patient-specific collagen fiber networks as determined via diffusion tensor MRI. We implement our new model in 3D large strain finite elements and study the distributions of interstitial fluid pressure, fluid pressure load support and shear stress within a cartilage sample under indentation. Results show that the fiber network dramatically increases interstitial fluid pressure and focuses it near the surface. Inhomogeneity in the tissue's composition also increases fluid pressure and reduces shear stress in the solid. Finally, a biphasic neo-Hookean material model, as is available in commercial finite element codes, does not capture important features of the intra-tissue response, e.g., distributions of interstitial fluid pressure and principal shear stress.

  18. Model independent analysis of Λ baryon polarizations in Λb→Λl+l- decay

    International Nuclear Information System (INIS)

    Aliev, T.M.; Oezpineci, A.; Savci, M.

    2003-01-01

    We present a model independent analysis of Λ baryon polarizations in the Λ b →Λl + l - decay. The sensitivity of the averaged Λ polarizations to the new Wilson coefficients is studied. It is observed that there exist certain regions of the new Wilson coefficients where the branching ratio coincides with the standard model prediction, while the Λ baryon polarizations deviate from the standard model results remarkably

  19. Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.

    Science.gov (United States)

    Marenich, Aleksandr V; Cramer, Christopher J; Truhlar, Donald G

    2009-05-07

    We present a new continuum solvation model based on the quantum mechanical charge density of a solute molecule interacting with a continuum description of the solvent. The model is called SMD, where the "D" stands for "density" to denote that the full solute electron density is used without defining partial atomic charges. "Continuum" denotes that the solvent is not represented explicitly but rather as a dielectric medium with surface tension at the solute-solvent boundary. SMD is a universal solvation model, where "universal" denotes its applicability to any charged or uncharged solute in any solvent or liquid medium for which a few key descriptors are known (in particular, dielectric constant, refractive index, bulk surface tension, and acidity and basicity parameters). The model separates the observable solvation free energy into two main components. The first component is the bulk electrostatic contribution arising from a self-consistent reaction field treatment that involves the solution of the nonhomogeneous Poisson equation for electrostatics in terms of the integral-equation-formalism polarizable continuum model (IEF-PCM). The cavities for the bulk electrostatic calculation are defined by superpositions of nuclear-centered spheres. The second component is called the cavity-dispersion-solvent-structure term and is the contribution arising from short-range interactions between the solute and solvent molecules in the first solvation shell. This contribution is a sum of terms that are proportional (with geometry-dependent proportionality constants called atomic surface tensions) to the solvent-accessible surface areas of the individual atoms of the solute. The SMD model has been parametrized with a training set of 2821 solvation data including 112 aqueous ionic solvation free energies, 220 solvation free energies for 166 ions in acetonitrile, methanol, and dimethyl sulfoxide, 2346 solvation free energies for 318 neutral solutes in 91 solvents (90 nonaqueous

  20. The Four-Tier Continuum of Academic and Behavioral Support (4T-CABS) Model: An Integrated Model for Medical Student Success.

    Science.gov (United States)

    Stegers-Jager, Karen M; Cohen-Schotanus, Janke; Themmen, Axel P N

    2017-11-01

    Not all students cope successfully with the demands of medical school, and students' struggles may result in study delay or dropout. To prevent these outcomes, medical schools need to identify students who are experiencing academic difficul ties and provide them with timely interventions through access to support programs. Although the importance of early identification and intervention is well recognized, less is known about successful strategies for identifying and supporting struggling students.Building on the literature and their own empirical findings, the authors propose an integrated, school-wide model for medical student success comprising a continuum of academic and behavioral support. This Four-Tier Continuum of Academic and Behavioral Support (4T-CABS) model focuses on improving both academic and behavioral outcomes by offering support for students at four levels, which range from adequate instruction for all, to targeted small-group interventions, to individualized support, and also include exit support for students who might be better off in another degree program. Additionally, medical schools should provide both academic and behavioral support; set high, yet realistic expectations and clearly communicate these to students; and intervene early, which requires timely identification of at-risk students who would benefit from the different types and tiers of support. Finally, interventions should be evidence based and fit the needs of the identified groups of students. The authors argue that adopting the core principles of the 4T-CABS model will enable medical schools to maximize academic engagement and performance for all students.

  1. Developing a medication communication framework across continuums of care using the Circle of Care Modeling approach.

    Science.gov (United States)

    Kitson, Nicole A; Price, Morgan; Lau, Francis Y; Showler, Grey

    2013-10-17

    Medication errors are a common type of preventable errors in health care causing unnecessary patient harm, hospitalization, and even fatality. Improving communication between providers and between providers and patients is a key aspect of decreasing medication errors and improving patient safety. Medication management requires extensive collaboration and communication across roles and care settings, which can reduce (or contribute to) medication-related errors. Medication management involves key recurrent activities (determine need, prescribe, dispense, administer, and monitor/evaluate) with information communicated within and between each. Despite its importance, there is a lack of conceptual models that explore medication communication specifically across roles and settings. This research seeks to address that gap. The Circle of Care Modeling (CCM) approach was used to build a model of medication communication activities across the circle of care. CCM positions the patient in the centre of his or her own healthcare system; providers and other roles are then modeled around the patient as a web of relationships. Recurrent medication communication activities were mapped to the medication management framework. The research occurred in three iterations, to test and revise the model: Iteration 1 consisted of a literature review and internal team discussion, Iteration 2 consisted of interviews, observation, and a discussion group at a Community Health Centre, and Iteration 3 consisted of interviews and a discussion group in the larger community. Each iteration provided further detail to the Circle of Care medication communication model. Specific medication communication activities were mapped along each communication pathway between roles and to the medication management framework. We could not map all medication communication activities to the medication management framework; we added Coordinate as a separate and distinct recurrent activity. We saw many examples of

  2. Developing a medication communication framework across continuums of care using the Circle of Care Modeling approach

    Science.gov (United States)

    2013-01-01

    Background Medication errors are a common type of preventable errors in health care causing unnecessary patient harm, hospitalization, and even fatality. Improving communication between providers and between providers and patients is a key aspect of decreasing medication errors and improving patient safety. Medication management requires extensive collaboration and communication across roles and care settings, which can reduce (or contribute to) medication-related errors. Medication management involves key recurrent activities (determine need, prescribe, dispense, administer, and monitor/evaluate) with information communicated within and between each. Despite its importance, there is a lack of conceptual models that explore medication communication specifically across roles and settings. This research seeks to address that gap. Methods The Circle of Care Modeling (CCM) approach was used to build a model of medication communication activities across the circle of care. CCM positions the patient in the centre of his or her own healthcare system; providers and other roles are then modeled around the patient as a web of relationships. Recurrent medication communication activities were mapped to the medication management framework. The research occurred in three iterations, to test and revise the model: Iteration 1 consisted of a literature review and internal team discussion, Iteration 2 consisted of interviews, observation, and a discussion group at a Community Health Centre, and Iteration 3 consisted of interviews and a discussion group in the larger community. Results Each iteration provided further detail to the Circle of Care medication communication model. Specific medication communication activities were mapped along each communication pathway between roles and to the medication management framework. We could not map all medication communication activities to the medication management framework; we added Coordinate as a separate and distinct recurrent activity

  3. A translational continuum of model systems for evaluating treatment strategies in Alzheimer’s disease: isradipine as a candidate drug

    Directory of Open Access Journals (Sweden)

    Philip F. Copenhaver

    2011-09-01

    A growing body of evidence supports the ‘calcium hypothesis’ of Alzheimer’s disease (AD, which postulates that a variety of insults might disrupt the homeostatic regulation of neuronal calcium (Ca2+ in the brain, resulting in the progressive symptoms that typify the disease. However, despite ongoing efforts to develop new methods for testing therapeutic compounds that might be beneficial in AD, no single bioassay permits both rapid screening and in vivo validation of candidate drugs that target specific components of the Ca2+ regulatory machinery. To address this issue, we have integrated four distinct model systems that provide complementary information about a trial compound: the human neuroblastoma MC65 line, which provides an in vitro model of amyloid toxicity; a transgenic Drosophila model, which develops age-dependent pathologies associated with AD; the 3×TgAD transgenic mouse, which recapitulates many of the neuropathological features that typify AD; and the embryonic nervous system of Manduca, which provides a novel in vivo assay for the acute effects of amyloid peptides on neuronal motility. To demonstrate the value of this ‘translational suite’ of bioassays, we focused on a set of clinically approved dihydropyridines (DHPs, a class of well-defined inhibitors of L-type calcium channels that have been suggested to be neuroprotective in AD. Among the DHPs tested in this study, we found that isradipine reduced the neurotoxic consequences of β-amyloid accumulation in all four model systems without inducing deleterious side effects. Our results provide new evidence in support of the Ca2+ hypothesis of AD, and indicate that isradipine represents a promising drug for translation into clinical trials. In addition, these studies also demonstrate that this continuum of bioassays (representing different levels of complexity provides an effective means of evaluating other candidate compounds that target specific components of the Ca2+ regulatory machinery

  4. Strain gradient crystal plasticity: A continuum mechanics approach to modeling micro-structural evolution

    DEFF Research Database (Denmark)

    El-Naaman, Salim Abdallah; Nielsen, Kim Lau; Niordson, Christian Frithiof

    2015-01-01

    In agreement with dislocation theory, recent experiments show, both quantitatively and qualitatively, how geometrically necessary dislocations (GNDs) distribute in dislocation wall and cell structures. Hence, GND density fields are highly localized with large gradients and discontinuities occurri....... A phenomenological back stress formulation is proposed, through which the effect of the GND gradient exponent can be studied. It is shown that this model can lead to more localized GND distributions.......In agreement with dislocation theory, recent experiments show, both quantitatively and qualitatively, how geometrically necessary dislocations (GNDs) distribute in dislocation wall and cell structures. Hence, GND density fields are highly localized with large gradients and discontinuities occurring...... between the cells. This behavior is not typical for strain gradient crystal plasticity models. The present study employs a higher order extension of conventional crystal plasticity theory in which the viscous slip rate is influenced by the gradients of GND densities through a back stress...

  5. Discrete-continuum multiscale model for transport, biomass development and solid restructuring in porous media

    Science.gov (United States)

    Ray, Nadja; Rupp, Andreas; Prechtel, Alexander

    2017-09-01

    Upscaling transport in porous media including both biomass development and simultaneous structural changes in the solid matrix is extremely challenging. This is because both affect the medium's porosity as well as mass transport parameters and flow paths. We address this challenge by means of a multiscale model. At the pore scale, the local discontinuous Galerkin (LDG) method is used to solve differential equations describing particularly the bacteria's and the nutrient's development. Likewise, a sticky agent tightening together solid or bio cells is considered. This is combined with a cellular automaton method (CAM) capturing structural changes of the underlying computational domain stemming from biomass development and solid restructuring. Findings from standard homogenization theory are applied to determine the medium's characteristic time- and space-dependent properties. Investigating these results enhances our understanding of the strong interplay between a medium's functional properties and its geometric structure. Finally, integrating such properties as model parameters into models defined on a larger scale enables reflecting the impact of pore scale processes on the larger scale.

  6. Continuum Kinetic Plasma Modeling Using a Conservative 4th-Order Method with AMR

    Science.gov (United States)

    Vogman, Genia; Colella, Phillip

    2012-10-01

    When the number of particles in a Debye sphere is large, a plasma can be accurately represented by a distribution function, which can be treated as a continuous incompressible fluid in phase space. In the most general case the evolution of such a distribution function is described by the 6D Boltzmann-Maxwell partial differential equation system. To address the challenges associated with solving a 6D hyperbolic governing equation, a simpler 3D Vlasov-Poisson system is considered. A 4th-order accurate Vlasov-Poisson model has been developed in one spatial and two velocity dimensions. The governing equation is cast in conservation law form and is solved with a finite volume representation. Adaptive mesh refinement (AMR) is used to allow for efficient use of computational resources while maintaining desired levels of resolution. The model employs a flux limiter to remedy non-physical effects such as numerical dispersion. The model is tested on the two-stream, beam-plasma, and Dory-Guest-Harris instabilities. All results are compared with linear theory.

  7. Voice identity discrimination and hallucination-proneness in healthy young adults: a further challenge to the continuum model of psychosis?

    Science.gov (United States)

    Chhabra, Saruchi; Badcock, Johanna C; Maybery, Murray T; Leung, Doris

    2014-01-01

    Auditory hallucinations occur in schizophrenia and also in the general population. However, evidence points to differences in the nature and the mechanisms of clinical and non-clinical hallucinations, challenging the dominant assumption that they represent the same phenomenon. The current study extended this evidence by examining voice identity perception in hallucination-prone individuals. In schizophrenia, deficiencies discriminating between real (external) voices have been linked to basic acoustic cues, but voice discrimination has not yet been investigated in non-clinical hallucinations. Using a task identical to that employed in patients, multidimensional scaling of voice dissimilarity judgements was used to examine how healthy individuals differing in hallucination-proneness (30 high and 30 low hallucination-prone individuals) distinguish pairs of unfamiliar voices. The resulting dimensions were interpreted with reference to acoustic measures relevant to voice identity. A two-dimensional "voice space", defined by fundamental frequency (F0) and formant dispersion (Df), was derived for high and low hallucination-prone groups. There were no significant differences in speaker discrimination for high versus low hallucination-prone individuals on the basis of either F0 or Df. These findings suggest voice identity perception is not impaired in healthy individuals predisposed to hallucinations, adding a further challenge to the continuum model of psychotic symptoms.

  8. Tendon-Driven Continuum Robot for Endoscopic Surgery: Preclinical Development and Validation of a Tension Propagation Model.

    Science.gov (United States)

    Kato, Takahisa; Okumura, Ichiro; Song, Sang-Eun; Golby, Alexandra J; Hata, Nobuhiko

    2015-10-01

    In this paper, we present a tendon-driven continuum robot for endoscopic surgery. The robot has two sections for articulation actuated by tendon wires. By actuating the two sections independently, the robot can generate a variety of tip positions while maintaining the tip direction. This feature offers more flexibility in positioning the tip for large viewing angles of up to 180 degrees than does a conventional endoscope. To accurately estimate the tip position at large viewing angles, we employed kinematic mapping with a tension propagation model including friction between the tendon wires and the robot body. In a simulation study using this kinematic-mapping, the two-section robot at a target scale (outer diameter 1.7 mm and length 60 mm) produced a variety of tip positions within 50-mm ranges at the 180°-angle view. In the experimental validation, a 10:1 scale prototype performed three salient postures with different tip positions at the 180°-angle view. The proposed forward kinematic mapping (FKM) predicted the tip position within a tip-to-tip error of 6 mm over the 208-mm articulating length. The tip-to-tip error by FKM was significantly less than the one by conventional piecewise-constant-curvature approximation (PCCA) (FKM: 5.9 ± 2.9 mm vs. PCCA: 23.7 ± 3.6 mm, n=15, P < 0.01).

  9. Smoothed particle hydrodynamics modelling in continuum mechanics: fluid-structure interaction

    Directory of Open Access Journals (Sweden)

    Groenenboom P. H. L.

    2009-06-01

    Full Text Available Within this study, the implementation of the smoothed particle hydrodynamics (SPH method solving the complex problem of interaction between a quasi-incompressible fluid involving a free surface and an elastic structure is outlined. A brief description of the SPH model for both the quasi-incompressible fluid and the isotropic elastic solid is presented. The interaction between the fluid and the elastic structure is realised through the contact algorithm. The results of numerical computations are confronted with the experimental as well as computational data published in the literature.

  10. The constitutive relation and small scale parameter of nonlocal continuum mechanics for modelling carbon nanotubes.

    Science.gov (United States)

    Wang, Q; Wang, C M

    2007-02-21

    In this paper, the constitutive relations of nonlocal elasticity theory are presented for application in the analysis of carbon nanotubes (CNTs) when modelled as Euler-Bernoulli beams, Timoshenko beams or as cylindrical shells. In particular, the shear stress and strain relation for the nonlocal Timoshenko beam theory is discussed in great detail due to a misconception by some researchers that the nonlocal effect should appear in this constitutive relation. Different theories for proposing the value of the small scale parameter are also introduced and a recommendation for the value from the standpoint of wave propagation of CNTs is given.

  11. Mesoscale models for stacking faults, deformation twins and martensitic transformations: Linking atomistics to continuum

    Science.gov (United States)

    Kibey, Sandeep A.

    We present a hierarchical approach that spans multiple length scales to describe defect formation---in particular, formation of stacking faults (SFs) and deformation twins---in fcc crystals. We link the energy pathways (calculated here via ab initio density functional theory, DFT) associated with formation of stacking faults and twins to corresponding heterogeneous defect nucleation models (described through mesoscale dislocation mechanics). Through the generalized Peieirls-Nabarro model, we first correlate the width of intrinsic SFs in fcc alloy systems to their nucleation pathways called generalized stacking fault energies (GSFE). We then establish a qualitative dependence of twinning tendency in fee metals and alloys---specifically, in pure Cu and dilute Cu-xAl (x= 5.0 and 8.3 at.%)---on their twin-energy pathways called the generalized planar fault energies (GPFE). We also link the twinning behavior of Cu-Al alloys to their electronic structure by determining the effect of solute Al on the valence charge density redistribution at the SF through ab initio DFT. Further, while several efforts have been undertaken to incorporate twinning for predicting stress-strain response of fcc materials, a fundamental law for critical twinning stress has not yet emerged. We resolve this long-standing issue by linking quantitatively the twin-energy pathways (GPFE) obtained via ab initio DFT to heterogeneous, dislocation-based twin nucleation models. We establish an analytical expression that quantitatively predicts the critical twinning stress in fcc metals in agreement with experiments without requiring any empiricism at any length scale. Our theory connects twinning stress to twin-energy pathways and predicts a monotonic relation between stress and unstable twin stacking fault energy revealing the physics of twinning. We further demonstrate that the theory holds for fcc alloys as well. Our theory inherently accounts for directional nature of twinning which available

  12. Modeling optical and UV polarization of AGNs II. Polarization imaging and complex reprocessing

    Czech Academy of Sciences Publication Activity Database

    Marin, F.; Goosmann, R. W.; Gaskell, C.M.; Porquet, D.; Dovčiak, Michal

    2012-01-01

    Roč. 548, December (2012), A121/1-A121/25 ISSN 0004-6361 R&D Projects: GA MŠk LD12010 Institutional support: RVO:67985815 Keywords : actva galaxies * polarization Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 5.084, year: 2012

  13. Electron correlations in narrow energy bands: modified polar model approach

    Directory of Open Access Journals (Sweden)

    L. Didukh

    2008-09-01

    Full Text Available The electron correlations in narrow energy bands are examined within the framework of the modified form of polar model. This model permits to analyze the effect of strong Coulomb correlation, inter-atomic exchange and correlated hopping of electrons and explain some peculiarities of the properties of narrow-band materials, namely the metal-insulator transition with an increase of temperature, nonlinear concentration dependence of Curie temperature and peculiarities of transport properties of electronic subsystem. Using a variant of generalized Hartree-Fock approximation, the single-electron Green's function and quasi-particle energy spectrum of the model are calculated. Metal-insulator transition with the change of temperature is investigated in a system with correlated hopping. Processes of ferromagnetic ordering stabilization in the system with various forms of electronic DOS are studied. The static conductivity and effective spin-dependent masses of current carriers are calculated as a function of electron concentration at various DOS forms. The correlated hopping is shown to cause the electron-hole asymmetry of transport and ferromagnetic properties of narrow band materials.

  14. 3D Fluid-Structure Interaction Simulation of Aortic Valves Using a Unified Continuum ALE FEM Model

    Directory of Open Access Journals (Sweden)

    Jeannette H. Spühler

    2018-04-01

    Full Text Available Due to advances in medical imaging, computational fluid dynamics algorithms and high performance computing, computer simulation is developing into an important tool for understanding the relationship between cardiovascular diseases and intraventricular blood flow. The field of cardiac flow simulation is challenging and highly interdisciplinary. We apply a computational framework for automated solutions of partial differential equations using Finite Element Methods where any mathematical description directly can be translated to code. This allows us to develop a cardiac model where specific properties of the heart such as fluid-structure interaction of the aortic valve can be added in a modular way without extensive efforts. In previous work, we simulated the blood flow in the left ventricle of the heart. In this paper, we extend this model by placing prototypes of both a native and a mechanical aortic valve in the outflow region of the left ventricle. Numerical simulation of the blood flow in the vicinity of the valve offers the possibility to improve the treatment of aortic valve diseases as aortic stenosis (narrowing of the valve opening or regurgitation (leaking and to optimize the design of prosthetic heart valves in a controlled and specific way. The fluid-structure interaction and contact problem are formulated in a unified continuum model using the conservation laws for mass and momentum and a phase function. The discretization is based on an Arbitrary Lagrangian-Eulerian space-time finite element method with streamline diffusion stabilization, and it is implemented in the open source software Unicorn which shows near optimal scaling up to thousands of cores. Computational results are presented to demonstrate the capability of our framework.

  15. DENSE MULTIPHASE FLOW SIMULATION: CONTINUUM MODEL FOR POLY-DISPERSED SYSTEMS USING KINETIC THEORY

    Energy Technology Data Exchange (ETDEWEB)

    Moses Bogere

    2011-08-31

    The overall objective of the project was to verify the applicability of the FCMOM approach to the kinetic equations describing the particle flow dynamics. For monodispersed systems the fundamental equation governing the particle flow dynamics is the Boltzmann equation. During the project, the FCMOM was successfully applied to several homogeneous and in-homogeneous problems in different flow regimes, demonstrating that the FCMOM has the potential to be used to solve efficiently the Boltzmann equation. However, some relevant issues still need to be resolved, i.e. the homogeneous cooling problem (inelastic particles cases) and the transition between different regimes. In this report, the results obtained in homogeneous conditions are discussed first. Then a discussion of the validation results for in-homogeneous conditions is provided. And finally, a discussion will be provided about the transition between different regimes. Alongside the work on development of FCMOM approach studies were undertaken in order to provide insights into anisotropy or particles kinetics in riser hydrodynamics. This report includes results of studies of multiphase flow with unequal granular temperatures and analysis of momentum re-distribution in risers due to particle-particle and fluid-particle interactions. The study of multiphase flow with unequal granular temperatures entailed both simulation and experimental studies of two particles sizes in a riser and, a brief discussion of what was accomplished will be provided. And finally, a discussion of the analysis done on momentum re-distribution of gas-particles flow in risers will be provided. In particular a discussion of the remaining work needed in order to improve accuracy and predictability of riser hydrodynamics based on two-fluid models and how they can be used to model segregation in risers.

  16. The Class 0 Protostar BHR71: Herschel Observations and Dust Continuum Models

    Science.gov (United States)

    Yang, Yao-Lun; Evans, Neal J., II; Green, Joel D.; Dunham, Michael M.; Jørgensen, Jes K.

    2017-02-01

    We use Herschel spectrophotometry of BHR71, an embedded Class 0 protostar, to provide new constraints on its physical properties. We detect 645 (non-unique) spectral lines among all spatial pixels. At least 61 different spectral lines originate from the central region. A CO rotational diagram analysis shows four excitation temperature components, 43, 197, 397, and 1057 K. Low-J CO lines trace the outflow while the high-J CO lines are centered on the infrared source. The low-excitation emission lines of {{{H}}}2{{O}} trace the large-scale outflow, while the high-excitation emission lines trace a small-scale distribution around the equatorial plane. We model the envelope structure using the dust radiative transfer code, hyperion, incorporating rotational collapse, an outer static envelope, outflow cavity, and disk. The evolution of a rotating collapsing envelope can be constrained by the far-infrared/millimeter spectral energy distribution along with the azimuthally averaged radial intensity profile, and the structure of the outflow cavity plays a critical role at shorter wavelengths. Emission at 20-40 μm requires a cavity with a constant-density inner region and a power-law density outer region. The best-fit model has an envelope mass of 19 {M}⊙ inside a radius of 0.315 pc and a central luminosity of 18.8 {L}⊙ . The time since collapse began is 24,630-44,000 years, most likely around 36,000 years. The corresponding mass infall rate in the envelope (1.2 × 10-5 {M}⊙ {{yr}}-1) is comparable to the stellar mass accretion rate, while the mass-loss rate estimated from the CO outflow is 20% of the stellar mass accretion rate. We find no evidence for episodic accretion.

  17. Molecular hydrogen polarization images of OMC-1

    Science.gov (United States)

    Burton, Michael G.; Minchin, N. R.; Hough, J. H.; Aspin, C.; Axon, D. J.

    1991-01-01

    An image of the polarization of the shocked H2 v = 1-0 S(1) line emission in the core of OMC-1 has been obtained. Along the molecular outflow of the source, the line is dichroically polarized by a medium of aligned grains located between the earth and the shock fronts. The polarization pattern traces the magnetic field direction, which is parallel to the outflow axis and to the large-scale field direction determined from far-IR continuum measurements. Close to the IR source IRc2, the likely source of the outflow, the aligned vectors twist, indicating that the magnetic field direction changes. Modeling the line ratios of scattered H2 lines in the reflection nebula, it is concluded that the size distribution of grains there is typical of the small grains in the diffuse interstellar medium. By contrast, the scattered continuum radiation from the core region suggests that the grains there are larger than this.

  18. Solutions Stability of Initial Boundary Problem, Modeling of Dynamics of Some Discrete Continuum Mechanical System

    Directory of Open Access Journals (Sweden)

    D. A. Eliseev

    2015-01-01

    Full Text Available The solution stability of an initial boundary problem for a linear hybrid system of differential equations, which models the rotation of a rigid body with two elastic rods located in the same plane is studied in the paper. To an axis passing through the mass center of the rigid body perpendicularly to the rods location plane is applied the stabilizing moment proportional to the angle of the system rotation, derivative of the angle, integral of the angle. The external moment provides a feedback. A method of studying the behavior of solutions of the initial boundary problem is proposed. This method allows to exclude from the hybrid system of differential equations partial differential equations, which describe the dynamics of distributed elements of a mechanical system. It allows us to build one equation for an angle of the system rotation. Its characteristic equation defines the stability of solutions of all the system. In the space of feedback-coefficients the areas that provide the asymptotic stability of solutions of the initial boundary problem are built up.

  19. A proposal for a new multiaxial model of psychiatric diagnosis. A continuum-based patient model derived from evolutionary developmental gene-environment interaction.

    Science.gov (United States)

    Leigh, Hoyle

    2009-01-01

    To review recent genetic and neuroscientific research on psychiatric syndromes based on the current diagnostic scheme, and develop a better-fitting multiaxial patient-oriented diagnostic model. DSM I, published in 1952, considered psychiatric illnesses as reactions or extremes of adaptations of the patient's personality to stressful environmental demands. Personality itself was determined by constitution and psychodynamic development. In 1980, this continuum model gave way to an atheoretical categorical diagnostic scheme (DSM III), based on research diagnostic criteria for obtaining 'pure cultures' of patients for biological research. Subsequent research using the 'pure cultures' suggests that psychiatric syndromes represent a phenotypic continuum determined by genes, childhood traumas, and recent stress, mitigated by childhood nurturance, education, and current social support. Specific gene x childhood abuse x recent stress interactions have been discovered, which may serve as a model of how interacting vulnerability genes may or may not result in a psychiatric syndrome, depending on the individual's developmental history and current stress. A continuum model is proposed, with genes interacting with early experiences of stress or nurturance resulting in brain states that may evince minor but persistent symptoms (neurosis) or maladaptive patterns of behavior (personality disorder). The addition of recent or current stress may precipitate a major psychiatric syndrome. While a severe genetic predisposition, such as a mutation, may be sufficient to cause a major syndrome, major psychiatric syndromes are best conceptualized as dysregulation of evolutionarily adaptive brain functions, such as anxiety and vigilance. A new multiaxial model of psychiatric diagnosis is proposed based on this model: axis I for phenomenological diagnoses that include major psychiatric syndromes (e.g. depressive syndrome, psychosis), neuroses, personality disorders, and isolated symptoms; axis

  20. Has the plant genetic variability any role in models of water transfer in the soil-plant-atmosphere continuum ?

    Science.gov (United States)

    Tardieu, F.

    2012-04-01

    Water transfer in the SPAC is essentially linked to environmental conditions such as evaporative demand or soil water potential, and physical parameters such as soil hydraulic capacity or hydraulic conductivity. Models used in soil science most often represent the plant via a small number of variables such as the water flux that crosses the base of the stem or the root length (or area) in each soil layer. Because there is an increasing demand for computer simulations of plants that would perform better under water deficit, models of SPA water transfer are needed that could better take into account the genetic variability of traits involved in plant hydraulics. (i) The water flux through the plant is essentially limited by stomata, which present a much higher resistance to water flow than those in the soil - root continuum. This can lead to unexpected relations between flux, leaf water potential and root hydraulic conductance. (ii) A large genetic variability exists within and between species for stomatal control, with important consequences for the minimum soil water potential that is accessible to the plant. In particular, isohydric plants that maintain leaf water potential in a narrow range via stomatal control have a higher (nearer to 0) 'wilting point' than anisohydric plants that allow leaf water potential to reach very low values. (iii) The conductivity for water transfer in roots and shoots is controlled by plants via aquaporins. It largely varies with time of the day, water and nutrient status, in particular via plant hormones and circadian rhythms. Models of SPA water transfer with a time definition of minutes to hour should probably not ignore this, while those with longer time steps are probably less sensitive to changes in plant hydraulic conductivity. (iv) The "dogma" that dense root systems provide tolerance to water deficit is profoundly affected when the balance "H2O gain vs C investment" is taken into account. At least three programmes of recurrent

  1. Inclusive quasielastic scattering of polarized electrons from polarized nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Amaro, J.E. [Massachusetts Inst. of Tech., Cambridge, MA (United States). Center for Theoretical Physics]|[Universidad de Granada (Spain). Dept. de Fisica Moderna]|[Massachusetts Inst. of Tech., Cambridge, MA (United States). Lab. for Nuclear Science]|[Massachusetts Inst. of Tech., Cambridge, MA (United States). Dept. of Physics; Caballero, J.A. [Consejo Superior de Investigaciones Cientificas (CSIC), Madrid (Spain). Inst. de Estructura de la Materia]|[Sevilla Univ. (Spain). Dept. de Fisica Atomica, Molecular y Nuclear; Donnelly, T.W. [Massachusetts Inst. of Tech., Cambridge, MA (United States). Center for Theoretical Physics]|[Massachusetts Inst. of Tech., Cambridge, MA (United States). Lab. for Nuclear Science]|[Massachusetts Inst. of Tech., Cambridge, MA (United States). Dept. of Physics; Moya de Guerra, E. [Consejo Superior de Investigaciones Cientificas (CSIC), Madrid (Spain). Inst. de Estructura de la Materia

    1996-12-23

    The inclusive quasielastic response functions that appear in the scattering of polarized electrons from polarized nuclei are computed and analyzed for several closed-shell-minus-one nuclei with special attention paid to {sup 39}K. Results are presented using two models for the ejected nucleon - when described by a distorted wave in the continuum shell model or by a plane wave in PWIA with on- and off-shell nucleons. Relativistic effects in kinematics and in the electromagnetic current have been incorporated throughout. Specifically, the recently obtained expansion of the electromagnetic current in powers only of the struck nucleon`s momentum is employed for the on-shell current and the effects of the first-order terms (spin-orbit and convection) are compared with the zeroth-order (charge and magnetization) contributions. The use of polarized inclusive quasielastic electron scattering as a tool for determining near-valence nucleon momentum distributions is discussed. (orig.).

  2. An a posteriori error analysis for a coupled continuum pipe-flow/Darcy model in Karst aquifers: anisotropic and isotropic discretizations

    OpenAIRE

    Houedanou, Koffi Wilfrid

    2017-01-01

    This paper presents an a posteriori error analysis for a coupled continuum pipe-flow/Darcy model in karst aquifers. We consider a unified anisotropic finite element discretization (i.e. elements with very large aspect ratio). Our analysis covers two-dimensional domains, conforming and nonconforming discretizations as well as different elements. Many examples of finite elements that are covered by analysis are presented. From the finite element solution, the error estimators are constructed an...

  3. Dust models compatible with Planck intensity and polarization data in translucent lines of sight

    Science.gov (United States)

    Guillet, V.; Fanciullo, L.; Verstraete, L.; Boulanger, F.; Jones, A. P.; Miville-Deschênes, M.-A.; Ysard, N.; Levrier, F.; Alves, M.

    2018-02-01

    Context. Current dust models are challenged by the dust properties inferred from the analysis of Planck observations in total and polarized emission. Aims: We propose new dust models compatible with polarized and unpolarized data in extinction and emission for translucent lines of sight (0.5 Methods: We amended the DustEM tool to model polarized extinction and emission. We fit the spectral dependence of the mean extinction, polarized extinction, total and polarized spectral energy distributions (SEDs) with polycyclic aromatic hydrocarbons, astrosilicate and amorphous carbon (a-C) grains. The astrosilicate population is aligned along the magnetic field lines, while the a-C population may be aligned or not. Results: With their current optical properties, oblate astrosilicate grains are not emissive enough to reproduce the emission to extinction polarization ratio P353/pV derived with Planck data. Successful models are those using prolate astrosilicate grains with an elongation a/b = 3 and an inclusion of 20% porosity. The spectral dependence of the polarized SED is steeper in our models than in the data. Models perform slightly better when a-C grains are aligned. A small (6%) volume inclusion of a-C in the astrosilicate matrix removes the need for porosity and perfect grain alignment, and improves the fit to the polarized SED. Conclusions: Dust models based on astrosilicates can be reconciled with data by adapting the shape of grains and adding inclusions of porosity or a-C in the astrosilicate matrix.

  4. On the physically based modeling of surface tension and moving contact lines with dynamic contact angles on the continuum scale

    NARCIS (Netherlands)

    Huber, M.; Keller, F.; Säckel, W.; Hirschler, M.; Kunz, P.; Hassanizadeh, S.M.; Nieken, U.

    2016-01-01

    The description of wetting phenomena is a challenging problem on every considerable length-scale. The behavior of interfaces and contact lines on the continuum scale is caused by intermolecular interactions like the Van der Waals forces. Therefore, to describe surface tension and the resulting

  5. APECS: A Model Organization for Bridging Past to Present and Developing a New Generation of Polar Scientists (Invited)

    Science.gov (United States)

    Timm, K.; Baeseman, J. L.; Membership, Association Of Polar Early Career Scientists

    2010-12-01

    activities—which are often not part of a traditional science graduate program of study. APECS is proof that a community driven effort can become a robust professional organization in just a few short years. Working with senior scientists and other mentors, such as non-science faculty members, educators, members of the media, administrative professionals, and policy makers, to build capacity of the membership and the organization is a major lesson from the establishment of APECS. Additional lessons include, nurturing your volunteers and new ideas. By building connections between senior scientists, and established polar science organizations to new scientists and professionals and fresh ideas APECS is creating a continuum by which polar science can effectively transition from observation, to synthesis, and towards response. In a period where the polar regions are experiencing rapid environmental change, having the tools and skills to work effectively cross-discipline and within, as well as outside the scientific community, will be essential to address the changes through science-based policy and a well-informed public. APECS can serve as a model for other early career initiatives in many disciplines and countries.

  6. Search for Physics Beyond the Standard Model via Positron Polarization Measurements with Polarized $ ^{17} $F.

    CERN Multimedia

    Versyck, S

    2002-01-01

    This proposal aims at measuring the longitudinal polarization of positrons emitted from polarized $^{17} $F~nuclei. The experiment will have a comparable sensitivity to possible right-handed current contributions in the weak interaction as the experiment which was recently carried out with $ ^{107} $In in Louvain-la-Neuve, but will provide a more stringent limit due to the fact that, since $ ^{17} $F decays through a superallowed $\\beta$ -transition, the recoil-order corrections to the allowed approximation can be taken into account very precisely. Furthermore, because $ ^{17} $F decays via a mixed Fermi/Gamow-Teller $\\beta$ -transition, this experiment will also yield a new limit on possible scalar contributions to the weak interaction. While the $^{17}$F beam is being developed, part of the beamtime was used to perform a similar experiment with $^{118}$ Sb. As this isotope decays via a pure GT $\\beta$ -transition, this experiment will yield new limits on the possible presence of both right-handed and tensor...

  7. Passing waves from atomistic to continuum

    Science.gov (United States)

    Chen, Xiang; Diaz, Adrian; Xiong, Liming; McDowell, David L.; Chen, Youping

    2018-02-01

    Progress in the development of coupled atomistic-continuum methods for simulations of critical dynamic material behavior has been hampered by a spurious wave reflection problem at the atomistic-continuum interface. This problem is mainly caused by the difference in material descriptions between the atomistic and continuum models, which results in a mismatch in phonon dispersion relations. In this work, we introduce a new method based on atomistic dynamics of lattice coupled with a concurrent atomistic-continuum method to enable a full phonon representation in the continuum description. This permits the passage of short-wavelength, high-frequency phonon waves from the atomistic to continuum regions. The benchmark examples presented in this work demonstrate that the new scheme enables the passage of all allowable phonons through the atomistic-continuum interface; it also preserves the wave coherency and energy conservation after phonons transport across multiple atomistic-continuum interfaces. This work is the first step towards developing a concurrent atomistic-continuum simulation tool for non-equilibrium phonon-mediated thermal transport in materials with microstructural complexity.

  8. Continuum-based models and concepts for the transport of nanoparticles in saturated porous media: A state-of-the-science review.

    Science.gov (United States)

    Babakhani, Peyman; Bridge, Jonathan; Doong, Ruey-An; Phenrat, Tanapon

    2017-08-01

    Environmental applications of nanoparticles (NP) increasingly result in widespread NP distribution within porous media where they are subject to various concurrent transport mechanisms including irreversible deposition, attachment/detachment (equilibrium or kinetic), agglomeration, physical straining, site-blocking, ripening, and size exclusion. Fundamental research in NP transport is typically conducted at small scale, and theoretical mechanistic modeling of particle transport in porous media faces challenges when considering the simultaneous effects of transport mechanisms. Continuum modeling approaches, in contrast, are scalable across various scales ranging from column experiments to aquifer. They have also been able to successfully describe the simultaneous occurrence of various transport mechanisms of NP in porous media such as blocking/straining or agglomeration/deposition/detachment. However, the diversity of model equations developed by different authors and the lack of effective approaches for their validation present obstacles to the successful robust application of these models for describing or predicting NP transport phenomena. This review aims to describe consistently all the important NP transport mechanisms along with their representative mathematical continuum models as found in the current scientific literature. Detailed characterizations of each transport phenomenon in regards to their manifestation in the column experiment outcomes, i.e., breakthrough curve (BTC) and residual concentration profile (RCP), are presented to facilitate future interpretations of BTCs and RCPs. The review highlights two NP transport mechanisms, agglomeration and size exclusion, which are potentially of great importance in controlling the fate and transport of NP in the subsurface media yet have been widely neglected in many existing modeling studies. A critical limitation of the continuum modeling approach is the number of parameters used upon application to larger

  9. Are mixed explicit/implicit solvation models reliable for studying phosphate hydrolysis? A comparative study of continuum, explicit and mixed solvation models.

    Energy Technology Data Exchange (ETDEWEB)

    Kamerlin, Shina C. L.; Haranczyk, Maciej; Warshel, Arieh

    2009-05-01

    Phosphate hydrolysis is ubiquitous in biology. However, despite intensive research on this class of reactions, the precise nature of the reaction mechanism remains controversial. In this work, we have examined the hydrolysis of three homologous phosphate diesters. The solvation free energy was simulated by means of either an implicit solvation model (COSMO), hybrid quantum mechanical / molecular mechanical free energy perturbation (QM/MM-FEP) or a mixed solvation model in which N water molecules were explicitly included in the ab initio description of the reacting system (where N=1-3), with the remainder of the solvent being implicitly modelled as a continuum. Here, both COSMO and QM/MM-FEP reproduce Delta Gobs within an error of about 2kcal/mol. However, we demonstrate that in order to obtain any form of reliable results from a mixed model, it is essential to carefully select the explicit water molecules from short QM/MM runs that act as a model for the true infinite system. Additionally, the mixed models tend to be increasingly inaccurate the more explicit water molecules are placed into the system. Thus, our analysis indicates that this approach provides an unreliable way for modelling phosphate hydrolysis in solution.

  10. Polarized Light from the Sun: Unification of the Corona and Analysis of the Second Solar Spectrum — Further Implications of a Liquid Metallic Hydrogen Solar Model

    Directory of Open Access Journals (Sweden)

    Robitaille P.-M.

    2015-07-01

    Full Text Available In order to account for the slight polarization of the continuum towards the limb, propo- nents of the Standard Solar Model (SSM must have recourse to electron or hydrogen- based scattering of light, as no other mechanism is possible in a gaseous Sun. Con- versely, acceptance that the solar body is comprised of condensed matter opens up new avenues in the analysis of this problem, even if the photospheric surface itself is viewed as incapable of emitting polarized light. Thus, the increased disk polarization, from the center to the limb, can be explained by invoking the scattering of light by the at- mosphere above the photosphere. The former is reminiscent of mechanisms which are known to account for the polarization of sunlight in the atmosphere of the Earth. Within the context of the Liquid Metallic Hydrogen Solar Model (LMHSM, molecules and small particles, not electrons or hydrogen atoms as required by the SSM, would primarily act as scattering agents in regions also partially comprised of condensed hy- drogen structures (CHS. In addition, the well-known polarization which characterizes the K-corona would become a sign of emission polarization from an anisotropic source, without the need for scattering. In the LMHSM, the K, F, and T- coronas can be viewed as emissive and reflective manifestations of a single corona l entity adopting a radially anisotropic structure, while slowly cooling with altitude above the photosphere. The presence of “dust particles”, advanced by proponents of the SSM, would no longer be required to explain the F and T-corona, as a single cooling structure would account for the properties of the K, F, and T coronas. At the same time, the polarized “Second Solar Spectrum”, characterized by the dominance of certain elemental or ionic spectral lines and an abundance of molecular lines, could be explained in the LMHSM, by first invoking interface polarization and coordination of these species with condensed matter

  11. Subsurface Flow Modeling in Single and Dual Continuum Anisotropic Porous Media using the Multipoint Flux Approximation Method

    KAUST Repository

    Negara, Ardiansyah

    2015-05-01

    Anisotropy of hydraulic properties of the subsurface geologic formations is an essential feature that has been established as a consequence of the different geologic processes that undergo during the longer geologic time scale. With respect to subsurface reservoirs, in many cases, anisotropy plays significant role in dictating the direction of flow that becomes no longer dependent only on driving forces like the pressure gradient and gravity but also on the principal directions of anisotropy. Therefore, there has been a great deal of motivation to consider anisotropy into the subsurface flow and transport models. In this dissertation, we present subsurface flow modeling in single and dual continuum anisotropic porous media, which include the single-phase groundwater flow coupled with the solute transport in anisotropic porous media, the two-phase flow with gravity effect in anisotropic porous media, and the natural gas flow in anisotropic shale reservoirs. We have employed the multipoint flux approximation (MPFA) method to handle anisotropy in the flow model. The MPFA method is designed to provide correct discretization of the flow equations for general orientation of the principal directions of the permeability tensor. The implementation of MPFA method is combined with the experimenting pressure field approach, a newly developed technique that enables the solution of the global problem breaks down into the solution of multitude of local problems. The numerical results of the study demonstrate the significant effects of anisotropy of the subsurface formations. For the single-phase groundwater flow coupled with the solute transport modeling in anisotropic porous media, the results shows the strong impact of anisotropy on the pressure field and the migration of the solute concentration. For the two-phase flow modeling with gravity effect in anisotropic porous media, it is observed that the buoyancy-driven flow, which emerges due to the density differences between the

  12. Modeling the Kelvin polarization force actuation of Micro- and Nanomechanical systems

    DEFF Research Database (Denmark)

    Schmid, Silvan; Hierold, C.; Boisen, Anja

    2010-01-01

    Polarization forces have become of high interest in micro- and nanomechanical systems. In this paper, an analytical model for a transduction scheme based on the Kelvin polarization force is presented. A dielectric beam is actuated by placing it over the gap of two coplanar electrodes. Finite...

  13. Λ polarization in an exact fluid dynamical model for heavy-ion collisions

    Directory of Open Access Journals (Sweden)

    Xie Yilong

    2016-01-01

    Full Text Available Λ polarization is calculated in an exact analytical, rotating model based on parameters from a high resolution (3+1D Particle-in-Cell Relativistic hydrodynamics calculation. The polarization is attributed to effects from thermal vorticity and for the first time the effects of the radial and axial acceleration are also studied separately.

  14. A Dual-Continuum Model for Brine Migration in Salt Associated with Heat-Generating Nuclear Waste: Fully Coupled Thermal-Hydro-Mechanical Analysis

    Science.gov (United States)

    Hu, M.; Rutqvist, J.

    2017-12-01

    The disposal of heat-generating nuclear waste in salt host rock establishes a thermal gradient around the waste package that may cause brine inclusions in the salt grains to migrate toward the waste package. In this study, a dual-continuum model is developed to analyze such a phenomenon. This model is based on the Finite Volume Method (FVM), and it is fully thermal-hydro-mechanical (THM) coupled. For fluid flow, the dual-continuum model considers flow in the interconnected pore space and also in the salt grains. The mass balance of salt and water in these two continua is separately established, and their coupling is represented by flux associated with brine migration. Together with energy balance, such a system produces a coupled TH model with strongly nonlinear features. For mechanical analysis, a new formulation is developed based on the Voronoi tessellated mesh. By relating each cell to several connected triangles, first-order approximation is constructed. The coupling between thermal and mechanical fields is only considered in terms of thermal expansion. And the coupling between the hydraulic and mechanical fields in terms of pore-volume effects is consistent with Biot's theory. Therefore, a fully coupled THM model is developed. Several demonstration examples are provided to verify the model. Last the new model is applied to analyze coupled THM behavior and the results are compared with experimental data.

  15. Learning-Walk Continuum

    Science.gov (United States)

    Finch, Peter Dallas

    2010-01-01

    The continuum of learning walks can be viewed in stages with various dimensions including frequency, participants, purpose and the presence of an instructional framework within which the instructional practice is viewed. Steps in the continuum progress as the learning walks are conducted more frequently. One way to ensure this is accomplished is…

  16. Multicomponent Adsorption Model for Polar and Associating Mixtures

    DEFF Research Database (Denmark)

    Nesterov, Igor; Shapiro, Alexander; Kontogeorgis, Georgios M.

    2015-01-01

    The multicomponent potential adsorption theory (MPTA) is revisited in this work for polar and associating systems. MPTA is used in combination with the CPA equation of state. Previous Studies have shown that both MPTA and other theories present difficulties for complex systems. Some of these prob...

  17. Theoretical model of a polarization diffractive elements for the light beams conversion holographic formation in PDLCs

    Science.gov (United States)

    Sharangovich, Sergey N.; Semkin, Artem O.

    2017-12-01

    In this work a theoretical model of the holographic formation of the polarization diffractive optical elements for the transformation of Gaussian light beams into Bessel-like ones in polymer-dispersed liquid crystals (PDLC) is developed. The model is based on solving the equations of photo-induced Fredericks transition processes for polarization diffractive elements formation by orthogonally polarized light beams with inhomogeneous amplitude and phase profiles. The results of numerical simulation of the material's dielectric tensor changing due to the structure's formation process are presented for various recording beams' polarization states. Based on the results of numerical simulation, the ability to form the diffractive optical elements for light beams transformation by the polarization holography methods is shown.

  18. South polar permanent CO2 ice cap presentation in the Global Mars Multiscale Model

    Science.gov (United States)

    Fazel-Rastgar, Farahnaz

    2018-02-01

    The atmospheric influence caused by the Martian permanent south CO2 ice cap is examined to improve the Global Mars Multiscale Model (GM3) to see if it can significantly improve the representation of south polar meteorology. However, the seasonal carbon dioxide ice in the polar regions is presented in the surface ice simulation by the Global Mars Multiscale Model but the model does not produce a permanent south CO2 ice cap, and the physics code must modify to capture the realistic physical such as ice process detail; probably makes a bias in terms of total CO2 ice and meteorological processes in the model aside from ice formation. The permanent south CO2 ice cap in the model can significantly improve the representation of south polar meteorology for example in predicted surface temperatures, surface pressures, horizontal and zonal winds over the south cap and possible initiation of dust storms at south polar region during the southern summer period.

  19. Modelling Near-IR polarization to constrain stellar wind bow shocks

    Science.gov (United States)

    Neilson, Hilding R.; Ignace, R.; Shrestha, M.; Hoffman, J. L.; Mackey, J.

    2013-06-01

    Bow shocks formed from stellar winds are common phenomena observed about massive and intermediate-mass stars such as zeta Oph, Betelgeuse and delta Cep. These bow shocks provide information about the motion of the star, the stellar wind properties and the density of the ISM. Because bow shocks are asymmetric structures, they also present polarized light that is a function of their shape and density. We present a preliminary work modeling dust polarization from a Wilkin (1996) analytic bow shock model and explore how the polarization changes as a function of stellar wind properties.

  20. Fractional model for heat conduction in polar bear hairs

    Directory of Open Access Journals (Sweden)

    Wang Qing-Li

    2012-01-01

    Full Text Available Time-fractional differential equations can accurately describe heat conduction in fractal media, such as wool fibers, goose down and polar bear hair. The fractional complex transform is used to convert time-fractional heat conduction equations with the modified Riemann-Liouville derivative into ordinary differential equations, and exact solutions can be easily obtained. The solution process is straightforward and concise.

  1. A Multi-Scale Method for Dynamics Simulation in Continuum Solvent Models I: Finite-Difference Algorithm for Navier-Stokes Equation.

    Science.gov (United States)

    Xiao, Li; Cai, Qin; Li, Zhilin; Zhao, Hongkai; Luo, Ray

    2014-11-25

    A multi-scale framework is proposed for more realistic molecular dynamics simulations in continuum solvent models by coupling a molecular mechanics treatment of solute with a fluid mechanics treatment of solvent. This article reports our initial efforts to formulate the physical concepts necessary for coupling the two mechanics and develop a 3D numerical algorithm to simulate the solvent fluid via the Navier-Stokes equation. The numerical algorithm was validated with multiple test cases. The validation shows that the algorithm is effective and stable, with observed accuracy consistent with our design.

  2. The economic role of the Emergency Department in the health care continuum: applying Michael Porter's five forces model to Emergency Medicine.

    Science.gov (United States)

    Pines, Jesse M

    2006-05-01

    Emergency Medicine plays a vital role in the health care continuum in the United States. Michael Porters' five forces model of industry analysis provides an insight into the economics of emergency care by showing how the forces of supplier power, buyer power, threat of substitution, barriers to entry, and internal rivalry affect Emergency Medicine. Illustrating these relationships provides a view into the complexities of the emergency care industry and offers opportunities for Emergency Departments, groups of physicians, and the individual emergency physician to maximize the relationship with other market players.

  3. Notes on continuum mechanics

    CERN Document Server

    Chaves, Eduardo W V

    2013-01-01

    This publication is aimed at students, teachers, and researchers of Continuum Mechanics and focused extensively on stating and developing Initial Boundary Value equations used to solve physical problems. With respect to notation, the tensorial, indicial and Voigt notations have been used indiscriminately.   The book is divided into twelve chapters with the following topics: Tensors, Continuum Kinematics, Stress, The Objectivity of Tensors, The Fundamental Equations of Continuum Mechanics, An Introduction to Constitutive Equations, Linear Elasticity, Hyperelasticity, Plasticity (small and large deformations), Thermoelasticity (small and large deformations), Damage Mechanics (small and large deformations), and An Introduction to Fluids. Moreover, the text is supplemented with over 280 figures, over 100 solved problems, and 130 references.

  4. The impact of aerosols on polarized sky radiance: model development, validation, and applications

    Directory of Open Access Journals (Sweden)

    C. Emde

    2010-01-01

    Full Text Available Although solar radiation initially is unpolarized when entering the Earth's atmosphere, it is polarized by scattering processes with molecules, water droplets, ice crystals, and aerosols. Hence, measurements of the polarization state of radiation can be used to improve remote sensing of aerosols and clouds. The analysis of polarized radiance measurements requires an accurate radiative transfer model. To this end, a new efficient and flexible three-dimensional Monte Carlo code to compute polarized radiances has been developed and implemented into MYSTIC (Monte Carlo code for the phYSically correct Tracing of photons In Cloudy atmospheres. The code has been extensively validated against published benchmark results. The polarized downwelling radiation field is calculated for various aerosol types showing the high sensitivity of polarized ultraviolet radiances to the particle microphysics. Model simulations are compared to ground based measurements and found to be qualitatively in good agreement. Quantitative differences can be attributed to the assumed aerosol models based on the OPAC aerosol database, which does not include exactly the types of aerosols that have been observed. This comparison to the measurements shows that there is a high potential to retrieve information about the aerosol type from polarized radiance measurements.

  5. The KdV-Burgers equation in a new continuum model with consideration of driverʼs forecast effect and numerical tests

    Science.gov (United States)

    Ge, Hong-Xia; Lai, Ling-Ling; Zheng, Peng-Jun; Cheng, Rong-Jun

    2013-12-01

    A new continuum traffic flow model is proposed based on an improved car-following model, which takes the driver's forecast effect into consideration. The backward travel problem is overcome by our model and the neutral stability condition of the new model is obtained through the linear stability analysis. Nonlinear analysis shows clearly that the density fluctuation in traffic flow leads to a variety of density waves and the Korteweg-de Vries-Burgers (KdV-Burgers) equation is derived to describe the traffic flow near the neutral stability line. The corresponding solution for traffic density wave is also derived. Finally, the numerical results show that our model can not only reproduce the evolution of small perturbation, but also improve the stability of traffic flow.

  6. Computational Continuum Mechanics

    CERN Document Server

    Shabana, Ahmed A

    2011-01-01

    This text presents the theory of continuum mechanics using computational methods. Ideal for students and researchers, the second edition features a new chapter on computational geometry and finite element analysis.

  7. Modelling dust polarization observations of molecular clouds through MHD simulations

    Science.gov (United States)

    King, Patrick K.; Fissel, Laura M.; Chen, Che-Yu; Li, Zhi-Yun

    2018-03-01

    The BLASTPol observations of Vela C have provided the most detailed characterization of the polarization fraction p and dispersion in polarization angles S for a molecular cloud. We compare the observed distributions of p and S with those obtained in synthetic observations of simulations of molecular clouds, assuming homogeneous grain alignment. We find that the orientation of the mean magnetic field relative to the observer has a significant effect on the p and S distributions. These distributions for Vela C are most consistent with synthetic observations where the mean magnetic field is close to the line of sight. Our results point to apparent magnetic disorder in the Vela C molecular cloud, although it can be due to either an inclination effect (i.e. observing close to the mean field direction) or significant field tangling from strong turbulence/low magnetization. The joint correlations of p with column density and of S with column density for the synthetic observations generally agree poorly with the Vela C joint correlations, suggesting that understanding these correlations requires a more sophisticated treatment of grain alignment physics.

  8. Modeling charge polarization voltage for large lithium-ion batteries in electric vehicles

    Directory of Open Access Journals (Sweden)

    Yan Jiang

    2013-06-01

    Full Text Available Purpose: Polarization voltage of the lithium-ion battery is an important parameter that has direct influence on battery performance. The paper aims to analyze the impedance characteristics of the lithium-ion battery based on EIS data. Design/methodology/approach: The effects of currents, initial SOC of the battery on charge polarization voltage are investigated, which is approximately linear function of charge current. The change of charge polarization voltage is also analyzed with the gradient analytical method in the SOC domain. The charge polarization model with two RC networks is presented, and parts of model parameters like Ohmic resistance and charge transfer impedance are estimated by both EIS method and battery constant current testing method. Findings: This paper reveals that the Ohmic resistance accounts for much contribution to battery total polarization compared to charge transfer impedance. Practical implications: Experimental results demonstrate the efficacy of the model with the proposed identification method, which provides the foundation for battery charging optimization. Originality/value: The paper analyzed the impedance characteristics of the lithium-ion battery based on EIS data, presented a charge polarization model with two RC networks, and estimated parameters like Ohmic resistance and charge transfer impedance.

  9. Hydrological excitation of polar motion by different variables from the GLDAS models

    Science.gov (United States)

    Winska, Malgorzata; Nastula, Jolanta; Salstein, David

    2017-12-01

    Continental hydrological loading by land water, snow and ice is a process that is important for the full understanding of the excitation of polar motion. In this study, we compute different estimations of hydrological excitation functions of polar motion (as hydrological angular momentum, HAM) using various variables from the Global Land Data Assimilation System (GLDAS) models of the land-based hydrosphere. The main aim of this study is to show the influence of variables from different hydrological processes including evapotranspiration, runoff, snowmelt and soil moisture, on polar motion excitations at annual and short-term timescales. Hydrological excitation functions of polar motion are determined using selected variables of these GLDAS realizations. Furthermore, we use time-variable gravity field solutions from the Gravity Recovery and Climate Experiment (GRACE) to determine the hydrological mass effects on polar motion excitation. We first conduct an intercomparison of the maps of variations of regional hydrological excitation functions, timing and phase diagrams of different regional and global HAMs. Next, we estimate the hydrological signal in geodetically observed polar motion excitation as a residual by subtracting the contributions of atmospheric angular momentum and oceanic angular momentum. Finally, the hydrological excitations are compared with those hydrological signals determined from residuals of the observed polar motion excitation series. The results will help us understand the relative importance of polar motion excitation within the individual hydrological processes, based on hydrological modeling. This method will allow us to estimate how well the polar motion excitation budget in the seasonal and inter-annual spectral ranges can be closed.

  10. Predicting 21st-century polar bear habitat distribution from global climate models

    Science.gov (United States)

    Durner, G.M.; Douglas, D.C.; Nielson, R.M.; Amstrup, Steven C.; McDonald, T.L.; Stirling, I.; Mauritzen, Mette; Born, E.W.; Wiig, O.; Deweaver, E.; Serreze, Mark C.; Belikov, Stanislav; Holland, M.M.; Maslanik, J.; Aars, Jon; Bailey, D.A.; Derocher, A.E.

    2009-01-01

    Projections of polar bear (Ursus maritimus) sea ice habitat distribution in the polar basin during the 21st century were developed to understand the consequences of anticipated sea ice reductions on polar bear populations. We used location data from satellitecollared polar bears and environmental data (e.g., bathymetry, distance to coastlines, and sea ice) collected from 1985 to 1995 to build resource selection functions (RSFs). RSFs described habitats that polar bears preferred in summer, autumn, winter, and spring. When applied to independent data from 1996 to 2006, the RSFs consistently identified habitats most frequently used by polar bears. We applied the RSFs to monthly maps of 21st-century sea ice concentration projected by 10 general circulation models (GCMs) used in the Intergovernmental Panel of Climate Change Fourth Assessment Report, under the A1B greenhouse gas forcing scenario. Despite variation in their projections, all GCMs indicated habitat losses in the polar basin during the 21st century. Losses in the highest-valued RSF habitat (optimal habitat) were greatest in the southern seas of the polar basin, especially the Chukchi and Barents seas, and least along the Arctic Ocean shores of Banks Island to northern Greenland. Mean loss of optimal polar bear habitat was greatest during summer; from an observed 1.0 million km2 in 1985-1995 (baseline) to a projected multi-model mean of 0.32 million km2 in 2090-2099 (-68% change). Projected winter losses of polar bear habitat were less: from 1.7 million km2 in 1985-1995 to 1.4 million km2 in 2090-2099 (-17% change). Habitat losses based on GCM multi-model means may be conservative; simulated rates of habitat loss during 1985-2006 from many GCMs were less than the actual observed rates of loss. Although a reduction in the total amount of optimal habitat will likely reduce polar bear populations, exact relationships between habitat losses and population demographics remain unknown. Density and energetic

  11. Modeling Polarized Emission from Black Hole Jets: Application to M87 Core Jet

    Directory of Open Access Journals (Sweden)

    Monika Mościbrodzka

    2017-09-01

    Full Text Available We combine three-dimensional general-relativistic numerical models of hot, magnetized Advection Dominated Accretion Flows around a supermassive black hole and the corresponding outflows from them with a general relativistic polarized radiative transfer model to produce synthetic radio images and spectra of jet outflows. We apply the model to the underluminous core of M87 galaxy. The assumptions and results of the calculations are discussed in context of millimeter observations of the M87 jet launching zone. Our ab initio polarized emission and rotation measure models allow us to address the constrains on the mass accretion rate onto the M87 supermassive black hole.

  12. Perturbations of gyrosynchrotron emission polarization from solar flares by sausage modes: forward modeling

    Science.gov (United States)

    Reznikova, V. E.; Van Doorsselaere, T.; Kuznetsov, A. A.

    2015-03-01

    We examined the polarization of the microwave flaring emission and its modulation by the fast sausage standing wave using a linear 3D magnetohydrodynamic model of a plasma cylinder. We analyzed the effects of the line-of-sight angle on the perturbations of the gyrosynchrotron intensity for two models: a base model with strong Razin suppression and a low-density model in which the Razin effect was negligible. The circular polarization (Stokes V) oscillation is in phase with the intensity oscillation, and the polarization degree (Stokes V/I) oscillates in phase with the magnetic field at the examined frequencies in both models. The two quantities experience a periodical reversal of their signs with a period equal to half of the sausage wave period when seen at a 90° viewing angle, in this case, their modulation depth reaches 100%.

  13. Gradient-based optimization with B-splines on sparse grids for solving forward-dynamics simulations of three-dimensional, continuum-mechanical musculoskeletal system models.

    Science.gov (United States)

    Valentin, J; Sprenger, M; Pflüger, D; Röhrle, O

    2018-02-10

    Investigating the interplay between muscular activity and motion is the basis to improve our understanding of healthy or diseased musculoskeletal systems. To be able to analyze the musculoskeletal systems, computational models are employed. Albeit some severe modeling assumptions, almost all existing musculoskeletal system simulations appeal to multi-body simulation frameworks. Although continuum-mechanical musculoskeletal system models can compensate for some of these limitations, they are essentially not considered due to their computational complexity and cost. The proposed framework is the first activation-driven musculoskeletal system model, in which the exerted skeletal muscle forces are computed using three-dimensional, continuum-mechanical skeletal muscle models and in which muscle activations are determined based on a constraint optimization problem. Numerical feasibility is achieved by computing sparse grid surrogates with hierarchical B-splines, and adaptive sparse grid refinement further reduces the computational effort. The choice of B-splines allows the use of all existing gradient-based optimization techniques without further numerical approximation. This paper demonstrates that the resulting surrogates have low relative errors (less than 0.76%) and can be used within forward simulations that are subject to constraint optimization. To demonstrate this, we set up several different test scenarios in which an upper limb model consisting of the elbow joint, the biceps and triceps brachii and an external load is subjected to different optimization criteria. Even though this novel method has only been demonstrated for a two-muscle system, it can easily be extended to musculoskeletal systems with three or more muscles. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

  14. IPRT polarized radiative transfer model intercomparison project - Three-dimensional test cases (phase B)

    Science.gov (United States)

    Emde, Claudia; Barlakas, Vasileios; Cornet, Céline; Evans, Frank; Wang, Zhen; Labonotte, Laurent C.; Macke, Andreas; Mayer, Bernhard; Wendisch, Manfred

    2018-04-01

    Initially unpolarized solar radiation becomes polarized by scattering in the Earth's atmosphere. In particular molecular scattering (Rayleigh scattering) polarizes electromagnetic radiation, but also scattering of radiation at aerosols, cloud droplets (Mie scattering) and ice crystals polarizes. Each atmospheric constituent produces a characteristic polarization signal, thus spectro-polarimetric measurements are frequently employed for remote sensing of aerosol and cloud properties. Retrieval algorithms require efficient radiative transfer models. Usually, these apply the plane-parallel approximation (PPA), assuming that the atmosphere consists of horizontally homogeneous layers. This allows to solve the vector radiative transfer equation (VRTE) efficiently. For remote sensing applications, the radiance is considered constant over the instantaneous field-of-view of the instrument and each sensor element is treated independently in plane-parallel approximation, neglecting horizontal radiation transport between adjacent pixels (Independent Pixel Approximation, IPA). In order to estimate the errors due to the IPA approximation, three-dimensional (3D) vector radiative transfer models are required. So far, only a few such models exist. Therefore, the International Polarized Radiative Transfer (IPRT) working group of the International Radiation Commission (IRC) has initiated a model intercomparison project in order to provide benchmark results for polarized radiative transfer. The group has already performed an intercomparison for one-dimensional (1D) multi-layer test cases [phase A, 1]. This paper presents the continuation of the intercomparison project (phase B) for 2D and 3D test cases: a step cloud, a cubic cloud, and a more realistic scenario including a 3D cloud field generated by a Large Eddy Simulation (LES) model and typical background aerosols. The commonly established benchmark results for 3D polarized radiative transfer are available at the IPRT website (http

  15. A Fuzzy Computing Model for Identifying Polarity of Chinese Sentiment Words

    Directory of Open Access Journals (Sweden)

    Bingkun Wang

    2015-01-01

    Full Text Available With the spurt of online user-generated contents on web, sentiment analysis has become a very active research issue in data mining and natural language processing. As the most important indicator of sentiment, sentiment words which convey positive and negative polarity are quite instrumental for sentiment analysis. However, most of the existing methods for identifying polarity of sentiment words only consider the positive and negative polarity by the Cantor set, and no attention is paid to the fuzziness of the polarity intensity of sentiment words. In order to improve the performance, we propose a fuzzy computing model to identify the polarity of Chinese sentiment words in this paper. There are three major contributions in this paper. Firstly, we propose a method to compute polarity intensity of sentiment morphemes and sentiment words. Secondly, we construct a fuzzy sentiment classifier and propose two different methods to compute the parameter of the fuzzy classifier. Thirdly, we conduct extensive experiments on four sentiment words datasets and three review datasets, and the experimental results indicate that our model performs better than the state-of-the-art methods.

  16. A Fuzzy Computing Model for Identifying Polarity of Chinese Sentiment Words.

    Science.gov (United States)

    Wang, Bingkun; Huang, Yongfeng; Wu, Xian; Li, Xing

    2015-01-01

    With the spurt of online user-generated contents on web, sentiment analysis has become a very active research issue in data mining and natural language processing. As the most important indicator of sentiment, sentiment words which convey positive and negative polarity are quite instrumental for sentiment analysis. However, most of the existing methods for identifying polarity of sentiment words only consider the positive and negative polarity by the Cantor set, and no attention is paid to the fuzziness of the polarity intensity of sentiment words. In order to improve the performance, we propose a fuzzy computing model to identify the polarity of Chinese sentiment words in this paper. There are three major contributions in this paper. Firstly, we propose a method to compute polarity intensity of sentiment morphemes and sentiment words. Secondly, we construct a fuzzy sentiment classifier and propose two different methods to compute the parameter of the fuzzy classifier. Thirdly, we conduct extensive experiments on four sentiment words datasets and three review datasets, and the experimental results indicate that our model performs better than the state-of-the-art methods.

  17. The polarized structure function of the nucleons with a non-extensive statistical quark model

    Energy Technology Data Exchange (ETDEWEB)

    Trevisan, Luis A. [Departamento de Matematica e Estatistica, Universidade Estadual de Ponta Grossa, 84010-790, Ponta Grossa, PR (Brazil); Mirez, Carlos [Instituto de Ciencia, Engenharia e Tecnologia - ICET, Universidade Federal dos Vales do Jequitinhonha e Mucuri - UFVJM, Campus do Mucuri, Rua do Cruzeiro 01, Jardim Sao Paulo, 39803-371, Teofilo Otoni, Minas Gerais (Brazil)

    2013-05-06

    We studied an application of nonextensive thermodynamics to describe the polarized structure function of nucleon, in a model where the usual Fermi-Dirac and Bose-Einstein energy distribution, often used in the statistical models, were replaced by the equivalent functions of the q-statistical. The parameters of the model are given by an effective temperature T, the q parameter (from Tsallis statistics), and the chemical potentials given by the corresponding up (u) and down (d) quark normalization in the nucleon and by {Delta}u and {Delta}d of the polarized functions.

  18. Formation of complex wedding-cake morphologies during homoepitaxial film growth of Ag on Ag(111): atomistic, step-dynamics, and continuum modeling

    Science.gov (United States)

    Li, Maozhi; Han, Yong; Thiel, P. A.; Evans, J. W.

    2009-02-01

    An atomistic lattice-gas model is developed which successfully describes all key features of the complex mounded morphologies which develop during deposition of Ag films on Ag(111) surfaces. We focus on this homoepitaxial thin film growth process below 200 K. The unstable multilayer growth mode derives from the presence of a large Ehrlich-Schwoebel step-edge barrier, for which we characterize both the step-orientation dependence and the magnitude. Step-dynamics modeling is applied to further characterize and elucidate the evolution of the vertical profiles of these wedding-cake-like mounds. Suitable coarse-graining of these step-dynamics equations leads to instructive continuum formulations for mound evolution.

  19. Formation of complex wedding-cake morphologies during homoepitaxial film growth of Ag on Ag(111): atomistic, step-dynamics, and continuum modeling

    Energy Technology Data Exchange (ETDEWEB)

    Li Maozhi [Department of Physics, Renmin University of China, Beijing 100872 (China); Han, Yong [Institute of Physical Research and Technology, Iowa State University, Ames, IA 50011 (United States); Thiel, P A [Departments of Chemistry and Materials Science and Engineering and Ames Laboratory-USDOE, Iowa State University, Ames, IA 50011 (United States); Evans, J W [Department of Mathematics and Ames Laboratory-USDOE, Iowa State University, Ames, IA 50010 (United States)

    2009-02-25

    An atomistic lattice-gas model is developed which successfully describes all key features of the complex mounded morphologies which develop during deposition of Ag films on Ag(111) surfaces. We focus on this homoepitaxial thin film growth process below 200 K. The unstable multilayer growth mode derives from the presence of a large Ehrlich-Schwoebel step-edge barrier, for which we characterize both the step-orientation dependence and the magnitude. Step-dynamics modeling is applied to further characterize and elucidate the evolution of the vertical profiles of these wedding-cake-like mounds. Suitable coarse-graining of these step-dynamics equations leads to instructive continuum formulations for mound evolution.

  20. Formation of complex wedding-cake morphologies during homoepitaxial film growth of Ag on Ag(111): atomistic, step-dynamics, and continuum modeling

    International Nuclear Information System (INIS)

    Li Maozhi; Han, Yong; Thiel, P A; Evans, J W

    2009-01-01

    An atomistic lattice-gas model is developed which successfully describes all key features of the complex mounded morphologies which develop during deposition of Ag films on Ag(111) surfaces. We focus on this homoepitaxial thin film growth process below 200 K. The unstable multilayer growth mode derives from the presence of a large Ehrlich-Schwoebel step-edge barrier, for which we characterize both the step-orientation dependence and the magnitude. Step-dynamics modeling is applied to further characterize and elucidate the evolution of the vertical profiles of these wedding-cake-like mounds. Suitable coarse-graining of these step-dynamics equations leads to instructive continuum formulations for mound evolution.

  1. Geometric continuum mechanics and induced beam theories

    CERN Document Server

    R Eugster, Simon

    2015-01-01

    This research monograph discusses novel approaches to geometric continuum mechanics and introduces beams as constraint continuous bodies. In the coordinate free and metric independent geometric formulation of continuum mechanics as well as for beam theories, the principle of virtual work serves as the fundamental principle of mechanics. Based on the perception of analytical mechanics that forces of a mechanical system are defined as dual quantities to the kinematical description, the virtual work approach is a systematic way to treat arbitrary mechanical systems. Whereas this methodology is very convenient to formulate induced beam theories, it is essential in geometric continuum mechanics when the assumptions on the physical space are relaxed and the space is modeled as a smooth manifold. The book addresses researcher and graduate students in engineering and mathematics interested in recent developments of a geometric formulation of continuum mechanics and a hierarchical development of induced beam theories.

  2. Comparative evaluation of NeQuick and IRI models over Polar Regions

    Science.gov (United States)

    Pietrella, Marco; Nava, Bruno; Pezzopane, Michael; Migoya-Orue, Yenca; Scotto, Carlo

    2016-04-01

    In the framework of the AUSPICIO (AUtomatic Scaling of Polar Ionograms and Cooperative Ionospheric Observations) project, the ionograms recorded at Hobart (middle latitude), Macquarie Island, Livingstone Island and Comandante Ferraz (middle-high latitude) and those recorded at the ionospheric observatories of Casey, Mawson, Davis, and Scott Base (Antarctic Polar Circle), have been taken into account to study the capability of NeQuick-2 and IRI-2012 models in predicting the behavior of the ionosphere, mainly in the polar region. In particular, the applicability of NeQuick-2 and IRI-2012 models was evaluated under two different modes: a) as assimilative models ingesting the foF2 and hmF2 measurements obtained from the electron density profiles provided by the Adaptive Ionospheric Profiler (AIP); b) as climatological models taking as input F10.7 solar activity index. The results obtained from the large number of comparisons made for each ionospheric observatory when NeQuick-2 and IRI-2012 models work according to the two modes above mentioned, reveal that the best description of the ionosphere electron density at the polar regions is provided when peak parameter data are ingested in near-real-time into NeQuick-2 and IRI-2012 models which, indeed, are not always able to represent efficiently the behavior of the ionosphere over the polar regions when operating in long term prediction mode. The statistical analysis results expressed in terms of root mean square errors (r.m.s.e.) for each ionospheric observatory show that, outside the Antarctic Polar Circle (APC), NeQuick-2 performance is better than the IRI-2012 performance; on the contrary, inside the APC IRI-2012 model performs better than NeQuick-2.

  3. Polar clouds and radiation in satellite observations, reanalyses, and climate models

    Science.gov (United States)

    Lenaerts, Jan T. M.; Van Tricht, Kristof; Lhermitte, Stef; L'Ecuyer, Tristan S.

    2017-04-01

    Clouds play a pivotal role in the surface energy budget of the polar regions. Here we use two largely independent data sets of cloud and surface downwelling radiation observations derived by satellite remote sensing (2007-2010) to evaluate simulated clouds and radiation over both polar ice sheets and oceans in state-of-the-art atmospheric reanalyses (ERA-Interim and Modern Era Retrospective-Analysis for Research and Applications-2) and the Coupled Model Intercomparison Project Phase 5 (CMIP5) climate model ensemble. First, we show that, compared to Clouds and the Earth's Radiant Energy System-Energy Balanced and Filled, CloudSat-CALIPSO better represents cloud liquid and ice water path over high latitudes, owing to its recent explicit determination of cloud phase that will be part of its new R05 release. The reanalyses and climate models disagree widely on the amount of cloud liquid and ice in the polar regions. Compared to the observations, we find significant but inconsistent biases in the model simulations of cloud liquid and ice water, as well as in the downwelling radiation components. The CMIP5 models display a wide range of cloud characteristics of the polar regions, especially with regard to cloud liquid water, limiting the representativeness of the multimodel mean. A few CMIP5 models (CNRM, GISS, GFDL, and IPSL_CM5b) clearly outperform the others, which enhances credibility in their projected future cloud and radiation changes over high latitudes. Given the rapid changes in polar regions and global feedbacks involved, future climate model developments should target improved representation of polar clouds. To that end, remote sensing observations are crucial, in spite of large remaining observational uncertainties, which is evidenced by the substantial differences between the two data sets.

  4. The hadronic vacuum polarization contribution to the muon g - 2 in the quark-resonance model

    NARCIS (Netherlands)

    Pallante, E.

    1994-01-01

    The hadronic vacuum polarization contribution to the anomalous magnetic moment of the muon is parametrized by using the quark-resonance model formulated elsewhere. In this context a recent prediction obtained within the ENJL model can be affected by two additional contributions: the next to leading

  5. UAH mathematical model of the variable polarity plasma ARC welding system calculation

    Science.gov (United States)

    Hung, R. J.

    1994-01-01

    Significant advantages of Variable Polarity Plasma Arc (VPPA) welding process include faster welding, fewer repairs, less joint preparation, reduced weldment distortion, and absence of porosity. A mathematical model is presented to analyze the VPPA welding process. Results of the mathematical model were compared with the experimental observation accomplished by the GDI team.

  6. Optical Modeling and Polarization Calibration for CMB Measurements with Actpol and Advanced Actpol

    Science.gov (United States)

    Koopman, Brian; Austermann, Jason; Cho, Hsiao-Mei; Coughlin, Kevin P.; Duff, Shannon M.; Gallardo, Patricio A.; Hasselfield, Matthew; Henderson, Shawn W.; Ho, Shuay-Pwu Patty; Hubmayr, Johannes; hide

    2016-01-01

    The Atacama Cosmology Telescope Polarimeter (ACTPol) is a polarization sensitive upgrade to the Atacama Cosmology Telescope, located at an elevation of 5190 m on Cerro Toco in Chile. ACTPol uses transition edge sensor bolometers coupled to orthomode transducers to measure both the temperature and polarization of the Cosmic Microwave Background (CMB). Calibration of the detector angles is a critical step in producing polarization maps of the CMB. Polarization angle offsets in the detector calibration can cause leakage in polarization from E to B modes and induce a spurious signal in the EB and TB cross correlations, which eliminates our ability to measure potential cosmological sources of EB and TB signals, such as cosmic birefringence. We calibrate the ACTPol detector angles by ray tracing the designed detector angle through the entire optical chain to determine the projection of each detector angle on the sky. The distribution of calibrated detector polarization angles are consistent with a global offset angle from zero when compared to the EB-nulling offset angle, the angle required to null the EB cross-correlation power spectrum. We present the optical modeling process. The detector angles can be cross checked through observations of known polarized sources, whether this be a galactic source or a laboratory reference standard. To cross check the ACTPol detector angles, we use a thin film polarization grid placed in front of the receiver of the telescope, between the receiver and the secondary reflector. Making use of a rapidly rotating half-wave plate (HWP) mount we spin the polarizing grid at a constant speed, polarizing and rotating the incoming atmospheric signal. The resulting sinusoidal signal is used to determine the detector angles. The optical modeling calibration was shown to be consistent with a global offset angle of zero when compared to EB nulling in the first ACTPol results and will continue to be a part of our calibration implementation. The first

  7. 3D Progressive Damage Modeling for Laminated Composite Based on Crack Band Theory and Continuum Damage Mechanics

    Science.gov (United States)

    Wang, John T.; Pineda, Evan J.; Ranatunga, Vipul; Smeltzer, Stanley S.

    2015-01-01

    A simple continuum damage mechanics (CDM) based 3D progressive damage analysis (PDA) tool for laminated composites was developed and implemented as a user defined material subroutine to link with a commercially available explicit finite element code. This PDA tool uses linear lamina properties from standard tests, predicts damage initiation with an easy-to-implement Hashin-Rotem failure criteria, and in the damage evolution phase, evaluates the degradation of material properties based on the crack band theory and traction-separation cohesive laws. It follows Matzenmiller et al.'s formulation to incorporate the degrading material properties into the damaged stiffness matrix. Since nonlinear shear and matrix stress-strain relations are not implemented, correction factors are used for slowing the reduction of the damaged shear stiffness terms to reflect the effect of these nonlinearities on the laminate strength predictions. This CDM based PDA tool is implemented as a user defined material (VUMAT) to link with the Abaqus/Explicit code. Strength predictions obtained, using this VUMAT, are correlated with test data for a set of notched specimens under tension and compression loads.

  8. Fundamentals of continuum mechanics

    CERN Document Server

    Rudnicki, John W

    2014-01-01

    A concise introductory course text on continuum mechanics Fundamentals of Continuum Mechanics focuses on the fundamentals of the subject and provides the background for formulation of numerical methods for large deformations and a wide range of material behaviours. It aims to provide the foundations for further study, not just of these subjects, but also the formulations for much more complex material behaviour and their implementation computationally.  This book is divided into 5 parts, covering mathematical preliminaries, stress, motion and deformation, balance of mass, momentum and energ

  9. Introduction to continuum mechanics

    CERN Document Server

    Lai, W Michael; Rubin, David

    1996-01-01

    Introduction to Continuum Mechanics is a recently updated and revised text which is perfect for either introductory courses in an undergraduate engineering curriculum or for a beginning graduate course.Continuum Mechanics studies the response of materials to different loading conditions. The concept of tensors is introduced through the idea of linear transformation in a self-contained chapter, and the interrelation of direct notation, indicial notation, and matrix operations is clearly presented. A wide range of idealized materials are considered through simple static and dynamic problems, a

  10. Plasma polarization spectroscopy

    International Nuclear Information System (INIS)

    Iwamae, Atsushi; Horimoto, Yasuhiro; Fujimoto, Takashi; Hasegawa, Noboru; Sukegawa, Kouta; Kawachi, Tetsuya

    2005-01-01

    The electron velocity distribution function (EVDF) in plasma can be anisotropic in laser-produced plasmas. We have developed a new technique to evaluate the polarization degree of the emission lines in the extreme vacuum ultra violet wavelength region. The polarization of the emission lines and the continuums from the lithium-like nitrogen and from helium- and hydrogen-like carbon in recombining plasma is evaluated. Particle simulation in the velocity space gives the time scale for relaxation of anisotropic EVDFs. (author)

  11. POLAR-PALOOZA Polar Researchers and Arctic Residents Engage, Inform and Inspire Diverse Public Audiences by sharing Polar Science and Global Connections during the International Polar Year, using a New Model of Informal Science Education

    Science.gov (United States)

    Haines-Stiles, G.; Akuginow, E.

    2006-12-01

    (Please note that the POLAR-PALOOZA initiative described in this Abstract is-as of 9/7/2006-"pending" for possible support from NSF and NASA as part of this year's IPY solicitation. Subject to decisions expected by 9/30, this presentation would either be withdrawn, or amplified with specific participants, locations and dates.) Despite the success of well-regarded movies like "March of the Penguins", the polar regions remain a great unknown for most people. Public knowledge about the Arctic and Antarctic, and the critical role of the Poles in the entire Earth system, is nonexistent, incomplete or burdened with misperceptions. The International Polar Years of 2007-2009-and associated "I*Y" science years such as IHY, IYPE and eGY-present a unique opportunity to change this. The people who can best effect this change are those who know the Poles best, through living or working there. Based on innovative but proven models, POLAR-PALOOZA will use three complementary strategies to engage, inform and inspire large public audiences. (1) A national tour, under the working title "Stories from a Changing Planet", will include in-person presentations at science centers, museums, libraries and schools across North America, including Canada and Mexico. The presentations will be augmented by High Definition Video taped on location at the Poles, audio and video podcasts, and special education and outreach activities for targeted audiences. "Stories from a Changing Planet" will provide diverse audiences with an exciting opportunity to meet and interact directly with polar experts, and to appreciate why the Poles and the research done there are directly relevant to their lives. (2) The "HiDef Video Science Story Capture Corps" is a team of professional videographers, using the latest generation of low-cost, high-quality cameras, deployed to both Poles. They will document the work of multiple researchers and projects, rather than focusing on one topic for a single broadcast program

  12. A MULTIPLE SCATTERING POLARIZED RADIATIVE TRANSFER MODEL: APPLICATION TO HD 189733b

    Energy Technology Data Exchange (ETDEWEB)

    Kopparla, Pushkar; Yung, Yuk L. [Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, CA (United States); Natraj, Vijay; Swain, Mark R. [Jet Propulsion Laboratory (NASA-JPL), Pasadena, CA (United States); Zhang, Xi [Lunar and Planetary Laboratory, University of Arizona, Tucson, AZ (United States); Wiktorowicz, Sloane J., E-mail: pkk@gps.caltech.edu [Department of Astronomy and Astrophysics, University of California, Santa Cruz, CA (United States)

    2016-01-20

    We present a multiple scattering vector radiative transfer model that produces disk integrated, full phase polarized light curves for reflected light from an exoplanetary atmosphere. We validate our model against results from published analytical and computational models and discuss a small number of cases relevant to the existing and possible near-future observations of the exoplanet HD 189733b. HD 189733b is arguably the most well observed exoplanet to date and the only exoplanet to be observed in polarized light, yet it is debated if the planet’s atmosphere is cloudy or clear. We model reflected light from clear atmospheres with Rayleigh scattering, and cloudy or hazy atmospheres with Mie and fractal aggregate particles. We show that clear and cloudy atmospheres have large differences in polarized light as compared to simple flux measurements, though existing observations are insufficient to make this distinction. Futhermore, we show that atmospheres that are spatially inhomogeneous, such as being partially covered by clouds or hazes, exhibit larger contrasts in polarized light when compared to clear atmospheres. This effect can potentially be used to identify patchy clouds in exoplanets. Given a set of full phase polarimetric measurements, this model can constrain the geometric albedo, properties of scattering particles in the atmosphere, and the longitude of the ascending node of the orbit. The model is used to interpret new polarimetric observations of HD 189733b in a companion paper.

  13. The MUPPLE competence continuum

    NARCIS (Netherlands)

    Wild, Joanna; Wild, Fridolin; Kalz, Marco; Specht, Marcus; Hofer, Margit

    2009-01-01

    Wild, J., Wild, F., Kalz, M., Specht, M., & Hofer, M. (2009). The MUPPLE competence continuum. In F. Wild, M. Kalz, M. Palmér & D. Müller (Eds.), Proceedings of 2nd Workshop Mash-Up Personal Learning Envrionments (MUPPLE'09). Workshop in conjunction with 4th European Conference on Technology

  14. Numerical continuum mechanics

    CERN Document Server

    Kukudzhanov, Vladimir N

    2013-01-01

    This work focuses on computational methods in continuum thermomechanics. The text is based on the author's lectures, which ensures a didactical and coherent buildup.The main emphasis is put on the presentation of ideas and qualitative considerations, illustrated by specific examples and applications. Conditions and explanations that are essential for the practical application of methods are discussed thoroughly.

  15. Polarized neutron diffraction - a tool for testing extinction models: application to yttrium iron garnet

    International Nuclear Information System (INIS)

    Bonnet, M.; Delapalme, A.; Becker, P.

    1976-01-01

    This paper shows that polarized neutron experiments, which do not depend on any scale factor, are very dependent on extinction and provide original tests for extinction models. Moon, Koehler, Cable and Child (1972) have formulated the problem and proposed a first-order solution applicable only when the extinction is small. In the first part, some analytical derivations of secondary extinction corrections are discussed, using the formalism of Becker and Coppens (1974). In the second part, the main principles governing polarized neutron diffraction are briefly reviewed, with a special discussion of extinction problems. The method is then applied to the case of yttrium iron garnet (YIG). This experiment shows the technique of polarized neutrons to be very powerful for testing extinction models and for deciding whether the crystal behaves dynamically or kinematically (following Kato's criterion). (Auth.)

  16. CP violation, single lepton polarization asymmetry, and polarized CP asymmetry in B→K*l+l- decay in the four-generation standard model

    International Nuclear Information System (INIS)

    Bashiry, V.; Shirkhanghah, N.; Zeynali, K.

    2009-01-01

    In this paper we present a study of CP asymmetry, single lepton polarization asymmetry and polarized CP asymmetry in B→K*l + l - decay within the four-generation standard model. Taking |V t ' s *V t ' b |=0.01, 0.02, 0.03 with phase {60 deg. -120 deg.}, which is consistent with the b→sl + l - rate and the Bs mixing parameter Δm Bs , we find that CP asymmetry, single lepton polarization asymmetry and polarized CP asymmetry are sensitive to the existence of the fourth generation. This can serve as an indirect method to search for new physics effects, in particular, to search for the fourth-generation quarks(t ' ,b ' ) via their indirect manifestations in loop diagrams.

  17. Flexoelectricity and the polarity of complex ferroelastic twin patterns

    Science.gov (United States)

    Salje, Ekhard K. H.; Li, Suzhi; Stengel, Massimiliano; Gumbsch, Peter; Ding, Xiangdong

    2016-07-01

    We study, by means of an atomistic toy model, the interplay of ferroelastic twin patterns and electrical polarization. Our molecular dynamics simulations reproduce polarity in straight twin walls as observed experimentally. We show, by making contact with continuum theory, that the effect is governed by linear flexoelectricity. Complex twin patterns, with very high densities of kinks and/or junctions, produce winding structures in the dipolar field, which are reminiscent of polarization vortices. By means of a "cold shearing" technique, we produce patches with high vortex densities; these unexpectedly show a net macroscopic polarization even if neither the original sample nor the applied mechanical perturbation breaks inversion symmetry by itself. These results may explain some puzzling experimental observations of "parasitic" polarity in the paraelectric phase of BaTi O3 and LaAl O3 .

  18. The risk of HIV transmission at each step of the HIV care continuum among people who inject drugs: a modeling study.

    Science.gov (United States)

    Escudero, Daniel J; Lurie, Mark N; Mayer, Kenneth H; King, Maximilian; Galea, Sandro; Friedman, Samuel R; Marshall, Brandon D L

    2017-07-25

    People who inject drugs (PWID) are at continued risk for HIV in the U.S., and experience disparities across the HIV care continuum compared to other high-risk groups. Estimates of the risk of HIV transmission at each stage of the care continuum may assist in identifying public health priorities for averting incident infections among PWID, in addition to transmissions to sexual partners of PWID. We created an agent-based model simulating HIV transmission and the HIV care continuum for PWID in New York City (NYC) in 2012. To account for sexual transmission arising from PWID to non-PWID, the simulation included the entire adult NYC population. Using surveillance data and estimates from the National HIV Behavioral Surveillance system, we simulated a dynamic sexual and injecting network. We estimated the proportion of HIV transmission events attributable to PWID in the following categories, those: without an HIV diagnosis ('Undiagnosed'); diagnosed but not on antiretroviral therapy (ART) ('Diagnosed - not on ART'); those who initiated ART but were not virally suppressed ('Unsuppressed'); and, those who achieved viral suppression ('Suppressed'). We estimated HIV incidence among PWID to be 113 per 100,000 person-years in 2012, with an overall incidence rate for the entire adult NYC population of 33 per 100,000 person-years. Despite accounting for only 33% of the HIV-infected PWID population, the Undiagnosed were associated with 52.6% (95% simulation interval [95% SI]: 47.1-57.0%) of total transmission events. The Diagnosed - not on ART population contributed the second-largest proportion of HIV transmissions, with 36.6% (95% SI: 32.2-41.5%). The Unsuppressed population contributed 8.7% (95% SI: 5.6-11.8%), and Suppressed 2.1% (95% SI: 1.1-3.9%), relatively little of overall transmission. Among PWID in NYC, more than half (53%) of transmissions were from those who were unaware of their infection status and more than 36% were due to PWID who knew their status, but were

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

    Science.gov (United States)

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

    2014-05-01

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

  20. Dynamical model of coherent circularly polarized optical pulse interactions with two-level quantum systems

    International Nuclear Information System (INIS)

    Slavcheva, G.; Hess, O.

    2005-01-01

    We propose and develop a method for theoretical description of circularly (elliptically) polarized optical pulse resonant coherent interactions with two-level atoms. The method is based on the time-evolution equations of a two-level quantum system in the presence of a time-dependent dipole perturbation for electric dipole transitions between states with total angular-momentum projection difference (ΔJ z =±1) excited by a circularly polarized electromagnetic field [Feynman et al., J. Appl. Phys. 28, 49 (1957)]. The adopted real-vector representation approach allows for coupling with the vectorial Maxwell's equations for the optical wave propagation and thus the resulting Maxwell pseudospin equations can be numerically solved in the time domain without any approximations. The model permits a more exact study of the ultrafast coherent pulse propagation effects taking into account the vector nature of the electromagnetic field and hence the polarization state of the optical excitation. We demonstrate self-induced transparency effects and formation of polarized solitons. The model represents a qualitative extension of the well-known optical Maxwell-Bloch equations valid for linearly polarized light and a tool for studying coherent quantum control mechanisms

  1. An interatomic potential model for carbonates allowing for polarization effects

    International Nuclear Information System (INIS)

    Birse, S.E.A.; Archer, T.D.; Dove, Martin T.; Cygan, Randall Timothy; Gale, Julian D.; Redern, Simon A.T.

    2003-01-01

    An empirical model for investigating the behavior of CaCO 3 polymorphs incorporating a shell model for oxygen has been created. The model was constructed by fitting to: the structure of aragonite and calcite; their elastic, static and high-frequency dielectric constants; phonon frequencies at the wave vectors (1/2 0 2) and (0 0 0) of calcite; and vibrational frequencies of the carbonate deformation modes of calcite. The high-pressure phase transition between calcite I and II is observed. The potentials for the CO 3 group were transferred to other carbonates, by refitting the interaction between CO 3 and the cation to both the experimental structures and their bulk modulus, creating a set of potentials for calculating the properties of a wide range of carbonate materials. Defect energies of substitutional cation defects were analyzed for calcite and aragonite phases. The results were rationalized by studying the structure of calcite and aragonite in greater detail.

  2. Effects of Response Style on the Polarity and Validity of Two-Dimensional Mood Models.

    Science.gov (United States)

    1985-08-01

    bipolar. Journal of Personality and Social Psychology, 37, 345-356. Russell, J.A. (1980). A circumplex model of affect. Journal of Personality and Social...RESOLUTION TEST CHART NATIONAL BUREAU OF STANDARDS- 19 6 3 A ’ EFFECTS OF RESPONSE STYLE ON THE POLARITY AND VALIDITY OF TWO-DIMENSIONAL MOOD MODELS -: N R...hypothesis requires appropriate measures of emotional state. Therefore, this study compared two alternative models for describing emotional states as

  3. Rocket Measurements Within a Polar Cap Arc: Ionospheric Modelling,

    Science.gov (United States)

    1987-11-19

    References Aarons, Jules , Global morphology of ionospheric scintillations, Proc. IEEE, 70, 360, 1982. Banks, P.M., Chapell, C.R., and A.F. Nagy, A new model...penetration of soft electrons into the ionosphere, Planet. Space Sci., 24, 409, 1975. Mantas, George P., Carlson, Herbert C. Jr., and Caesar H. LaHoz

  4. Polarized microwave forward model simulations for tropical storm ...

    Indian Academy of Sciences (India)

    microwave remote sensing of precipitation sys- tems largely depends on the forward radiative transfer model (Petty 2001), which are themselves based on some assumptions and hence are never perfect. The Tropical Rainfall Measuring Mission. (TRMM) satellite was designed to measure preci- pitation with high resolution ...

  5. Dust in the small Magellanic Cloud. 2: Dust models from interstellar polarization and extinction data

    Science.gov (United States)

    Rodrigues, C. V.; Magalhaes, A. M.; Coyne, G. V.

    1995-01-01

    We study the dust in the Small Magellanic Cloud using our polarization and extinction data (Paper 1) and existing dust models. The data suggest that the monotonic SMC extinction curve is related to values of lambda(sub max), the wavelength of maximum polarization, which are on the average smaller than the mean for the Galaxy. On the other hand, AZV 456, a star with an extinction similar to that for the Galaxy, shows a value of lambda(sub max) similar to the mean for the Galaxy. We discuss simultaneous dust model fits to extinction and polarization. Fits to the wavelength dependent polarization data are possible for stars with small lambda(sub max). In general, they imply dust size distributions which are narrower and have smaller mean sizes compared to typical size distributions for the Galaxy. However, stars with lambda(sub max) close to the Galactic norm, which also have a narrower polarization curve, cannot be fit adequately. This holds true for all of the dust models considered. The best fits to the extinction curves are obtained with a power law size distribution by assuming that the cylindrical and spherical silicate grains have a volume distribution which is continuous from the smaller spheres to the larger cylinders. The size distribution for the cylinders is taken from the fit to the polarization. The 'typical', monotonic SMC extinction curve can be fit well with graphite and silicate grains if a small fraction of the SMC carbon is locked up in the grain. However, amorphous carbon and silicate grains also fit the data well. AZV456, which has an extinction curve similar to that for the Galaxy, has a UV bump which is too blue to be fit by spherical graphite grains.

  6. Numerical Model of an Injection-Locked Wideband Frequency Modulator for Polar Transmitters

    NARCIS (Netherlands)

    Bashir, I.; Staszewski, R.B.; Balsara, P.T.

    2017-01-01

    We present a numerical model of a wideband injection-locked frequency modulator used in a polar transmitter for 3G cellular radio application. At the heart of the system is a self-injection-locked oscillator with a programmable linear tuning range of up to 200 MHz at 4-GHz oscillation frequency.

  7. Polarized Airway Epithelial Models for Immunological Co-Culture Studies

    DEFF Research Database (Denmark)

    Papazian, Dick; Würtzen, Peter A; Hansen, Søren Werner Karlskov

    2016-01-01

    of the epithelial response towards environmental antigens and genetic susceptibility, resulting in inflammation and T cell-derived immune responses. In vivo animal models have long been used to study immune homeostasis of the airways but are limited by species restriction and lack of exposure to a natural......Epithelial cells line all cavities and surfaces throughout the body and play a substantial role in maintaining tissue homeostasis. Asthma and other atopic diseases are increasing worldwide and allergic disorders are hypothesized to be a consequence of a combination of dysregulation......-culture models to become powerful tools in the discovery of key molecules dictating immunity and/or tolerance, and for understanding the complex interplay that takes place between mucosa, airway epithelium and resident or infiltrating immune cells. This review focuses on current knowledge and the advantages...

  8. Dependence of model-simulated response to ozone depletion on stratospheric polar vortex climatology

    Science.gov (United States)

    Lin, Pu; Paynter, David; Polvani, Lorenzo; Correa, Gustavo J. P.; Ming, Yi; Ramaswamy, V.

    2017-06-01

    We contrast the responses to ozone depletion in two climate models: Community Atmospheric Model version 3 (CAM3) and Geophysical Fuild Dynamics Laboratory (GFDL) AM3. Although both models are forced with identical ozone concentration changes, the stratospheric cooling simulated in CAM3 is 30% stronger than in AM3 in annual mean, and twice as strong in December. We find that this difference originates from the dynamical response to ozone depletion, and its strength can be linked to the timing of the climatological springtime polar vortex breakdown. This mechanism is further supported by a variant of the AM3 simulation in which the southern stratospheric zonal wind climatology is nudged to be CAM3-like. Given that the delayed breakdown of the southern polar vortex is a common bias among many climate models, previous model-based assessments of the forced responses to ozone depletion may have been somewhat overestimated.

  9. Atomic polarizations necessary for coherent infrared intensity modeling with theoretical calculations.

    Science.gov (United States)

    Richter, Wagner E; Silva, Arnaldo F; Bruns, Roy E

    2017-04-07

    The inclusion of atomic polarizations for describing molecular electronic structure changes on vibration is shown to be necessary for coherent infrared intensity modeling. Atomic charges from the ChelpG partition scheme and atomic charges and dipoles from Quantum Theory of Atoms in Molecules (QTAIM) were employed within two different models to describe the stretching and bending vibrational intensities of the C-H, C-F, and C=O groups. The model employing the QTAIM parameters was the Charge-Charge Transfer and Dipolar Polarization model (QTAIM/CCTDP), and the model employing the ChelpG charges was the Equilibrium Charge-Charge Flux (ChelpG/ECCF). The QTAIM/CCTDP models result in characteristic proportions of the charge-charge transfer-dipolar polarization contributions even though their sums giving the total intensities do not discriminate between these vibrations. According to the QTAIM/CCTDP model, the carbon monoxide intensity has electronic structure changes similar to those of the carbonyl stretches whereas they resemble those of the CH stretches for the ChelpG/ECCF model.

  10. Modeling of polarization phenomena due to RF sheaths and electron beams in magnetized plasma

    International Nuclear Information System (INIS)

    Faudot, E.

    2005-01-01

    This work investigates the problematic of hot spots induced by accelerated particle fluxes in tokamaks. It is shown that the polarization due to sheaths in the edge plasma in which an electron beam at a high level of energy is injected, can reach several hundreds volts and thus extend the deposition area. The notion of obstructed sheath is introduced and explains the acceleration of energy deposition by the decreasing of the sheath potential. Then, a 2-dimensional fluid modeling of flux tubes in front of ICRF antennae allows us to calculate the rectified potentials taking into account RF polarization currents transverse to magnetic field lines. The 2-dimensional fluid code designed validates the analytical results which show that the DC rectified potential is 50% greater with polarization currents than without. Finally, the simultaneous application of an electron beam and a RF potential reveals that the potentials due to each phenomenon are additives when RF potential is much greater than beam polarization. The density depletion of polarized flux tubes in 2-dimensional PIC (particles in cells) simulations is characterized but not yet explained. (author)

  11. Polarization modeling and predictions for DKIST part 3: focal ratio and thermal dependencies of spectral polarization fringes and optic retardance

    Science.gov (United States)

    Harrington, David M.; Sueoka, Stacey R.

    2018-01-01

    Data products from high spectral resolution astronomical polarimeters are often limited by fringes. Fringes can skew derived magnetic field properties from spectropolarimetric data. Fringe removal algorithms can also corrupt the data if the fringes and object signals are too similar. For some narrow-band imaging polarimeters, fringes change the calibration retarder properties and dominate the calibration errors. Systems-level engineering tools for polarimetric instrumentation require accurate predictions of fringe amplitudes, periods for transmission, diattenuation, and retardance. The relevant instabilities caused by environmental, thermal, and optical properties can be modeled and mitigation tools developed. We create spectral polarization fringe amplitude and temporal instability predictions by applying the Berreman calculus and simple interferometric calculations to optics in beams of varying F/ number. We then apply the formalism to superachromatic six-crystal retarders in converging beams under beam thermal loading in outdoor environmental conditions for two of the world's largest observatories: the 10-m Keck telescope and the Daniel K. Inouye Solar Telescope (DKIST). DKIST will produce a 300-W optical beam, which has imposed stringent requirements on the large diameter six-crystal retarders, dichroic beamsplitters, and internal optics. DKIST retarders are used in a converging beam with F/ ratios between 8 and 62. The fringe spectral periods, amplitudes, and thermal models of retarder behavior assisted DKIST optical designs and calibration plans with future application to many astronomical spectropolarimeters. The Low Resolution Imaging Spectrograph with polarimetry instrument at Keck also uses six-crystal retarders in a converging F / 13 beam in a Cassegrain focus exposed to summit environmental conditions providing observational verification of our predictions.

  12. Review on mechanisms and continuum models of multi-phase transport phenomena in porous structures of non-aqueous Li-Air batteries

    Science.gov (United States)

    Yuan, Jinliang; Yu, Jong-Sung; Sundén, Bengt

    2015-03-01

    During recent years intensive research activities involving both experimental and modeling approaches have appeared for different aspects of Lithium-air (Li-air) battery. Multi-phase transport phenomena including dissolved oxygen and lithium ions (Li+) in the liquid electrolyte, as well as electrons in the solid materials, are strongly coupled with the porous structures and various reactions, particularly the solid product grown in the porous cathode during battery discharge. Understanding the mechanisms of transport phenomena and accurate evaluation of effective transport properties are significant for improving the battery capacities and design, especially at high rate conditions. In this paper, the transport governing equations commonly used for macroscopic continuum models at porous-average level are outlined and highlighted, with a purpose to provide a general overview of the validity and the limitation of these approaches. The most often used models in the open literature are reviewed and discussed focusing on the effective properties involving tortuosity factors, solid product morphologies, as well as effects on the void space clogging, surface area reduction and passivation. Comments and suggestions are also provided for better understanding of multi-phase transport phenomena and implementation of the detailed models for solid product generation and morphology growth in Li-air battery cathodes.

  13. Continuum mechanics for engineers

    CERN Document Server

    Mase, G Thomas; Mase, George E

    2009-01-01

    Continuum TheoryContinuum MechanicsStarting OverNotationEssential MathematicsScalars, Vectors and Cartesian TensorsTensor Algebra in Symbolic Notation - Summation ConventionIndicial NotationMatrices and DeterminantsTransformations of Cartesian TensorsPrincipal Values and Principal DirectionsTensor Fields, Tensor CalculusIntegral Theorems of Gauss and StokesStress PrinciplesBody and Surface Forces, Mass DensityCauchy Stress PrincipleThe Stress TensorForce and Moment Equilibrium; Stress Tensor SymmetryStress Transformation LawsPrincipal Stresses; Principal Stress DirectionsMaximum and Minimum Stress ValuesMohr's Circles For Stress Plane StressDeviator and Spherical Stress StatesOctahedral Shear StressKinematics of Deformation and MotionParticles, Configurations, Deformations and MotionMaterial and Spatial CoordinatesLangrangian and Eulerian DescriptionsThe Displacement FieldThe Material DerivativeDeformation Gradients, Finite Strain TensorsInfinitesimal Deformation TheoryCompatibility EquationsStretch RatiosRot...

  14. Nonlocal continuum field theories

    CERN Document Server

    2002-01-01

    Nonlocal continuum field theories are concerned with material bodies whose behavior at any interior point depends on the state of all other points in the body -- rather than only on an effective field resulting from these points -- in addition to its own state and the state of some calculable external field. Nonlocal field theory extends classical field theory by describing the responses of points within the medium by functionals rather than functions (the "constitutive relations" of classical field theory). Such considerations are already well known in solid-state physics, where the nonlocal interactions between the atoms are prevalent in determining the properties of the material. The tools developed for crystalline materials, however, do not lend themselves to analyzing amorphous materials, or materials in which imperfections are a major part of the structure. Nonlocal continuum theories, by contrast, can describe these materials faithfully at scales down to the lattice parameter. This book presents a unif...

  15. Technical Note: SWIFT - a fast semi-empirical model for polar stratospheric ozone loss

    Science.gov (United States)

    Rex, M.; Kremser, S.; Huck, P.; Bodeker, G.; Wohltmann, I.; Santee, M. L.; Bernath, P.

    2014-07-01

    An extremely fast model to estimate the degree of stratospheric ozone depletion during polar winters is described. It is based on a set of coupled differential equations that simulate the seasonal evolution of vortex-averaged hydrogen chloride (HCl), nitric acid (HNO3), chlorine nitrate (ClONO2), active forms of chlorine (ClOx = Cl + ClO + 2 ClOOCl) and ozone (O3) on isentropic levels within the polar vortices. Terms in these equations account for the chemical and physical processes driving the time rate of change of these species. Eight empirical fit coefficients associated with these terms are derived by iteratively fitting the equations to vortex-averaged satellite-based measurements of HCl, HNO3 and ClONO2 and observationally derived ozone loss rates. The system of differential equations is not stiff and can be solved with a time step of one day, allowing many years to be processed per second on a standard PC. The inputs required are the daily fractions of the vortex area covered by polar stratospheric clouds and the fractions of the vortex area exposed to sunlight. The resultant model, SWIFT (Semi-empirical Weighted Iterative Fit Technique), provides a fast yet accurate method to simulate ozone loss rates in polar regions. SWIFT's capabilities are demonstrated by comparing measured and modeled total ozone loss outside of the training period.

  16. Improving Geoscience Education through the PolarTREC Teacher Research Experience Model (Invited)

    Science.gov (United States)

    Warburton, J.; Timm, K.; Larson, A. M.

    2010-12-01

    Teacher Research Experiences (TRE’s) are not new. For more than a decade, the National Science Foundation (NSF) as well as other federal agencies have been funding programs that place teachers with researchers in efforts to invigorate science education by bringing educators and researchers together through hands-on experiences. Many of the TRE’s are successful in providing a hands-on field experience for the teachers and researchers however many of the programs lack the resources to continue the collaborations and support the growing network of teachers that have had these field experiences. In 2007, NSF provided funding for PolarTREC—Teachers and Researchers Exploring and Collaborating, a program of the Arctic Research Consortium of the U.S. (ARCUS). PolarTREC is a TRE where K-12 teachers participate in polar field research, working closely with scientists as a pathway to improving science education. In just three years, it has become a successful TRE. What makes PolarTREC different than other the teacher research experience programs and how can others benefit from what we have learned? During this presentation, we will share data collected through the program evaluation and on how PolarTREC contributes to the discipline of Science, Technology, Engineering, and Mathematics (STEM) education and pedagogy through a model program conceived and organized according to current best practices, such as pre-research training, mentoring, support for classroom transfer, and long-term access to resources and support. Data shows that PolarTREC’s comprehensive program activities have many positive impacts on educators and their ability to teach science concepts and improve their teaching methods. Additionally, K-12 students polled in interest surveys showed significant changes in key areas including amount of time spent in school exploring research activities, importance of understanding science for future work, importance of understanding the polar regions as a person

  17. The comparison of two continuum damage mechanics-based material models for formability prediction of AA6082 under hot stamping conditions

    Science.gov (United States)

    Shao, Z.; Li, N.; Lin, J.

    2017-09-01

    The hot stamping and cold die quenching process has experienced tremendous development in order to obtain shapes of structural components with great complexity in automotive applications. Prediction of the formability of a metal sheet is significant for practical applications of forming components in the automotive industry. Since microstructural evolution in an alloy at elevated temperature has a large effect on formability, continuum damage mechanics (CDM)-based material models can be used to characterise the behaviour of metals when a forming process is conducted at elevated temperatures. In this paper, two sets of unified multi-axial constitutive equations based on material’s stress states and strain states, respectively, were calibrated and used to effectively predict the thermo-mechanical response and forming limits of alloys under complex hot stamping conditions. In order to determine and calibrate the two material models, formability tests of AA6082 using a developed novel biaxial testing system were conducted at various temperatures and strain rates under hot stamping conditions. The determined unified constitutive equations from experimental data are presented in this paper. It is found that both of the stress-state based and strain-state based material models can predict the formability of AA6082 under hot stamping conditions.

  18. Modeling stomatal conductance in the earth system: linking leaf water-use efficiency and water transport along the soil-plant-atmosphere continuum

    Science.gov (United States)

    Bonan, G. B.; Williams, M.; Fisher, R. A.; Oleson, K. W.

    2014-09-01

    The Ball-Berry stomatal conductance model is commonly used in earth system models to simulate biotic regulation of evapotranspiration. However, the dependence of stomatal conductance (gs) on vapor pressure deficit (Ds) and soil moisture must be empirically parameterized. We evaluated the Ball-Berry model used in the Community Land Model version 4.5 (CLM4.5) and an alternative stomatal conductance model that links leaf gas exchange, plant hydraulic constraints, and the soil-plant-atmosphere continuum (SPA). The SPA model simulates stomatal conductance numerically by (1) optimizing photosynthetic carbon gain per unit water loss while (2) constraining stomatal opening to prevent leaf water potential from dropping below a critical minimum. We evaluated two optimization algorithms: intrinsic water-use efficiency (ΔAn /Δgs, the marginal carbon gain of stomatal opening) and water-use efficiency (ΔAn /ΔEl, the marginal carbon gain of transpiration water loss). We implemented the stomatal models in a multi-layer plant canopy model to resolve profiles of gas exchange, leaf water potential, and plant hydraulics within the canopy, and evaluated the simulations using leaf analyses, eddy covariance fluxes at six forest sites, and parameter sensitivity analyses. The primary differences among stomatal models relate to soil moisture stress and vapor pressure deficit responses. Without soil moisture stress, the performance of the SPA stomatal model was comparable to or slightly better than the CLM Ball-Berry model in flux tower simulations, but was significantly better than the CLM Ball-Berry model when there was soil moisture stress. Functional dependence of gs on soil moisture emerged from water flow along the soil-to-leaf pathway rather than being imposed a priori, as in the CLM Ball-Berry model. Similar functional dependence of gs on Ds emerged from the ΔAn/ΔEl optimization, but not the ΔAn /gs optimization. Two parameters (stomatal efficiency and root hydraulic

  19. Modeling hydrate formation conditions in the presence of electrolytes and polar inhibitor solutions

    International Nuclear Information System (INIS)

    Osfouri, Shahriar; Azin, Reza; Gholami, Reza; Izadpanah, Amir Abbas

    2015-01-01

    Highlights: • A new predictive model is proposed for prediction of hydrate formation pressures. • A new local composition model was used to evaluate water activity in the presence of electrolyte. • MEG, DEG and TEG were used to test ability of the proposed model in the presence of polar inhibitors. • Cage occupancies by methane for the small cage were higher than carbon dioxide for gas mixtures. • The proposed model gives better match with experimental data in mixed electrolyte solutions. - Abstract: In this paper, a new predictive model is proposed for prediction of gas hydrate formation conditions in the presence of single and mixed electrolytes and solutions containing both electrolyte and a polar inhibitor such as monoethylene glycol (MEG), diethylene glycol (DEG) and triethylene glycol (TEG). The proposed model is based on the γ–φ approach, which uses modified Patel–Teja equation of state (VPT EOS) for characterizing the vapor phase, the solid solution theory by van der Waals and Platteeuw for modeling the hydrate phase, the non-electrolyte NRTL-NRF local composition model and Pitzer–Debye–Huckel equation as short-range and long-range contributions to calculate water activity in single electrolyte solutions. Also, the Margules equation was used to determine the activity of water in solutions containing polar inhibitor (glycols). The model predictions are in acceptable agreement with experimental data. For single electrolyte solutions, the model predictions are similar to available models, while for mixtures of electrolytes and mixtures of electrolytes and inhibitors, the proposed model gives significantly better predictions. In addition, the absolute average deviation of hydrate formation pressures (AADP) for 144 experimental data in solutions containing single electrolyte is 5.86% and for 190 experimental data in mixed electrolytes solutions is 5.23%. Furthermore, the proposed model has an AADP of 14.13%, 5.82% and 5.28% in solutions

  20. Mathematical modeling of planar cell polarity signaling in the Drosophila melanogaster wing

    Science.gov (United States)

    Amonlirdviman, Keith

    Planar cell polarity (PCP) signaling refers to the coordinated polarization of cells within the plane of various epithelial tissues to generate sub-cellular asymmetry along an axis orthogonal to their apical-basal axes. For example, in the Drosophila wing, PCP is seen in the parallel orientation of hairs that protrude from each of the approximately 30,000 epithelial cells to robustly point toward the wing tip. Through a poorly understood mechanism, cell clones mutant for some PCP signaling components, including some, but not all alleles of the receptor frizzled, cause polarity disruptions of neighboring, wild-type cells, a phenomenon referred to as domineering nonautonomy. Previous models have proposed diffusible factors to explain nonautonomy, but no such factors have yet been found. This dissertation describes the mathematical modeling of PCP in the Drosophila wing, based on a contact dependent signaling hypothesis derived from experimental results. Intuition alone is insufficient to deduce that this hypothesis, which relies on a local feedback loop acting at the cell membrane, underlies the complex patterns observed in large fields of cells containing mutant clones, and others have argued that it cannot account for observed phenotypes. Through reaction-diffusion, partial differential equation modeling and simulation, the feedback loop is shown to fully reproduce PCP phenotypes, including domineering nonautonomy. The sufficiency of this model and the experimental validation of model predictions argue that previously proposed diffusible factors need not be invoked to explain PCP signaling and reveal how specific protein-protein interactions lead to autonomy or domineering nonautonomy. Based on these results, an ordinary differential equation model is derived to study the relationship of the feedback loop with upstream signaling components. The cadherin Fat transduces a cue to the local feedback loop, biasing the polarity direction of each cell toward the wing tip

  1. Expanding signaling-molecule wavefront model of cell polarization in the Drosophila wing primordium.

    Science.gov (United States)

    Wortman, Juliana C; Nahmad, Marcos; Zhang, Peng Cheng; Lander, Arthur D; Yu, Clare C

    2017-07-01

    In developing tissues, cell polarization and proliferation are regulated by morphogens and signaling pathways. Cells throughout the Drosophila wing primordium typically show subcellular localization of the unconventional myosin Dachs on the distal side of cells (nearest the center of the disc). Dachs localization depends on the spatial distribution of bonds between the protocadherins Fat (Ft) and Dachsous (Ds), which form heterodimers between adjacent cells; and the Golgi kinase Four-jointed (Fj), which affects the binding affinities of Ft and Ds. The Fj concentration forms a linear gradient while the Ds concentration is roughly uniform throughout most of the wing pouch with a steep transition region that propagates from the center to the edge of the pouch during the third larval instar. Although the Fj gradient is an important cue for polarization, it is unclear how the polarization is affected by cell division and the expanding Ds transition region, both of which can alter the distribution of Ft-Ds heterodimers around the cell periphery. We have developed a computational model to address these questions. In our model, the binding affinity of Ft and Ds depends on phosphorylation by Fj. We assume that the asymmetry of the Ft-Ds bond distribution around the cell periphery defines the polarization, with greater asymmetry promoting cell proliferation. Our model predicts that this asymmetry is greatest in the radially-expanding transition region that leaves polarized cells in its wake. These cells naturally retain their bond distribution asymmetry after division by rapidly replenishing Ft-Ds bonds at new cell-cell interfaces. Thus we predict that the distal localization of Dachs in cells throughout the pouch requires the movement of the Ds transition region and the simple presence, rather than any specific spatial pattern, of Fj.

  2. A rate-equation model for polarized laser-induced fluorescence to measure electric field in glow discharge He plasmas

    International Nuclear Information System (INIS)

    Takiyama, K.; Watanabe, M.; Oda, T.

    1998-01-01

    Possibility of applying polarized laser-induced fluorescence (LIF) spectroscopy for measuring the electric field in a plasma with a large collisional depolarization has been investigated. A rate equation model including the depolarization process was employed to analyze the time evolution of LIF polarization components. The polarized LIF pulse shapes observed in the sheath of a He glow discharge plasma were successfully reproduced, and the electric field distribution was obtained with high accuracy. (author)

  3. Accurate Theoretical Methane Line Lists in the Infrared up to 3000 K and Quasi-continuum Absorption/Emission Modeling for Astrophysical Applications

    Science.gov (United States)

    Rey, Michael; Nikitin, Andrei V.; Tyuterev, Vladimir G.

    2017-10-01

    Modeling atmospheres of hot exoplanets and brown dwarfs requires high-T databases that include methane as the major hydrocarbon. We report a complete theoretical line list of 12CH4 in the infrared range 0-13,400 cm-1 up to T max = 3000 K computed via a full quantum-mechanical method from ab initio potential energy and dipole moment surfaces. Over 150 billion transitions were generated with the lower rovibrational energy cutoff 33,000 cm-1 and intensity cutoff down to 10-33 cm/molecule to ensure convergent opacity predictions. Empirical corrections for 3.7 million of the strongest transitions permitted line position accuracies of 0.001-0.01 cm-1. Full data are partitioned into two sets. “Light lists” contain strong and medium transitions necessary for an accurate description of sharp features in absorption/emission spectra. For a fast and efficient modeling of quasi-continuum cross sections, billions of tiny lines are compressed in “super-line” libraries according to Rey et al. These combined data will be freely accessible via the TheoReTS information system (http://theorets.univ-reims.fr, http://theorets.tsu.ru), which provides a user-friendly interface for simulations of absorption coefficients, cross-sectional transmittance, and radiance. Comparisons with cold, room, and high-T experimental data show that the data reported here represent the first global theoretical methane lists suitable for high-resolution astrophysical applications.

  4. Influence of polarization and a source model for dose calculation in MRT

    Energy Technology Data Exchange (ETDEWEB)

    Bartzsch, Stefan, E-mail: s.bartzsch@dkfz.de; Oelfke, Uwe [The Institute of Cancer Research, 15 Cotswold Road, Belmont, Sutton, Surrey SM2 5NG, United Kingdom and Deutsches Krebsforschungszentrum, Im Neuenheimer Feld 280, D-69120 Heidelberg (Germany); Lerch, Michael; Petasecca, Marco [Centre for Medical Radiation Physics, University of Wollongong, Northfields Avenue, Wollongong 2522 (Australia); Bräuer-Krisch, Elke [European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, 38000 Grenoble (France)

    2014-04-15

    Purpose: Microbeam Radiation Therapy (MRT), an alternative preclinical treatment strategy using spatially modulated synchrotron radiation on a micrometer scale, has the great potential to cure malignant tumors (e.g., brain tumors) while having low side effects on normal tissue. Dose measurement and calculation in MRT is challenging because of the spatial accuracy required and the arising high dose differences. Dose calculation with Monte Carlo simulations is time consuming and their accuracy is still a matter of debate. In particular, the influence of photon polarization has been discussed in the literature. Moreover, it is controversial whether a complete knowledge of phase space trajectories, i.e., the simulation of the machine from the wiggler to the collimator, is necessary in order to accurately calculate the dose. Methods: With Monte Carlo simulations in the Geant4 toolkit, the authors investigate the influence of polarization on the dose distribution and the therapeutically important peak to valley dose ratios (PVDRs). Furthermore, the authors analyze in detail phase space information provided byMartínez-Rovira et al. [“Development and commissioning of a Monte Carlo photon model for the forthcoming clinical trials in microbeam radiation therapy,” Med. Phys. 39(1), 119–131 (2012)] and examine its influence on peak and valley doses. A simple source model is developed using parallel beams and its applicability is shown in a semiadjoint Monte Carlo simulation. Results are compared to measurements and previously published data. Results: Polarization has a significant influence on the scattered dose outside the microbeam field. In the radiation field, however, dose and PVDRs deduced from calculations without polarization and with polarization differ by less than 3%. The authors show that the key consequences from the phase space information for dose calculations are inhomogeneous primary photon flux, partial absorption due to inclined beam incidence outside

  5. Loop quantization of the polarized Gowdy model on T{sup 3}: classical theory

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, Kinjal; Date, Ghanashyam [Institute of Mathematical Sciences, CIT Campus, Chennai-600 113 (India)], E-mail: kinjal@imsc.res.in, E-mail: shyam@imsc.res.in

    2008-05-21

    The vacuum Gowdy models provide much studied, non-trivial midi-superspace examples. Various technical issues within loop quantum gravity can be studied in these models and one can hope to understand singularities and their resolution in the loop quantization. The first step in this program is to reformulate the model in real connection variables in a manner that is amenable to loop quantization. We begin with the unpolarized model and carry out a consistent reduction to the polarized case. Carrying out complete gauge fixing, the known solutions are recovered.

  6. Nutrient dynamics, transfer and retention along the aquatic continuum from land to ocean: towards integration of ecological and biogeochemical models

    Directory of Open Access Journals (Sweden)

    A. F. Bouwman

    2013-01-01

    Full Text Available In river basins, soils, groundwater, riparian zones and floodplains, streams, rivers, lakes and reservoirs act as successive filters in which the hydrology, ecology and biogeochemical processing are strongly coupled and together act to retain a significant fraction of the nutrients transported. This paper compares existing river ecology concepts with current approaches to describe river biogeochemistry, and assesses the value of these concepts and approaches for understanding the impacts of interacting global change disturbances on river biogeochemistry. Through merging perspectives, concepts, and modeling techniques, we propose integrated model approaches that encompass both aquatic and terrestrial components in heterogeneous landscapes. In this model framework, existing ecological and biogeochemical concepts are extended with a balanced approach for assessing nutrient and sediment delivery, on the one hand, and nutrient in-stream retention on the other hand.

  7. Introduction to continuum mechanics

    CERN Document Server

    Rubin, David; Lai, W Michael

    1994-01-01

    Continuum mechanics studies the response of materials to different loading conditions. The concept of tensors is introduced through the idea of linear transformation in a self-contained chapter, and the interrelation of direct notation, indicial notation and matrix operations is clearly presented. A wide range of idealized materials are considered through simple static and dynamic problems, and the book contains an abundance of illustrative examples and problems, many with solutions. Through the addition of more advanced material (solution of classical elasticity problems, constitutive e

  8. Conformity, Anticonformity and Polarization of Opinions: Insights from a Mathematical Model of Opinion Dynamics

    Directory of Open Access Journals (Sweden)

    Tyll Krueger

    2017-07-01

    Full Text Available Understanding and quantifying polarization in social systems is important because of many reasons. It could for instance help to avoid segregation and conflicts in the society or to control polarized debates and predict their outcomes. In this paper, we present a version of the q-voter model of opinion dynamics with two types of responses to social influence: conformity (like in the original q-voter model and anticonformity. We put the model on a social network with the double-clique topology in order to check how the interplay between those responses impacts the opinion dynamics in a population divided into two antagonistic segments. The model is analyzed analytically, numerically and by means of Monte Carlo simulations. Our results show that the system undergoes two bifurcations as the number of cross-links between cliques changes. Below the first critical point, consensus in the entire system is possible. Thus, two antagonistic cliques may share the same opinion only if they are loosely connected. Above that point, the system ends up in a polarized state.

  9. Polarization in Raman spectroscopy helps explain bone brittleness in genetic mouse models

    Science.gov (United States)

    Makowski, Alexander J.; Pence, Isaac J.; Uppuganti, Sasidhar; Zein-Sabatto, Ahbid; Huszagh, Meredith C.; Mahadevan-Jansen, Anita; Nyman, Jeffry S.

    2014-11-01

    Raman spectroscopy (RS) has been extensively used to characterize bone composition. However, the link between bone biomechanics and RS measures is not well established. Here, we leveraged the sensitivity of RS polarization to organization, thereby assessing whether RS can explain differences in bone toughness in genetic mouse models for which traditional RS peak ratios are not informative. In the selected mutant mice-activating transcription factor 4 (ATF4) or matrix metalloproteinase 9 (MMP9) knock-outs-toughness is reduced but differences in bone strength do not exist between knock-out and corresponding wild-type controls. To incorporate differences in the RS of bone occurring at peak shoulders, a multivariate approach was used. Full spectrum principal components analysis of two paired, orthogonal bone orientations (relative to laser polarization) improved genotype classification and correlation to bone toughness when compared to traditional peak ratios. When applied to femurs from wild-type mice at 8 and 20 weeks of age, the principal components of orthogonal bone orientations improved age classification but not the explanation of the maturation-related increase in strength. Overall, increasing polarization information by collecting spectra from two bone orientations improves the ability of multivariate RS to explain variance in bone toughness, likely due to polarization sensitivity to organizational changes in both mineral and collagen.

  10. Polar angle as a determinant of amphipathic alpha-helix-lipid interactions: a model peptide study.

    Science.gov (United States)

    Uematsu, N; Matsuzaki, K

    2000-10-01

    Various physicochemical properties play important roles in the membrane activities of amphipathic antimicrobial peptides. To examine the effects of the polar angle, two model peptides, thetap100 and thetap180, with polar angles of 100 degrees and 180 degrees, respectively, were designed, and their interactions with membranes were investigated in detail. These peptides have almost identical physicochemical properties except for polar angle. Like naturally occurring peptides, these peptides selectively bind to acidic membranes, assuming amphipathic alpha-helices, and formed peptide-lipid supramolecular complex pores accompanied by lipid flip-flop and peptide translocation. Despite its somewhat lower membrane affinity, thetap100 exhibited higher membrane permeabilization activity, a greater flip-flop rate, as well as more antimicrobial activity due to a higher pore formation rate compared with thetap180. Consistent with these results, the peptide translocation rate of thetap100 was higher. Furthermore, the number of peptides constituting thetap100 pores was less than that of thetap180, and thetap100 pores involved more lipid molecules, as reflected by its cation selectivity. The polar angle was found to be an important parameter determining peptide-lipid interactions.

  11. Modeling and Simulation of Polarization in Internet Group Opinions Based on Cellular Automata

    Directory of Open Access Journals (Sweden)

    Yaofeng Zhang

    2015-01-01

    Full Text Available Hot events on Internet always attract many people who usually form one or several opinion camps through discussion. For the problem of polarization in Internet group opinions, we propose a new model based on Cellular Automata by considering neighbors, opinion leaders, and external influences. Simulation results show the following: (1 It is easy to form the polarization for both continuous opinions and discrete opinions when we only consider neighbors influence, and continuous opinions are more effective in speeding the polarization of group. (2 Coevolution mechanism takes more time to make the system stable, and the global coupling mechanism leads the system to consensus. (3 Opinion leaders play an important role in the development of consensus in Internet group opinions. However, both taking the opinion leaders as zealots and taking some randomly selected individuals as zealots are not conductive to the consensus. (4 Double opinion leaders with consistent opinions will accelerate the formation of group consensus, but the opposite opinions will lead to group polarization. (5 Only small external influences can change the evolutionary direction of Internet group opinions.

  12. A continuum approximation to an off-lattice individual-cell based model of cell migration and adhesion

    NARCIS (Netherlands)

    Middleton, A.M.; Fleck, C.; Grima, R.

    2014-01-01

    Cell–cell adhesion plays a key role in the collective migration of cells and in determining correlations in the relative cell positions and velocities. Recently, it was demonstrated that off-lattice individual cell based models (IBMs) can accurately capture the correlations observed experimentally

  13. Stiffness Control of Surgical Continuum Manipulators.

    Science.gov (United States)

    Mahvash, Mohsen; Dupont, Pierre E

    2011-04-01

    This paper introduces the first stiffness controller for continuum robots. The control law is based on an accurate approximation of a continuum robot's coupled kinematic and static force model. To implement a desired tip stiffness, the controller drives the actuators to positions corresponding to a deflected robot configuration that produces the required tip force for the measured tip position. This approach provides several important advantages. First, it enables the use of robot deflection sensing as a means to both sense and control tip forces. Second, it enables stiffness control to be implemented by modification of existing continuum robot position controllers. The proposed controller is demonstrated experimentally in the context of a concentric tube robot. Results show that the stiffness controller achieves the desired stiffness in steady state, provides good dynamic performance, and exhibits stability during contact transitions.

  14. Hydrodynamical model of anisotropic, polarized turbulent superfluids. I: constraints for the fluxes

    Science.gov (United States)

    Mongiovì, Maria Stella; Restuccia, Liliana

    2018-02-01

    This work is the first of a series of papers devoted to the study of the influence of the anisotropy and polarization of the tangle of quantized vortex lines in superfluid turbulence. A thermodynamical model of inhomogeneous superfluid turbulence previously formulated is here extended, to take into consideration also these effects. The model chooses as thermodynamic state vector the density, the velocity, the energy density, the heat flux, and a complete vorticity tensor field, including its symmetric traceless part and its antisymmetric part. The relations which constrain the constitutive quantities are deduced from the second principle of thermodynamics using the Liu procedure. The results show that the presence of anisotropy and polarization in the vortex tangle affects in a substantial way the dynamics of the heat flux, and allow us to give a physical interpretation of the vorticity tensor here introduced, and to better describe the internal structure of a turbulent superfluid.

  15. Ab Initio Model for Vibrational Excitation of Polar Molecules by Low-Energy Electrons

    Science.gov (United States)

    Vanroose, W. I.; Rescigno, T. N.; McCurdy, C. W.

    2003-05-01

    Vibrational excitation of the hydrogen halides by electron impact has been a subject of continued interest ever since the first observations of pronounced threshold peaks in the cross sections by Rohr and Linder twenty five years ago. Two semi-empirical models have been developed to explain these features, one a virtual state model by Gauyacq and Herzenberg based on effective-range theory, the other by Domcke and co-workers based on a non-local Feshbach resonance model. We will show that a non-empirical model can be formulated which captures the essential features of the observed cross sections. The only parameters needed to implement the calculations are the potential energy curve of the negative ion in the region where it is bound, the potential curve of the neutral target and its R-dependent dipole moment. We use an effective range theory for the nuclear dynamics, which can be implemented without an expansion in target vibrational states, instead of non-local equations derived from Feshbach partitioning. Another new element is the use of a dipole coupled partial-wave model to predict the analytic continuation of the negative ion potential curve into the continuum. We will illustrate the new model with results for electron-HCl scattering.

  16. Evaluation of a combination of continuum and truss finite elements in a model of passive and active muscle tissue.

    Science.gov (United States)

    Hedenstierna, S; Halldin, P; Brolin, K

    2008-12-01

    The numerical method of finite elements (FE) is a powerful tool for analysing stresses and strains in the human body. One area of increasing interest is the skeletal musculature. This study evaluated modelling of skeletal muscle tissue using a combination of passive non-linear, viscoelastic solid elements and active Hill-type truss elements, the super-positioned muscle finite element (SMFE). The performance of the combined materials and elements was evaluated for eccentric motions by simulating a tensile experiment from a published study on a stimulated rabbit muscle including three different strain rates. It was also evaluated for isometric and concentric contractions. The resulting stress-strain curves had the same overall pattern as the experiments, with the main limitation being sensitivity to the active force-length relation. It was concluded that the SMFE could model active and passive muscle tissue at constant rate elongations for strains below failure, as well as isometric and concentric contractions.

  17. Effects of Response Style on Polarity and Validity of Two-Dimensional Mood Models

    Science.gov (United States)

    1985-08-01

    A. (1979) Affective space is bipolar. Journal of PersonalitY and Social Psychology, 37, 345-356. RUSSELL, J. A. (1980) A circumplex model of affect...Classification) (U) EFFECTS OF RESPONSE STYLE ON POLARITY AND VALIDITY OF TWO-DIMENSIONAL MOOD MODELS 12. PERSONAL AUTHOR(S) Vickers, Ross R. Jr., & Hervig, Linda...number) "’"T nipolar and bipolar two-dimensional models have been proposed to represent mood. This study showed that a given data set will produce both

  18. Continuum Thinking and the Contexts of Personal Information Management

    Science.gov (United States)

    Huvila, Isto; Eriksen, Jon; Häusner, Eva-Maria; Jansson, Ina-Maria

    2014-01-01

    Introduction: Recent personal information management literature has underlined the significance of the contextuality of personal information and its use. The present article discusses the applicability of the records continuum model and its generalisation, continuum thinking, as a theoretical framework for explicating the overlap and evolution of…

  19. Modeling light entangled in polarization and frequency: case study in quantum cryptography

    Science.gov (United States)

    Myers, John M.

    2005-08-01

    With the recognition of a logical gap between experiments and equations of quantum mechanics comes: (1) a chance to clarify such purely mathematical entities as probabilities, density operators, and partial traces-separated out from the choices and judgments necessary to apply them to describing experiments with devices, and (2) an added freedom to invent equations by which to model devices, stemming from the corresponding freedom in interpreting how these equations connect to experiments. Here I apply a few of these clarifications and freedoms to model polarization-entangled light pulses called for in quantum key distribution (QKD). Available light pulses are entangled not only in polarization but also in frequency. Although absent from the simplified models that initiated QKD, the degree of frequency entanglement of polarization-entangled light pulses is shown to affect the amount of key that can be distilled from raw light signals, in one case by a factor of 4/3. Open questions remain, because QKD brings concepts of quantum decision theory, such as measures of distinguishability, mostly worked out in the context of finite-dimensional vector spaces, into contact with infinite-dimensional Hilbert spaces needed to give expression to optical frequency spectra.

  20. Photometry and Multipolar Magnetic Field Modeling of Polars: BY Camelopardalis and FL Ceti

    Directory of Open Access Journals (Sweden)

    P. A. Mason

    2015-02-01

    Full Text Available We present new broad band optical photometry of two magnetic cataclysmic variable stars, the asynchronous polar BY Camelopardalis and the short period polar FL Ceti. Observations were obtained at the 2.1-m Otto Struve Telescope of McDonald Observatory with 3s and 1s integration times respectively. In an attempt to understand the observed complex changes in accretion flow geometry observed in BY Cam, we performed full 3D MHD simulations assuming a variety of white dwarf magnetic field structures. We investigate fields with increasing complexity including both aligned and non-aligned dipole plus quadrupole field components. We compare model predictions with photometry at various phases of the beat cycle and find that synthetic light curves derived from a multipolar field structure are broadly consistent with optical photometry. FL Ceti is observed to have two very small accretion regions at the foot-points of the white dwarf’s magnetic field. Both accretion regions are visible at the same time in the high state and are about 100 degrees apart. MHD modeling using a dipole plus quadrupole field structure yields quite similar accretion regions as those observed in FL Ceti. We conclude that accretion flows calculated from MHD modeling of multi-polar magnetic fields produce synthetic light curves consistent with photometry of these magnetic cataclysmic variables.

  1. Two electric field Monte Carlo models of coherent backscattering of polarized light.

    Science.gov (United States)

    Doronin, Alexander; Radosevich, Andrew J; Backman, Vadim; Meglinski, Igor

    2014-11-01

    Modeling of coherent polarized light propagation in turbid scattering medium by the Monte Carlo method provides an ultimate understanding of coherent effects of multiple scattering, such as enhancement of coherent backscattering and peculiarities of laser speckle formation in dynamic light scattering (DLS) and optical coherence tomography (OCT) diagnostic modalities. In this report, we consider two major ways of modeling the coherent polarized light propagation in scattering tissue-like turbid media. The first approach is based on tracking transformations of the electric field along the ray propagation. The second one is developed in analogy to the iterative procedure of the solution of the Bethe-Salpeter equation. To achieve a higher accuracy in the results and to speed up the modeling, both codes utilize the implementation of parallel computing on NVIDIA Graphics Processing Units (GPUs) with Compute Unified Device Architecture (CUDA). We compare these two approaches through simulations of the enhancement of coherent backscattering of polarized light and evaluate the accuracy of each technique with the results of a known analytical solution. The advantages and disadvantages of each computational approach and their further developments are discussed. Both codes are available online and are ready for immediate use or download.

  2. Continuum limit and improved action in lattice theories II O(N) nonlinear sigma model in perturbation theory

    International Nuclear Information System (INIS)

    Symanzik, K.

    1983-04-01

    The method of paper I of this series is applied to the O(N) nonlinear sigma model. Due to use of non-manifestly-invariant perturbation theory the improvement part of the action, computed explicitly to one-loop order, is not manifestly O(N) invariant. It can be brought into manifestly O(N) invariant form by use of linear identities among dimension-four operators, which follow from the field equations of the unimproved action. The adequacy of the resulting two-parameter family of manifestly O(N) invariant improved actions is verified to one-loop order. (orig.)

  3. Two-Phase Acto-Cytosolic Fluid Flow in a Moving Keratocyte: A 2D Continuum Model.

    Science.gov (United States)

    Nikmaneshi, M R; Firoozabadi, B; Saidi, M S

    2015-09-01

    The F-actin network and cytosol in the lamellipodia of crawling cells flow in a centripetal pattern and spout-like form, respectively. We have numerically studied this two-phase flow in the realistic geometry of a moving keratocyte. Cytosol has been treated as a low viscosity Newtonian fluid flowing through the high viscosity porous medium of F-actin network. Other involved phenomena including myosin activity, adhesion friction, and interphase interaction are also discussed to provide an overall view of this problem. Adopting a two-phase coupled model by myosin concentration, we have found new accurate perspectives of acto-cytosolic flow and pressure fields, myosin distribution, as well as the distribution of effective forces across the lamellipodia of a keratocyte with stationary shape. The order of magnitude method is also used to determine the contribution of forces in the internal dynamics of lamellipodia.

  4. 3-D Forward modeling of Induced Polarization Effects of Transient Electromagnetic Method

    Science.gov (United States)

    Wu, Y.; Ji, Y.; Guan, S.; Li, D.; Wang, A.

    2017-12-01

    In transient electromagnetic (TEM) detection, Induced polarization (IP) effects are so important that they cannot be ignored. The authors simulate the three-dimensional (3-D) induced polarization effects in time-domain directly by applying the finite-difference time-domain method (FDTD) based on Cole-Cole model. Due to the frequency dispersion characteristics of the electrical conductivity, the computations of convolution in the generalized Ohm's law of fractional order system makes the forward modeling particularly complicated. Firstly, we propose a method to approximate the fractional order function of Cole-Cole model using a lower order rational transfer function based on error minimum theory in the frequency domain. In this section, two auxiliary variables are introduced to transform nonlinear least square fitting problem of the fractional order system into a linear programming problem, thus avoiding having to solve a system of equations and nonlinear problems. Secondly, the time-domain expression of Cole-Cole model is obtained by using Inverse Laplace transform. Then, for the calculation of Ohm's law, we propose an e-index auxiliary equation of conductivity to transform the convolution to non-convolution integral; in this section, the trapezoid rule is applied to compute the integral. We then substitute the recursion equation into Maxwell's equations to derive the iterative equations of electromagnetic field using the FDTD method. Finally, we finish the stimulation of 3-D model and evaluate polarization parameters. The results are compared with those obtained from the digital filtering solution of the analytical equation in the homogeneous half space, as well as with the 3-D model results from the auxiliary ordinary differential equation method (ADE). Good agreements are obtained across the three methods. In terms of the 3-D model, the proposed method has higher efficiency and lower memory requirements as execution times and memory usage were reduced by 20

  5. Correlates of biological soil crust abundance across a continuum of spatial scales: Support for a hierarchical conceptual model

    Science.gov (United States)

    Bowker, M.A.; Belnap, J.; Davidson, D.W.; Goldstein, H.

    2006-01-01

    1. Desertification negatively impacts a large proportion of the global human population and > 30% of the terrestrial land surface. Better methods are needed to detect areas that are at risk of desertification and to ameliorate desertified areas. Biological soil crusts are an important soil lichen-moss-microbial community that can be used toward these goals, as (i) bioindicators of desertification damage and (ii) promoters of soil stability and fertility. 2. We identified environmental factors that correlate with soil crust occurrence on the landscape and might be manipulated to assist recovery of soil crusts in degraded areas. We conducted three studies on the Colorado Plateau, USA, to investigate the hypotheses that soil fertility [particularly phosphorus (P), manganese (Mn) and zinc (Zn)] and/or moisture limit soil crust lichens and mosses at four spatial scales. 3. In support of the soil fertility hypothesis, we found that lichen-moss crusts were positively correlated with several nutrients [Mn, Zn, potassium (K) and magnesium (Mg) were most consistent] at three of four spatial scales ranging from 3.5 cm2 in area to c. 800 km2. In contrast, P was negatively correlated with lichen-moss crusts at three scales. 4. Community composition varied with micro-aspect on ridges in the soil crust. Three micro-aspects [north-north-west (NNW), east-north-east (ENE) and TOP] supported greater lichen and moss cover than the warmer, windward and more xeric micro-aspects [west-south-west (WSW) and south-south-east (SSE)]. This pattern was poorly related to soil fertility; rather, it was consistent with the moisture limitation hypothesis. 5. Synthesis and application. Use of crusts as desertification bioindicators requires knowledge of a site's potential for crust cover in the absence of desertification. We present a multi-scale model of crust potential as a function of site properties. Future quantitative studies can use this model to guide sampling efforts. Also, our results

  6. Classical and quantum theories of the polarization bremsstrahlung in the local electron density model

    International Nuclear Information System (INIS)

    Astapenko, V.A.; Bureeva, L.A.; Lisitsa, V.S.

    2000-01-01

    Classical and quantum theories of polarization bremsstrahlung in a statistical (Thomas-Fermi) potential of complex atoms and ions are developed. The basic assumptions of the theories correspond to the approximations employed earlier in classical and quantum calculations of ordinary bremsstrahlung in a static potential. This makes it possible to study on a unified basis the contribution of both channels in the radiation taking account of their interference. The classical model makes it possible to obtain simple universal formulas for the spectral characteristics of the radiation. The theory is applied to electrons with moderate energies, which are characteristic for plasma applications, specifically, radiation from electrons on the argon-like ion KII at frequencies close to its ionization potential. The computational results show the importance of taking account of the polarization channel of the radiation for plasma with heavy ions

  7. Prediction of thermal conductivity for irradiated SiC/SiC composites by informing continuum models with molecular dynamics data

    Science.gov (United States)

    Nguyen, Ba Nghiep; Gao, Fei; Henager, Charles H.; Kurtz, Richard J.

    2014-05-01

    This article proposes a new method to estimate the thermal conductivity of SiC/SiC composites subjected to neutron irradiation. The modeling method bridges different scales from the atomic scale to the scale of a 2D SiC/SiC composite. First, it computes the irradiation-induced point defects in perfect crystalline SiC using molecular dynamics (MD) simulations to compute the defect thermal resistance as a function of vacancy concentration and irradiation dose. The concept of defect thermal resistance is explored explicitly in the MD data using vacancy concentrations and thermal conductivity decrements due to phonon scattering. Point defect-induced swelling for chemical vapor deposited (CVD) SiC as a function of irradiation dose is approximated by scaling the corresponding MD results for perfect crystal β-SiC to experimental data for CVD-SiC at various temperatures. The computed thermal defect resistance, thermal conductivity as a function of grain size, and definition of defect thermal resistance are used to compute the thermal conductivities of CVD-SiC, isothermal chemical vapor infiltrated (ICVI) SiC and nearly-stoichiometric SiC fibers. The computed fiber and ICVI-SiC matrix thermal conductivities are then used as input for an Eshelby-Mori-Tanaka approach to compute the thermal conductivities of 2D SiC/SiC composites subjected to neutron irradiation within the same irradiation doses. Predicted thermal conductivities for an irradiated Tyranno-SA/ICVI-SiC composite are found to be comparable to available experimental data for a similar composite ICVI-processed with these fibers.

  8. Simulating polar bear energetics during a seasonal fast using a mechanistic model.

    Directory of Open Access Journals (Sweden)

    Paul D Mathewson

    Full Text Available In this study we tested the ability of a mechanistic model (Niche Mapper™ to accurately model adult, non-denning polar bear (Ursus maritimus energetics while fasting during the ice-free season in the western Hudson Bay. The model uses a steady state heat balance approach, which calculates the metabolic rate that will allow an animal to maintain its core temperature in its particular microclimate conditions. Predicted weight loss for a 120 day fast typical of the 1990s was comparable to empirical studies of the population, and the model was able to reach a heat balance at the target metabolic rate for the entire fast, supporting use of the model to explore the impacts of climate change on polar bears. Niche Mapper predicted that all but the poorest condition bears would survive a 120 day fast under current climate conditions. When the fast extended to 180 days, Niche Mapper predicted mortality of up to 18% for males. Our results illustrate how environmental conditions, variation in animal properties, and thermoregulation processes may impact survival during extended fasts because polar bears were predicted to require additional energetic expenditure for thermoregulation during a 180 day fast. A uniform 3°C temperature increase reduced male mortality during a 180 day fast from 18% to 15%. Niche Mapper explicitly links an animal's energetics to environmental conditions and thus can be a valuable tool to help inform predictions of climate-related population changes. Since Niche Mapper is a generic model, it can make energetic predictions for other species threatened by climate change.

  9. Simulating polar bear energetics during a seasonal fast using a mechanistic model.

    Science.gov (United States)

    Mathewson, Paul D; Porter, Warren P

    2013-01-01

    In this study we tested the ability of a mechanistic model (Niche Mapper™) to accurately model adult, non-denning polar bear (Ursus maritimus) energetics while fasting during the ice-free season in the western Hudson Bay. The model uses a steady state heat balance approach, which calculates the metabolic rate that will allow an animal to maintain its core temperature in its particular microclimate conditions. Predicted weight loss for a 120 day fast typical of the 1990s was comparable to empirical studies of the population, and the model was able to reach a heat balance at the target metabolic rate for the entire fast, supporting use of the model to explore the impacts of climate change on polar bears. Niche Mapper predicted that all but the poorest condition bears would survive a 120 day fast under current climate conditions. When the fast extended to 180 days, Niche Mapper predicted mortality of up to 18% for males. Our results illustrate how environmental conditions, variation in animal properties, and thermoregulation processes may impact survival during extended fasts because polar bears were predicted to require additional energetic expenditure for thermoregulation during a 180 day fast. A uniform 3°C temperature increase reduced male mortality during a 180 day fast from 18% to 15%. Niche Mapper explicitly links an animal's energetics to environmental conditions and thus can be a valuable tool to help inform predictions of climate-related population changes. Since Niche Mapper is a generic model, it can make energetic predictions for other species threatened by climate change.

  10. Accurate Theoretical Methane Line Lists in the Infrared up to 3000 K and Quasi-continuum Absorption/Emission Modeling for Astrophysical Applications

    Energy Technology Data Exchange (ETDEWEB)

    Rey, Michael; Tyuterev, Vladimir G. [Groupe de Spectrométrie Moléculaire et Atmosphérique, UMR CNRS 7331, BP 1039, F-51687, Reims Cedex 2 (France); Nikitin, Andrei V., E-mail: michael.rey@univ-reims.fr [Laboratory of Theoretical Spectroscopy, Institute of Atmospheric Optics, SB RAS, 634055 Tomsk (Russian Federation)

    2017-10-01

    Modeling atmospheres of hot exoplanets and brown dwarfs requires high- T databases that include methane as the major hydrocarbon. We report a complete theoretical line list of {sup 12}CH{sub 4} in the infrared range 0–13,400 cm{sup −1} up to T {sub max} = 3000 K computed via a full quantum-mechanical method from ab initio potential energy and dipole moment surfaces. Over 150 billion transitions were generated with the lower rovibrational energy cutoff 33,000 cm{sup −1} and intensity cutoff down to 10{sup −33} cm/molecule to ensure convergent opacity predictions. Empirical corrections for 3.7 million of the strongest transitions permitted line position accuracies of 0.001–0.01 cm{sup −1}. Full data are partitioned into two sets. “Light lists” contain strong and medium transitions necessary for an accurate description of sharp features in absorption/emission spectra. For a fast and efficient modeling of quasi-continuum cross sections, billions of tiny lines are compressed in “super-line” libraries according to Rey et al. These combined data will be freely accessible via the TheoReTS information system (http://theorets.univ-reims.fr, http://theorets.tsu.ru), which provides a user-friendly interface for simulations of absorption coefficients, cross-sectional transmittance, and radiance. Comparisons with cold, room, and high- T experimental data show that the data reported here represent the first global theoretical methane lists suitable for high-resolution astrophysical applications.

  11. Geomagnetic polarity reversals as a mechanism for the punctuated equilibrium model of biological evolution

    International Nuclear Information System (INIS)

    Welsh, J.S.; Welsh, A.L.; Welsh, W.F.

    2003-01-01

    In contrast to what is predicted by classical Darwinian theory (phyletic gradualism), the fossil record typically displays a pattern of relatively sudden, dramatic changes as detailed by Eldregde and Gould's model of punctuated equilibrium. Evolutionary biologists have been at a loss to explain the ultimate source of the new mutations that drive evolution. One hypothesis holds that the abrupt speciation seen in the punctuated equilibrium model is secondary to an increased mutation rate resulting from periodically increased levels of ionizing radiation on the Earth's surface. Sporadic geomagnetic pole reversals, occurring every few million years on the average, are accompanied by alterations in the strength of the Earth's magnetic field and magnetosphere. This diminution may allow charged cosmic radiation to bombard Earth with less attenuation, thereby resulting in increased mutation rates. This episodic fluctuation in the magnetosphere is an attractive mechanism for the observed fossil record. Selected periods and epochs of geologic history for which data was available were reviewed for both geomagnetic pole reversal history and fossil record. Anomalies in either were scrutinized in greater depth and correlations were made. A 35 million year span (118-83 Ma) was identified during the Early/Middle Cretaceous period that was devoid of geomagnetic polarity reversals(the Cretaceous normal superchron). Examination of the fossil record (including several invertebrate and vertebrate taxons) during the Cretaceous normal superchron does not reveal any significant gap or slowing of speciation. Although increased terrestrial radiation exposure due to a diminution of the Earth's magnetosphere caused by a reversal of geomagnetic polarity is an attractive explanation for the mechanism of punctuated equilibrium, our investigation suggests that such polarity reversals cannot fully provide the driving force behind biological evolution. Further research is required to determine if

  12. Continuum gauge theories

    International Nuclear Information System (INIS)

    Stora, R.

    1976-09-01

    The mathematics of gauge fields and some related concepts are discussed: some corrections on the principal fiber bundles emphasize the idea that the present formulation of continuum theories is incomplete. The main ingredients used through the construction of the renormalized perturbation series are then described: the Faddeev Popov argument, and the Faddeev Popov Lagrangian; the Slavnov symmetry and the nature of the Faddeev Popov ghost fields; the Slavnov identity, with an obstruction: the Adler Bardeen anomaly, and its generalization to the local cohomology of the gauge Lie algebra. Some smooth classical configurations of gauge fields which ought to play a prominent role in the evaluation of the functional integral describing the theory are also reviewed

  13. Textile solar light collectors based on models for polar bear hair

    Energy Technology Data Exchange (ETDEWEB)

    Bahners, Thomas; Schlosser, Uwe; Schollmeyer, Eckhard [Deutsches Textilforschungszentrum Nord-West e.V., Adlerstr. 1, D-47798 Krefeld (Germany); Gutmann, Rainer [Institut fuer Textilchemie und Chemiefasern, Koerschtalstr. 26, D-73770 Denkendorf (Germany)

    2008-12-15

    Concepts of technical fibers following models for the polar bear hair to be used for textile solar collectors are discussed. The approach to coat fibers with a thin layer into which fluorescent dyestuff was dispersed was studied experimentally. Modified fibers made of different polymers were characterized with respect to optical properties relevant for the bionic model. In the case of poly(methylmethacrylate) fibers, the envisaged effect could be achieved to high efficiency. The optical performance could be enhanced by ultrasonic dispersion of the dyestuff in the coating matrix. The effect is less significant in semi-crystalline fibers such as poly(ethylene terephthalate), which is attributed to diffuse scattering. (author)

  14. Free energy functionals for polarization fluctuations: Pekar factor revisited.

    Science.gov (United States)

    Dinpajooh, Mohammadhasan; Newton, Marshall D; Matyushov, Dmitry V

    2017-02-14

    The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. Within dielectric continuum models, this separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom. The main qualitative prediction of Pekar's perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parameter accounting for the solvent effect on electron transfer. Here, we study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from the simulations is numerically close to the Pekar factor. However, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found in the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).

  15. Free energy functionals for polarization fluctuations: Pekar factor revisited

    International Nuclear Information System (INIS)

    Dinpajooh, Mohammadhasan; Newton, Marshall D.; Matyushov, Dmitry V.

    2017-01-01

    The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. This separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom, within dielectric continuum models. The main qualitative prediction of Pekar’s perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parameter accounting for the solvent effect on electron transfer. We study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from the simulations is numerically close to the Pekar factor. But, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found in the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).

  16. ORCHILEAK (revision 3875): a new model branch to simulate carbon transfers along the terrestrial-aquatic continuum of the Amazon basin

    Science.gov (United States)

    Lauerwald, Ronny; Regnier, Pierre; Camino-Serrano, Marta; Guenet, Bertrand; Guimberteau, Matthieu; Ducharne, Agnès; Polcher, Jan; Ciais, Philippe

    2017-10-01

    Lateral transfer of carbon (C) from terrestrial ecosystems into the inland water network is an important component of the global C cycle, which sustains a large aquatic CO2 evasion flux fuelled by the decomposition of allochthonous C inputs. Globally, estimates of the total C exports through the terrestrial-aquatic interface range from 1.5 to 2.7 Pg C yr-1 (Cole et al., 2007; Battin et al., 2009; Tranvik et al., 2009), i.e. of the order of 2-5 % of the terrestrial NPP. Earth system models (ESMs) of the climate system ignore these lateral transfers of C, and thus likely overestimate the terrestrial C sink. In this study, we present the implementation of fluvial transport of dissolved organic carbon (DOC) and CO2 into ORCHIDEE (Organising Carbon and Hydrology in Dynamic Ecosystems), the land surface scheme of the Institut Pierre-Simon Laplace ESM. This new model branch, called ORCHILEAK, represents DOC production from canopy and soils, DOC and CO2 leaching from soils to streams, DOC decomposition, and CO2 evasion to the atmosphere during its lateral transport in rivers, as well as exchange with the soil carbon and litter stocks on floodplains and in swamps. We parameterized and validated ORCHILEAK for the Amazon basin, the world's largest river system with regard to discharge and one of the most productive ecosystems in the world. With ORCHILEAK, we are able to reproduce observed terrestrial and aquatic fluxes of DOC and CO2 in the Amazon basin, both in terms of mean values and seasonality. In addition, we are able to resolve the spatio-temporal variability in C fluxes along the canopy-soil-water continuum at high resolution (1°, daily) and to quantify the different terrestrial contributions to the aquatic C fluxes. We simulate that more than two-thirds of the Amazon's fluvial DOC export are contributed by the decomposition of submerged litter. Throughfall DOC fluxes from canopy to ground are about as high as the total DOC inputs to inland waters. The latter

  17. Zebrafish models of non-canonical Wnt/planar cell polarity signalling: fishing for valuable insight into vertebrate polarized cell behavior.

    Science.gov (United States)

    Jussila, Maria; Ciruna, Brian

    2017-05-01

    Planar cell polarity (PCP) coordinates the uniform orientation, structure and movement of cells within the plane of a tissue or organ system. It is beautifully illustrated in the polarized arrangement of bristles and hairs that project from specialized cell surfaces of the insect abdomen and wings, and pioneering genetic studies using the fruit fly, Drosophila melanogaster, have defined a core signalling network underlying PCP. This core PCP/non-canonical Wnt signalling pathway is evolutionarily conserved, and studies in zebrafish have helped transform our understanding of PCP from a peculiarity of polarized epithelia to a more universal cellular property that orchestrates a diverse suite of polarized cell behaviors that are required for normal vertebrate development. Furthermore, application of powerful genetics, embryonic cell-transplantation, and live-imaging capabilities afforded by the zebrafish model have yielded novel insights into the establishment and maintenance of vertebrate PCP, over the course of complex and dynamic morphogenetic events like gastrulation and neural tube morphogenesis. Although key questions regarding vertebrate PCP remain, with the emergence of new genome-editing technologies and the promise of endogenous labeling and Cre/LoxP conditional targeting strategies, zebrafish remains poised to deliver fundamental new insights into the function and molecular dynamic regulation of PCP signalling from embryonic development through to late-onset phenotypes and adult disease states. WIREs Dev Biol 2017, 6:e267. doi: 10.1002/wdev.267 For further resources related to this article, please visit the WIREs website. © 2017 Wiley Periodicals, Inc.

  18. A model of polarized-beam AGS in the ray-tracing code Zgoubi

    Energy Technology Data Exchange (ETDEWEB)

    Meot, F. [Brookhaven National Lab. (BNL), Upton, NY (United States); Ahrens, L. [Brookhaven National Lab. (BNL), Upton, NY (United States); Brown, K. [Brookhaven National Lab. (BNL), Upton, NY (United States); Dutheil, Y. [Brookhaven National Lab. (BNL), Upton, NY (United States); Glenn, J. [Brookhaven National Lab. (BNL), Upton, NY (United States); Huang, H. [Brookhaven National Lab. (BNL), Upton, NY (United States); Roser, T. [Brookhaven National Lab. (BNL), Upton, NY (United States); Shoefer, V. [Brookhaven National Lab. (BNL), Upton, NY (United States); Tsoupas, N. [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2016-07-12

    A model of the Alternating Gradient Synchrotron, based on the AGS snapramps, has been developed in the stepwise ray-tracing code Zgoubi. It has been used over the past 5 years in a number of accelerator studies aimed at enhancing RHIC proton beam polarization. It is also used to study and optimize proton and Helion beam polarization in view of future RHIC and eRHIC programs. The AGS model in Zgoubi is operational on-line via three different applications, ’ZgoubiFromSnaprampCmd’, ’AgsZgoubiModel’ and ’AgsModelViewer’, with the latter two essentially interfaces to the former which is the actual model ’engine’. All three commands are available from the controls system application launcher in the AGS ’StartUp’ menu, or from eponymous commands on shell terminals. Main aspects of the model and of its operation are presented in this technical note, brief excerpts from various studies performed so far are given for illustration, means and methods entering in ZgoubiFromSnaprampCmd are developed further in appendix.

  19. Modeling induced polarization effects in helicopter time domain electromagnetic data: Synthetic case studies

    DEFF Research Database (Denmark)

    Viezzoli, Andrea; Kaminskiy, Vladislav; Fiandaca, Gianluca

    2017-01-01

    We have developed a synthetic multiparametric modeling and inversion exercise undertaken to study the robustness of inverting airborne time-domain electromagnetic (TDEM) data to extract Cole-Cole parameters. The following issues were addressed: nonuniqueness, ill posedness, dependency on manual...... constrained multiparametric inversion was evaluated, including recovery of chargeability distributions from shallow and deep targets based on analysis of induced polarization (IP) effects, simulated in airborne TDEM data. Different scenarios were studied, including chargeable targets associated...... by a shallower chargeable target, became possible only when full Cole-Cole modeling was used in the inversion. Lateral constraints improved the recoverability of model parameters. Finally, modeling IP effects increased the accuracy of recovered electrical resistivity models....

  20. Stability of superfluid phases in the 2D spin-polarized attractive Hubbard model

    Science.gov (United States)

    Kujawa-Cichy, A.; Micnas, R.

    2011-08-01

    We study the evolution from the weak coupling (BCS-like limit) to the strong coupling limit of tightly bound local pairs (LPs) with increasing attraction, in the presence of the Zeeman magnetic field (h) for d=2, within the spin-polarized attractive Hubbard model. The broken symmetry Hartree approximation as well as the strong coupling expansion are used. We also apply the Kosterlitz-Thouless (KT) scenario to determine the phase coherence temperatures. For spin-independent hopping integrals (t↑=t↓), we find no stable homogeneous polarized superfluid (SCM) state in the ground state for the strong attraction and obtain that for a two-component Fermi system on a 2D lattice with population imbalance, phase separation (PS) is favoured for a fixed particle concentration, even on the LP (BEC) side. We also examine the influence of spin-dependent hopping integrals (mass imbalance) on the stability of the SCM phase. We find a topological quantum phase transition (Lifshitz type) from the unpolarized superfluid phase (SC0) to SCM and tricritical points in the h-|U| and t↑/t↓-|U| ground-state phase diagrams. We also construct the finite temperature phase diagrams for both t↑=t↓ and t↑≠t↓ and analyze the possibility of occurrence of a spin-polarized KT superfluid.

  1. Continuum robots and underactuated grasping

    Directory of Open Access Journals (Sweden)

    N. Giri

    2011-02-01

    Full Text Available We discuss the capabilities of continuum (continuous backbone robot structures in the performance of under-actuated grasping. Continuum robots offer the potential of robust grasps over a wide variety of object classes, due to their ability to adapt their shape to interact with the environment via non-local continuum contact conditions. Furthermore, this capability can be achieved with simple, low degree of freedom hardware. However, there are practical issues which currently limit the application of continuum robots to grasping. We discuss these issues and illustrate via an experimental continuum grasping case study.

    This paper was presented at the IFToMM/ASME International Workshop on Underactuated Grasping (UG2010, 19 August 2010, Montréal, Canada.

  2. Continuum limbed robots for locomotion

    Science.gov (United States)

    Mutlu, Alper

    This thesis focuses on continuum robots based on pneumatic muscle technology. We introduce a novel approach to use these muscles as limbs of lightweight legged robots. The flexibility of the continuum legs of these robots offers the potential to perform some duties that are not possible with classical rigid-link robots. Potential applications are as space robots in low gravity, and as cave explorer robots. The thesis covers the fabrication process of continuum pneumatic muscles and limbs. It also provides some new experimental data on this technology. Afterwards, the designs of two different novel continuum robots - one tripod, one quadruped - are introduced. Experimental data from tests using the robots is provided. The experimental results are the first published example of locomotion with tripod and quadruped continuum legged robots. Finally, discussion of the results and how far this technology can go forward is presented.

  3. Continuum mechanics of anisotropic materials

    CERN Document Server

    Cowin, Stephen C

    2013-01-01

    Continuum Mechanics of Anisotropic Materials(CMAM) presents an entirely new and unique development of material anisotropy in the context of an appropriate selection and organization of continuum mechanics topics. These features will distinguish this continuum mechanics book from other books on this subject. Textbooks on continuum mechanics are widely employed in engineering education, however, none of them deal specifically with anisotropy in materials. For the audience of Biomedical, Chemical and Civil Engineering students, these materials will be dealt with more frequently and greater accuracy in their analysis will be desired. Continuum Mechanics of Anisotropic Materials' author has been a leader in the field of developing new approaches for the understanding of anisotropic materials.

  4. Polar cap patches observed during the magnetic storm of November 2003: observations and modeling

    Directory of Open Access Journals (Sweden)

    C. E. Valladares

    2015-09-01

    Full Text Available We present multi-instrumented measurements and multi-technique analysis of polar cap patches observed early during the recovery phase of the major magnetic storm of 20 November 2003 to investigate the origin of the polar cap patches. During this event, the Qaanaaq imager observed elongated polar cap patches, some of which containing variable brightness; the Qaanaaq digisonde detected abrupt NmF2 fluctuations; the Sondrestrom incoherent scatter radar (ISR measured patches placed close to but poleward of the auroral oval–polar cap boundary; and the DMSP-F13 satellite intersected topside density enhancements, corroborating the presence of the patches seen by the imager, the digisonde, and the Sondrestrom ISR. A 2-D cross-correlation analysis was applied to series of two consecutive red-line images, indicating that the magnitude and direction of the patch velocities were in good agreement with the SuperDARN convection patterns. We applied a back-tracing analysis to the patch locations and found that most of the patches seen between 20:41 and 21:29 UT were likely transiting the throat region near 19:41 UT. Inspection of the SuperDARN velocities at this time indicates spatial and temporal collocation of a gap region between patches and large (1.7 km s−1 line-of-sight velocities. The variable airglow brightness of the patches observed between 20:33 and 20:43 UT was investigated using the numerical Global Theoretical Ionospheric Model (GTIM driven by the SuperDARN convection patterns and a variable upward/downward neutral wind. Our numerical results indicate that variations in the airglow intensity up to 265 R can be produced by a constant 70 m s−1 downward vertical wind.

  5. CHARACTERISTIC FEATURES OF MUELLER MATRIX PATTERNS FOR POLARIZATION SCATTERING MODEL OF BIOLOGICAL TISSUES

    Directory of Open Access Journals (Sweden)

    E DU

    2014-01-01

    Full Text Available We developed a model to describe polarized photon scattering in biological tissues. In this model, tissues are simplified to a mixture of scatterers and surrounding medium. There are two types of scatterers in the model: solid spheres and infinitely long solid cylinders. Variables related to the scatterers include: the densities and sizes of the spheres and cylinders, the orientation and angular distribution of cylinders. Variables related to the surrounding medium include: the refractive index, absorption coefficient and birefringence. In this paper, as a development we introduce an optical activity effect to the model. By comparing experiments and Monte Carlo simulations, we analyze the backscattering Mueller matrix patterns of several tissue-like media, and summarize the different effects coming from anisotropic scattering and optical properties. In addition, we propose a possible method to extract the optical activity values for tissues. Both the experimental and simulated results show that, by analyzing the Mueller matrix patterns, the microstructure and optical properties of the medium can be obtained. The characteristic features of Mueller matrix patterns are potentially powerful tools for studying the contrast mechanisms of polarization imaging for medical diagnosis.

  6. Modeling self-organized spatio-temporal patterns of PIP₃ and PTEN during spontaneous cell polarization.

    Science.gov (United States)

    Knoch, Fabian; Tarantola, Marco; Bodenschatz, Eberhard; Rappel, Wouter-Jan

    2014-08-01

    During spontaneous cell polarization of Dictyostelium discoideum cells, phosphatidylinositol (3,4,5)-triphoshpate (PIP3) and PTEN (phosphatase tensin homolog) have been identified as key signaling molecules which govern the process of polarization in a self-organized manner. Recent experiments have quantified the spatio-temporal dynamics of these signaling components. Surprisingly, it was found that membrane-bound PTEN can be either in a high or low state, that PIP3 waves were initiated in areas lacking PTEN through an excitable mechanism, and that PIP3 was degraded even though the PTEN concentration remained low. Here we develop a reaction-diffusion model that aims to explain these experimental findings. Our model contains bistable dynamics for PTEN, excitable dynamics for PIP3, and postulates the existence of two species of PTEN with different dephosphorylation rates. We show that our model is able to produce results that are in good qualitative agreement with the experiments, suggesting that our reaction-diffusion model underlies the self-organized spatio-temporal patterns observed in experiments.

  7. Generalized form of boundary value problems method for material modeled as micro-polar media subjecting to the thermo-mechanical interaction

    Science.gov (United States)

    Zhang, Xiaomin; Zhang, Long; Chu, Zhongxiang; Peng, Song

    2016-09-01

    In this paper, the periodic structure material is modeled as the continuum homogeneous micro-polar media subjecting to thermo-mechanical interaction. Meanwhile, a series of equivalent quantities such as the equivalent stress, couple stress, displacement gradient and torsion tensor were defined by the integral forms of the boundary values of the external surface force, moment, displacement and the angular displacement, and were proved to satisfy the equivalence conditions of virtual work. Based on above works, the displacement boundary value problem was established to deduce the equivalent constitutive equation. Assume the representative volume element is composed of the spatial cross-framework, and applying the boundary value problem of displacement on frame structures, the equivalent elastic coefficients, temperature coefficients of equivalent stress and the temperature gradient coefficients of equivalent couple stress are deduced. In addition, themethod can also be extended to the stress boundary value problem to deduce the equivalent constitutive equation. The calculations indicate that the equivalent result can be obtained from the two kinds of boundary value problems.

  8. Modeling the adiabatic creation of ultracold polar 23Na40K molecules

    Science.gov (United States)

    Seeßelberg, Frauke; Buchheim, Nikolaus; Lu, Zhen-Kai; Schneider, Tobias; Luo, Xin-Yu; Tiemann, Eberhard; Bloch, Immanuel; Gohle, Christoph

    2018-01-01

    In this work we model and realize stimulated Raman adiabatic passage (STIRAP) in the diatomic 23Na40K molecule from weakly bound Feshbach molecules to the rovibronic ground state via the |vd=5 ,J =Ω =1 〉 excited state in the d3Π electronic potential. We demonstrate how to set up a quantitative model for polar molecule production by taking into account the rich internal structure of the molecules and the coupling laser phase noise. We find excellent agreement between the model predictions and the experiment, demonstrating the applicability of the model in the search for an ideal STIRAP transfer path. In total we produce 5000 fermionic ground-state molecules. The typical phase-space density of the sample is 0.03 and induced dipole moments of up to 0.54 D can be observed.

  9. Social judgment theory based model on opinion formation, polarization and evolution

    Science.gov (United States)

    Chau, H. F.; Wong, C. Y.; Chow, F. K.; Fung, Chi-Hang Fred

    2014-12-01

    The dynamical origin of opinion polarization in the real world is an interesting topic that physical scientists may help to understand. To properly model the dynamics, the theory must be fully compatible with findings by social psychologists on microscopic opinion change. Here we introduce a generic model of opinion formation with homogeneous agents based on the well-known social judgment theory in social psychology by extending a similar model proposed by Jager and Amblard. The agents’ opinions will eventually cluster around extreme and/or moderate opinions forming three phases in a two-dimensional parameter space that describes the microscopic opinion response of the agents. The dynamics of this model can be qualitatively understood by mean-field analysis. More importantly, first-order phase transition in opinion distribution is observed by evolving the system under a slow change in the system parameters, showing that punctuated equilibria in public opinion can occur even in a fully connected social network.

  10. Vacuum polarization and chiral lattice fermions

    International Nuclear Information System (INIS)

    Randjbar Daemi, S.; Strathdee, J.

    1995-09-01

    The vacuum polarization due to chiral fermions on a 4-dimensional Euclidean lattice is calculated according to the overlap prescription. The fermions are coupled to weak and slowly varying background gauge and Higgs fields, and the polarization tensor is given by second order perturbation theory. In this order the overlap constitutes a gauge invariant regularization of the fermion vacuum amplitude. Its low energy - long wavelength behaviour can be computed explicitly and we verify that it coincides with the Feynman graph result obtainable, for example, by dimensional regularization of continuum gauge theory. In particular, the Standard Model Callan-Symanzik, RG functions are recovered. Moreover, there are no residual lattice artefacts such as a dependence on Wilson-type mass parameters. (author). 16 refs

  11. Modeling Population-Level Consequences of Polychlorinated Biphenyl Exposure in East Greenland Polar Bears.

    Science.gov (United States)

    Pavlova, Viola; Grimm, Volker; Dietz, Rune; Sonne, Christian; Vorkamp, Katrin; Rigét, Frank F; Letcher, Robert J; Gustavson, Kim; Desforges, Jean-Pierre; Nabe-Nielsen, Jacob

    2016-01-01

    Polychlorinated biphenyls (PCBs) can cause endocrine disruption, cancer, immunosuppression, or reproductive failure in animals. We used an individual-based model to explore whether and how PCB-associated reproductive failure could affect the dynamics of a hypothetical polar bear (Ursus maritimus) population exposed to PCBs to the same degree as the East Greenland subpopulation. Dose-response data from experimental studies on a surrogate species, the mink (Mustela vision), were used in the absence of similar data for polar bears. Two alternative types of reproductive failure in relation to maternal sum-PCB concentrations were considered: increased abortion rate and increased cub mortality. We found that the quantitative impact of PCB-induced reproductive failure on population growth rate depended largely on the actual type of reproductive failure involved. Critical potencies of the dose-response relationship for decreasing the population growth rate were established for both modeled types of reproductive failure. Comparing the model predictions of the age-dependent trend of sum-PCBs concentrations in females with actual field measurements from East Greenland indicated that it was unlikely that PCB exposure caused a high incidence of abortions in the subpopulation. However, on the basis of this analysis, it could not be excluded that PCB exposure contributes to higher cub mortality. Our results highlight the necessity for further research on the possible influence of PCBs on polar bear reproduction regarding their physiological pathway. This includes determining the exact cause of reproductive failure, i.e., in utero exposure versus lactational exposure of offspring; the timing of offspring death; and establishing the most relevant reference metrics for the dose-response relationship.

  12. Model-free polarized neutron diffraction study of an acentric crystal: Metamagnetic UCoAl

    International Nuclear Information System (INIS)

    Papoular, R.J.; Delapalme, A.

    1994-01-01

    For the first time, a model-free procedure is developed to analyze polarized neutron diffraction data pertaining to acentric crystals. It consists of a two-step process, featuring first an effective flipping ratio and second a linear inverse problem. The latter is solved either by a new generalized inverse Fourier transform or by using maximum entropy. Using metamagnetic UCoAl as a test case, we find the following results: (i) the U and Co(2) moments increase with an applied magnetic field whereas the Co(1) moment remains almost constant, (ii) the U and Co(2) magnetic densities are weakly anisotropic

  13. Recombination of electrons with an anisotropic velocity distribution. Continuation of recombination continuum to series lines

    International Nuclear Information System (INIS)

    Fujimoto, Takashi; Imaida, Takashi

    1998-01-01

    For ions in recombination with electrons with directional motion, the recombination continuum to a J = 0 state is π polarized, and this polarization characteristic should continue across the ionization threshold down to the series lines. A Monte Carlo calculation has been performed for electron collisions on a classical atom in excited states. No evidence is found to support the above conclusion. (author)

  14. Dynamic exposure model analysis of continuous laser direct writing in Polar-coordinate

    Science.gov (United States)

    Zhang, Shan; Lv, Yingjun; Mao, Wenjie

    2018-01-01

    In order to exactly predict the continuous laser direct writing quality in Polar-coordinate, we take into consideration the effect of the photoresist absorbing beam energy, the Gaussian attribute of the writing beam and the dynamic exposure process, and establish a dynamic exposure model to describe the influence of the tangential velocity of the normal incident facular center and laser power on the line width and sidewall angle. Numerical simulation results indicate that while writing velocity remains unchanged, the line width and sidewall angle are all increased as the laser power increases; while laser power remains unchanged, the line width and sidewall angle are all decreased as the writing velocity increases; at the same time the line profile in the exposure section is asymmetry and the center of the line has tiny excursion toward the Polar-coordinate origin compared with the facular center. Then it is necessary to choose the right writing velocity and laser power to obtain the ideal line profile. The model makes up the shortcomings of traditional models that can only predict line width or estimate the profile of the writing line in the absence of photoresist absorption, and can be considered as an effect analysis method for optimizing the parameters of fabrication technique of laser direct writing.

  15. Elementary Continuum Mechanics for Everyone - And Some More

    DEFF Research Database (Denmark)

    Byskov, Esben

    Quite trivially, Continuum mechanics per se deals with the description of deformations of three-dimensional continua i.e. models whose properties are independent of scale in that the continuum does not possess a structure. Thus, continuum mechanics does not try to model the atomic structure...... of the involved materials- perhaps not even the crystalline or spongy, or lumpy structure- but offers a "smeared-out" version of the real world. Also, the desired description depends very much on the needs of the dicipline in question....

  16. Elementary Continuum Mechanics for Everyone - and Some More

    DEFF Research Database (Denmark)

    Byskov, Esben

    Quite trivially, Continuum mechanics per se deals with the description of deformations of three-dimensional continua i.e. models whose properties are independent of scale in that the continuum does not possess a structure. Thus, continuum mechanics does not try to model the atomic structure...... of the involved materials- perhaps not even the crystalline or spongy, or lumpy structure- but offers a "smeared-out" version of the real world. Also, the desired description depends very much on the needs of the discipline in question....

  17. Continuum mechanics using Mathematica fundamentals, methods, and applications

    CERN Document Server

    Romano, Antonio

    2014-01-01

    This textbook's methodological approach familiarizes readers with the mathematical tools required to correctly define and solve problems in continuum mechanics. Covering essential principles and fundamental applications, this second edition of Continuum Mechanics using Mathematica® provides a solid basis for a deeper study of more challenging and specialized problems related to nonlinear elasticity, polar continua, mixtures, piezoelectricity, ferroelectricity, magneto-fluid mechanics, and state changes (see A. Romano, A. Marasco, Continuum Mechanics: Advanced Topics and Research Trends, Springer (Birkhäuser), 2010, ISBN 978-0-8176-4869-5). Key topics and features: * Concise presentation strikes a balance between fundamentals and applications * Requisite mathematical background carefully collected in two introductory chapters and one appendix * Recent developments highlighted through coverage of more significant applications to areas such as wave propagation, fluid mechanics, porous media, linear elasticity....

  18. Continuum mechanics elasticity, plasticity, viscoelasticity

    CERN Document Server

    Dill, Ellis H

    2006-01-01

    FUNDAMENTALS OF CONTINUUM MECHANICSMaterial ModelsClassical Space-TimeMaterial BodiesStrainRate of StrainCurvilinear Coordinate SystemsConservation of MassBalance of MomentumBalance of EnergyConstitutive EquationsThermodynamic DissipationObjectivity: Invariance for Rigid MotionsColeman-Mizel ModelFluid MechanicsProblems for Chapter 1BibliographyNONLINEAR ELASTICITYThermoelasticityMaterial SymmetriesIsotropic MaterialsIncompressible MaterialsConjugate Measures of Stress and StrainSome Symmetry GroupsRate Formulations for Elastic MaterialsEnergy PrinciplesGeometry of Small DeformationsLinear ElasticitySpecial Constitutive Models for Isotropic MaterialsMechanical Restrictions on the Constitutive RelationsProblems for Chapter 2BibliographyLINEAR ELASTICITYBasic EquationsPlane StrainPlane StressProperties of SolutionsPotential EnergySpecial Matrix NotationThe Finite Element Method of SolutionGeneral Equations for an Assembly of ElementsFinite Element Analysis for Large DeformationsProblems for Chapter 3Bibliograph...

  19. Harvesting wildlife affected by climate change: a modelling and management approach for polar bears

    Science.gov (United States)

    Regehr, Eric V.; Wilson, Ryan R.; Rode, Karyn D.; Runge, Michael C.; Stern, Harry

    2017-01-01

    The conservation of many wildlife species requires understanding the demographic effects of climate change, including interactions between climate change and harvest, which can provide cultural, nutritional or economic value to humans.We present a demographic model that is based on the polar bear Ursus maritimus life cycle and includes density-dependent relationships linking vital rates to environmental carrying capacity (K). Using this model, we develop a state-dependent management framework to calculate a harvest level that (i) maintains a population above its maximum net productivity level (MNPL; the population size that produces the greatest net increment in abundance) relative to a changing K, and (ii) has a limited negative effect on population persistence.Our density-dependent relationships suggest that MNPL for polar bears occurs at approximately 0·69 (95% CI = 0·63–0·74) of K. Population growth rate at MNPL was approximately 0·82 (95% CI = 0·79–0·84) of the maximum intrinsic growth rate, suggesting relatively strong compensation for human-caused mortality.Our findings indicate that it is possible to minimize the demographic risks of harvest under climate change, including the risk that harvest will accelerate population declines driven by loss of the polar bear's sea-ice habitat. This requires that (i) the harvest rate – which could be 0 in some situations – accounts for a population's intrinsic growth rate, (ii) the harvest rate accounts for the quality of population data (e.g. lower harvest when uncertainty is large), and (iii) the harvest level is obtained by multiplying the harvest rate by an updated estimate of population size. Environmental variability, the sex and age of removed animals and risk tolerance can also affect the harvest rate.Synthesis and applications. We present a coupled modelling and management approach for wildlife that accounts for climate change and can be used to balance trade-offs among multiple

  20. Harvesting wildlife affected by climate change: a modelling and management approach for polar bears.

    Science.gov (United States)

    Regehr, Eric V; Wilson, Ryan R; Rode, Karyn D; Runge, Michael C; Stern, Harry L

    2017-10-01

    The conservation of many wildlife species requires understanding the demographic effects of climate change, including interactions between climate change and harvest, which can provide cultural, nutritional or economic value to humans.We present a demographic model that is based on the polar bear Ursus maritimus life cycle and includes density-dependent relationships linking vital rates to environmental carrying capacity ( K ). Using this model, we develop a state-dependent management framework to calculate a harvest level that (i) maintains a population above its maximum net productivity level (MNPL; the population size that produces the greatest net increment in abundance) relative to a changing K , and (ii) has a limited negative effect on population persistence.Our density-dependent relationships suggest that MNPL for polar bears occurs at approximately 0·69 (95% CI = 0·63-0·74) of K . Population growth rate at MNPL was approximately 0·82 (95% CI = 0·79-0·84) of the maximum intrinsic growth rate, suggesting relatively strong compensation for human-caused mortality.Our findings indicate that it is possible to minimize the demographic risks of harvest under climate change, including the risk that harvest will accelerate population declines driven by loss of the polar bear's sea-ice habitat. This requires that (i) the harvest rate - which could be 0 in some situations - accounts for a population's intrinsic growth rate, (ii) the harvest rate accounts for the quality of population data (e.g. lower harvest when uncertainty is large), and (iii) the harvest level is obtained by multiplying the harvest rate by an updated estimate of population size. Environmental variability, the sex and age of removed animals and risk tolerance can also affect the harvest rate. Synthesis and applications . We present a coupled modelling and management approach for wildlife that accounts for climate change and can be used to balance trade-offs among multiple conservation

  1. Polarized heavy baryon production in quark-diquark model considering two different scenarios

    Energy Technology Data Exchange (ETDEWEB)

    Moosavi Nejad, S.M. [Yazd University, Faculty of Physics, Yazd (Iran, Islamic Republic of); Institute for Research in Fundamental Sciences (IPM), School of Particles and Accelerators, Tehran (Iran, Islamic Republic of); Delpasand, M. [Yazd University, Faculty of Physics, Yazd (Iran, Islamic Republic of)

    2017-09-15

    At sufficiently large transverse momentum, the dominant production mechanism for heavy baryons is actually the fragmentation. In this work, we first study the direct fragmentation of a heavy quark into the unpolarized triply heavy baryons in the leading order of perturbative QCD. In a completely different approach, we also analyze the two-stage fragmentation of a heavy quark into a scalar diquark followed by the fragmentation of such a scalar diquark into a triply heavy baryon: quark-diquark model of baryons. The results of this model are in acceptable agreement with those obtained through a full perturbative regime. Relying on the quark-diquark model and considering two different scenarios we determine the spin-dependent fragmentation functions of polarized heavy baryons in such a way that a vector or a pseudoscalar heavy diquark is an intermediate particle between the initial heavy quark and the final state baryon. (orig.)

  2. Assessment of HRSC Digital Terrain Models Produced for the South Polar Residual Cap

    Science.gov (United States)

    Putri, Alfiah Rizky Diana; Sidiropoulos, Panagiotis; Muller, Jan-Peter

    2017-04-01

    The current Digital Terrain Models available for Mars consist of NASA MOLA (Mars Orbital Laser Altimeter) Digital Terrain Models with an average resolution of 112 m/ pixel (512 pixels/degree) for the polar region. The ESA/DLR High Resolution Stereo Camera is currently orbiting Mars and mapping its surface, 98% with resolution of ≤100 m/pixel and better and 100% at lower resolution [1]. It is possible to produce Digital Terrain Models from HRSC images using various methods. In this study, the method developed on Kim and Muller [2] which uses the VICAR open source program together with photogrammetry sofrware from DLR (Deutschen Zentrums für Luft- und Raumfahrt) with image matching based on the GOTCHA (Gruen-Otto-Chau) algorithm [3]. Digital Terrain Models have been processed over the South Pole with emphasis on areas around South Polar Residual Cap from High Resolution Stereo Camera images [4]. Digital Terrain Models have been produced for 31 orbits out of 149 polar orbits available. This study analyses the quality of the DTMs including an assessment of accuracy of elevations using the MOLA MEGDR (Mission Experiment Gridded Data Records) which has roughly 42 million MOLA PEDR (Precision Experiment Data Records) points between latitudes of 78 o -90 o S. The issues encountered in the production of Digital Terrain Models will be described and the statistical results and assessment method will be presented. The resultant DTMs will be accessible via http://i-Mars.eu/web-GIS References: [1] Neukum, G. et. al, 2004. Mars Express: The Scientific Payload pp. 17-35. [2] Kim, J.-R. and J.-P. Muller. 2009. PSS vol. 57, pp. 2095-2112. [3] Shin, D. and J.-P. Muller. 2012. Pattern Recognition, 45(10), 3795 -3809. [4] Putri, A.R. D., et al., Int. Arch. Photogramm. Remote Sens. Spatial Inf. Sci., XLI-B4, 463-469 Acknowledgements: The research leading to these results has received partial funding from the STFC "MSSL Consolidated Grant" ST/K000977/1 and partial support from the

  3. Accounting for rainfall evaporation using dual-polarization radar and mesoscale model data

    Science.gov (United States)

    Pallardy, Quinn; Fox, Neil I.

    2018-02-01

    Implementation of dual-polarization radar should allow for improvements in quantitative precipitation estimates due to dual-polarization capability allowing for the retrieval of the second moment of the gamma drop size distribution. Knowledge of the shape of the DSD can then be used in combination with mesoscale model data to estimate the motion and evaporation of each size of drop falling from the height at which precipitation is observed by the radar to the surface. Using data from Central Missouri at a range between 130 and 140 km from the operational National Weather Service radar a rain drop tracing scheme was developed to account for the effects of evaporation, where individual raindrops hitting the ground were traced to the point in space and time where they interacted with the radar beam. The results indicated evaporation played a significant role in radar rainfall estimation in situations where the atmosphere was relatively dry. Improvements in radar estimated rainfall were also found in these situations by accounting for evaporation. The conclusion was made that the effects of raindrop evaporation were significant enough to warrant further research into the inclusion high resolution model data in the radar rainfall estimation process for appropriate locations.

  4. Nonlinear continuum mechanics and large inelastic deformations

    CERN Document Server

    Dimitrienko, Yuriy I

    2010-01-01

    This book provides a rigorous axiomatic approach to continuum mechanics under large deformation. In addition to the classical nonlinear continuum mechanics - kinematics, fundamental laws, the theory of functions having jump discontinuities across singular surfaces, etc. - the book presents the theory of co-rotational derivatives, dynamic deformation compatibility equations, and the principles of material indifference and symmetry, all in systematized form. The focus of the book is a new approach to the formulation of the constitutive equations for elastic and inelastic continua under large deformation. This new approach is based on using energetic and quasi-energetic couples of stress and deformation tensors. This approach leads to a unified treatment of large, anisotropic elastic, viscoelastic, and plastic deformations. The author analyses classical problems, including some involving nonlinear wave propagation, using different models for continua under large deformation, and shows how different models lead t...

  5. Observational cosmology with the PLANCK satellite: modelling of the polarized Galactic emissions

    International Nuclear Information System (INIS)

    Fauvet, L.

    2010-01-01

    This thesis is dedicated to the Cosmic Microwave Background (CMB) anisotropies measurement and to the characterisation of the foreground Galactic emissions. This work is in the framework of the Planck satellite data analysis preparation. First, this thesis give a description of the Big Bang model and of the CMB physics. Then, we present the Archeops, WMAP and PLANCK experiments and their data analysis. Part two is devoted to the description of the diffuse Galactic synchrotron, free-free and thermal dust emissions and to the study of those emissions in the Galactic plane. Using comparison between our simulations and the WMAP, Archeops and IRIS data we are able to provide partial maps of the spatial variations of the dust grain temperature and of the spectral index of the synchrotron and thermal dust emissions. Third part is dedicated to the study of the two main polarized Galactic emissions: synchrotron and thermal dust emissions. We evaluate effective models based on template maps. We also build physical model based on physics for these emissions that is to say shape of the Galactic magnetic field and matter density in our Galaxy. Using maps and Galactic profiles, we compare our simulations of these emissions to the Archeops and WMAP data. Thanks to that we are able to provide for the first time a coherent model of the synchrotron and thermal dust emissions. Then we propose a method to improved the constraints on our model using the PLANCK data. Finally the last part focuses on the angular power spectra of the polarized Galactic emissions. We estimate the contamination due to these foreground emissions on the CMB signal. In addition we propose a method to minimize the contamination of the CMB PLANCK data by the thermal dust emission using masks. (author)

  6. Continuum of Care (COC) Areas

    Data.gov (United States)

    Department of Housing and Urban Development — The purpose of the Continuum of Care (CoC) Homeless Assistance Programs is to reduce the incidence of homelessness in CoC communities by assisting homeless...

  7. Design Gradient Descent Optimal Sliding Mode Control of Continuum Robots

    Directory of Open Access Journals (Sweden)

    Farzin Piltan

    2012-08-01

    Full Text Available In this research, a new approach for gradient descent optimal sliding mode controller for continuum robots is proposed. Based on the new dynamic models developed, a novel technique for nonlinear control of continuum manipulators to be employed in various situations has also been proposed and developed. A section of a continuum arm is modeled using lumped model elements (masses, springs and dampers and control by nonlinear methodology (sliding mode method and optimization the sliding surface slope by gradient descent method. It is shown that this type of control methodology, although used to a certain model, can be used to conveniently control the dynamics of the arm with suitable tradeoff in accuracy of modeling. This relatively controller is more plausible to implement in an actual real-time when compared to other techniques of nonlinear controller methodology of continuum arms. Principles of sliding mode methodology is based on derive the sliding surface slope and nonlinear dynamic model and applied in the system. Based on the gradient descent optimization method, the sliding surface slope and gain updating factor has been developed in certain and partly uncertain continuum robots. This methodology is represented in certain and uncertain area whose only optimization for certain area and test this optimization for uncertainty. The new techniques proposed and methodologies adopted in this paper supported by MATLAB/SIMULINK results represent a significant contribution to the field of design an optimized nonlinear sliding mode controller for continuum robots.

  8. The microphysics of clouds over the Antarctic Peninsula - Part 2: modelling aspects within Polar WRF

    Science.gov (United States)

    Listowski, Constantino; Lachlan-Cope, Tom

    2017-08-01

    The first intercomparisons of cloud microphysics schemes implemented in the Weather Research and Forecasting (WRF) mesoscale atmospheric model (version 3.5.1) are performed on the Antarctic Peninsula using the polar version of WRF (Polar WRF) at 5 km resolution, along with comparisons to the British Antarctic Survey's aircraft measurements (presented in part 1 of this work; Lachlan-Cope et al., 2016). This study follows previous works suggesting the misrepresentation of the cloud thermodynamic phase in order to explain large radiative biases derived at the surface in Polar WRF continent-wide (at 15 km or coarser horizontal resolution) and in the Polar WRF-based operational forecast model Antarctic Mesoscale Prediction System (AMPS) over the Larsen C Ice Shelf at 5 km horizontal resolution. Five cloud microphysics schemes are investigated: the WRF single-moment five-class scheme (WSM5), the WRF double-moment six-class scheme (WDM6), the Morrison double-moment scheme, the Thompson scheme, and the Milbrandt-Yau double-moment seven-class scheme. WSM5 (used in AMPS) and WDM6 (an upgrade version of WSM5) lead to the largest biases in observed supercooled liquid phase and surface radiative biases. The schemes simulating clouds in closest agreement to the observations are the Morrison, Thompson, and Milbrandt schemes for their better average prediction of occurrences of clouds and cloud phase. Interestingly, those three schemes are also the ones allowing for significant reduction of the longwave surface radiative bias over the Larsen C Ice Shelf (eastern side of the peninsula). This is important for surface energy budget consideration with Polar WRF since the cloud radiative effect is more pronounced in the infrared over icy surfaces. Overall, the Morrison scheme compares better to the cloud observation and radiation measurements. The fact that WSM5 and WDM6 are single-moment parameterizations for the ice crystals is responsible for their lesser ability to model the

  9. Multimission empirical ocean tide modeling for shallow waters and polar seas

    DEFF Research Database (Denmark)

    Cheng, Yongcun; Andersen, Ole Baltazar

    2011-01-01

    A new global ocean tide model named DTU10 (developed at Technical University of Denmark) representing all major diurnal and semidiurnal tidal constituents is proposed based on an empirical correction to the global tide model FES2004 (Finite Element Solutions), with residual tides determined using...... to recover twice the spatial variations of the tidal signal which is particularly important in shallow waters where the spatial scale of the tidal signal is scaled down. Outside the +/- 66 degrees parallel combined Envisat, GEOSAT Follow-On, and ERS-2, data sets have been included to solve for the tides up...... to the +/- 82 degrees parallel. A new approach to removing the annual sea level variations prior to estimating the residual tides significantly improved tidal determination of diurnal constituents from the Sun-synchronous satellites (e. g., ERS-2 and Envisat) in the polar seas. Extensive evaluations with six...

  10. Problem of simulating the Earth's induction effects in modeling polar magnetic substorms

    International Nuclear Information System (INIS)

    Mareschal, M.

    1976-01-01

    A major problem encountered in trying to model the current system associated with a polar magnetic substorm from ground-based magnetic observations is the difficulty of adequately evaluating the earth's induction effects. Two methods for simulating these effects are reviewed here. Method 1 simply reduces the earth to a perfect conductor and leads to very simple field equations. Method 2 considers the earth as a ''horizontally'' layered body of finite conductivity but requires a large amount of computational time. The performances of both methods are compared when the substorm current system can be approximated by an infinitely long electrojet flowing over a flat earth. In this case it appears that for most substorm modeling problems it is sufficient to treat the earth as a perfect conductor. The depth of this perfect conductor below the earth's surface should be selected in function of the source frequency content

  11. Bringing Polar Science to the Classroom

    Science.gov (United States)

    Bruccoli, A.; Madsen, J. M.; Porter, M.

    2004-12-01

    The NSF sponsored IceCube (OPP-0236449) and Teachers Experiencing Antarctica and the Arctic (TEA) projects have developed a model for engaging K-12 teachers in a variety of scientific disciplines using polar science as a unifying theme. An intensive workshop, Science in the Ice, provided teachers with background content knowledge and seed ideas for activities aligned with national teaching standards. These activities were used to support the introduction of authentic science investigations related to current polar research in the classroom. The pilot workshop, sponsored by the NSF supported Math-Science Partnership SCALE (0227016), demonstrated the viability of this approach for involving a continuum of teachers from novice to master in a meaningful professional development model that can lead to sustainable classroom changes. This model for teacher professional development is based on the premise that the most robust educational outreach efforts involve teachers that are prepared, supported, and connected to a network of researchers and educators. This network can also serve to both stimulate interest in polar research and as a vehicle for delivering classroom materials related to the International Polar Year. An overview of Science in the Ice will be provided to show how the natural fascination with extreme environments can be used to introduce on-going research to the classroom from multiple disciplines---glaciology, geology, and astrophysics---with a common thread of polar science. The case for involving teachers now to fully capitalize on the potential of the International Polar Year, by providing professional development opportunities including field experiences with researchers, will be made.

  12. SEACAS Theory Manuals: Part II. Nonlinear Continuum Mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Attaway, S.W.; Laursen, T.A.; Zadoks, R.I.

    1998-09-01

    This report summarizes the key continuum mechanics concepts required for the systematic prescription and numerical solution of finite deformation solid mechanics problems. Topics surveyed include measures of deformation appropriate for media undergoing large deformations, stress measures appropriate for such problems, balance laws and their role in nonlinear continuum mechanics, the role of frame indifference in description of large deformation response, and the extension of these theories to encompass two dimensional idealizations, structural idealizations, and rigid body behavior. There are three companion reports that describe the problem formulation, constitutive modeling, and finite element technology for nonlinear continuum mechanics systems.

  13. Physical Models of Layered Polar Firn Brightness Temperatures from 0.5 to 2 GHz

    Science.gov (United States)

    Tan, Shurun; Aksoy, Mustafa; Brogioni, Marco; Macelloni, Giovanni; Durand, Michael; Jezek, Kenneth C.; Wang, Tian-Lin; Tsang, Leung; Johnson, Joel T.; Drinkwater, Mark R.; hide

    2015-01-01

    We investigate physical effects influencing 0.5-2 GHz brightness temperatures of layered polar firn to support the Ultra Wide Band Software Defined Radiometer (UWBRAD) experiment to be conducted in Greenland and in Antarctica. We find that because ice particle grain sizes are very small compared to the 0.5-2 GHz wavelengths, volume scattering effects are small. Variations in firn density over cm- to m-length scales, however, cause significant effects. Both incoherent and coherent models are used to examine these effects. Incoherent models include a 'cloud model' that neglects any reflections internal to the ice sheet, and the DMRT-ML and MEMLS radiative transfer codes that are publicly available. The coherent model is based on the layered medium implementation of the fluctuation dissipation theorem for thermal microwave radiation from a medium having a nonuniform temperature. Density profiles are modeled using a stochastic approach, and model predictions are averaged over a large number of realizations to take into account an averaging over the radiometer footprint. Density profiles are described by combining a smooth average density profile with a spatially correlated random process to model density fluctuations. It is shown that coherent model results after ensemble averaging depend on the correlation lengths of the vertical density fluctuations. If the correlation length is moderate or long compared with the wavelength (approximately 0.6x longer or greater for Gaussian correlation function without regard for layer thinning due to compaction), coherent and incoherent model results are similar (within approximately 1 K). However, when the correlation length is short compared to the wavelength, coherent model results are significantly different from the incoherent model by several tens of kelvins. For a 10-cm correlation length, the differences are significant between 0.5 and 1.1 GHz, and less for 1.1-2 GHz. Model results are shown to be able to match the v

  14. Dihadron fragmentation functions in the quark-jet model: Transversely polarized quarks

    Science.gov (United States)

    Matevosyan, Hrayr H.; Kotzinian, Aram; Thomas, Anthony W.

    2018-01-01

    Within the most recent extension of the quark-jet hadronization framework, we explore the transverse-polarization-dependent dihadron fragmentation functions (DiFFs) H1∢ and H1⊥ of a quark into π+π- pairs. Monte Carlo (MC) simulations are employed to model polarized quark hadronization and calculate the corresponding number densities. These, in turn, are used to extract the Fourier cosine moments of the DiFFs H1∢ and H1⊥. A notable finding is that there are previously unnoticed apparent discrepancies between the definitions of the so-called interference DiFF (IFF) H1∢ , entering the cross sections for two-hadron semi-inclusive electroproduction, and those involved in the production of two pairs of hadrons from back-to-back jets in electron-positron annihilation. This manuscript completes the studies of all four leading-twist DiFFs for unpolarized hadron pairs within the quark-jet framework, following our previous work on the helicity-dependent DiFF G1⊥.

  15. IMPROVED PARAMETERIZATION OF WATER CLOUD MODEL FOR HYBRID-POLARIZED BACKSCATTER SIMULATION USING INTERACTION FACTOR

    Directory of Open Access Journals (Sweden)

    S. Chauhan

    2017-07-01

    Full Text Available The prime aim of this study was to assess the potential of semi-empirical water cloud model (WCM in simulating hybrid-polarized SAR backscatter signatures (RH and RV retrieved from RISAT-1 data and integrate the results into a graphical user interface (GUI to facilitate easy comprehension and interpretation. A predominant agricultural wheat growing area was selected in Mathura and Bharatpur districts located in the Indian states of Uttar Pradesh and Rajasthan respectively to carry out the study. The three-date datasets were acquired covering the crucial growth stages of the wheat crop. In synchrony, the fieldwork was organized to measure crop/soil parameters. The RH and RV backscattering coefficient images were extracted from the SAR data for all the three dates. The effect of four combinations of vegetation descriptors (V1 and V2 viz., LAI-LAI, LAI-Plant water content (PWC, Leaf water area index (LWAI-LWAI, and LAI-Interaction factor (IF on the total RH and RV backscatter was analyzed. The results revealed that WCM calibrated with LAI and IF as the two vegetation descriptors simulated the total RH and RV backscatter values with highest R2 of 0.90 and 0.85 while the RMSE was lowest among the other tested models (1.18 and 1.25 dB, respectively. The theoretical considerations and interpretations have been discussed and examined in the paper. The novelty of this work emanates from the fact that it is a first step towards the modeling of hybrid-polarized backscatter data using an accurately parameterized semi-empirical approach.

  16. Host antitumor resistance improved by the macrophage polarization in a chimera model of patients with HCC.

    Science.gov (United States)

    Asai, Akira; Tsuchimoto, Yusuke; Ohama, Hideko; Fukunishi, Shinya; Tsuda, Yasuhiro; Kobayashi, Makiko; Higuchi, Kazuhide; Suzuki, Fujio

    2017-01-01

    Despite major advances in curative and palliative approaches, hepatocellular carcinoma (HCC) is still the third leading cause of cancer-related death worldwide. M1 macrophages (Mϕ) play a key role in host antitumor defenses in HCC. In our study, CD14 + cells were isolated from the peripheral blood of four groups of HCC patients (group-1, patients with stage 0 HCC; group-2, patients with stage A HCC; group-3, patients with stage B HCC; and group-4, patients with stage C HCC) and characterized phenotypically. Then, CD14 + cells from group-2 and group-3 HCC patients were induced to polarize and tested for their antitumor abilities in a chimera model of HCC patients. Human HCCs (HepG2 solid tumors) grew in a chimera model of group-3 patients (group-3 HCC chimeras) but not in a chimera model of group-2 patients (group-2 HCC chimeras). In response to HCC antigens, the majority of CD14 + cells from group-2 patients (group-2 CD14 + cells) switched to the M1 phenotype (IL-12 + IL-10 - iNOS + cells), whereas the majority of CD14 + cells from group-3 patients (group-3 CD14 + cells) did not switch to the M1 phenotype and continued to express M2b phenotypic properties (IL-12 - IL-10 + CCL1 + iNOS - cells). Group-3 CD14 + cells showed M1Mϕ polarization after treatment with CCL1 antisense oligodeoxynucleotide (ODN). Therefore, our study indicates that anti-HCC defenses of group-3 HCC chimeras are improved after CCL1 antisense ODN treatment.

  17. Polarization Optics

    OpenAIRE

    Fressengeas, Nicolas

    2010-01-01

    The physics of polarization optics *Polarized light propagation *Partially polarized light; DEA; After a brief introduction to polarization optics, this lecture reviews the basic formalisms for dealing with it: Jones Calculus for totally polarized light and Stokes parameters associated to Mueller Calculus for partially polarized light.

  18. Mars Water Ice and Carbon Dioxide Seasonal Polar Caps: GCM Modeling and Comparison with Mars Express Omega Observations

    Science.gov (United States)

    Forget, F.; Levrard, B.; Montmessin, F.; Schmitt, B.; Doute, S.; Langevin, Y.; Bibring, J. P.

    2005-01-01

    To better understand the behavior of the Mars CO2 ice seasonal polar caps, and in particular interpret the the Mars Express Omega observations of the recession of the northern seasonal cap, we present some simulations of the Martian Climate/CO2 cycle/ water cycle as modeled by the Laboratoire de Meteorologie Dynamique (LMD) global climate model.

  19. Simulations of physics and chemistry of polar stratospheric clouds with a general circulation model

    Energy Technology Data Exchange (ETDEWEB)

    Buchholz, J.

    2005-04-20

    A polar stratospheric cloud submodel has been developed and incorporated in a general circulation model including atmospheric chemistry (ECHAM5/MESSy). The formation and sedimentation of polar stratospheric cloud (PSC) particles can thus be simulated as well as heterogeneous chemical reactions that take place on the PSC particles. For solid PSC particle sedimentation, the need for a tailor-made algorithm has been elucidated. A sedimentation scheme based on first order approximations of vertical mixing ratio profiles has been developed. It produces relatively little numerical diffusion and can deal well with divergent or convergent sedimentation velocity fields. For the determination of solid PSC particle sizes, an efficient algorithm has been adapted. It assumes a monodisperse radii distribution and thermodynamic equilibrium between the gas phase and the solid particle phase. This scheme, though relatively simple, is shown to produce particle number densities and radii within the observed range. The combined effects of the representations of sedimentation and solid PSC particles on vertical H{sub 2}O and HNO{sub 3} redistribution are investigated in a series of tests. The formation of solid PSC particles, especially of those consisting of nitric acid trihydrate, has been discussed extensively in recent years. Three particle formation schemes in accordance with the most widely used approaches have been identified and implemented. For the evaluation of PSC occurrence a new data set with unprecedented spatial and temporal coverage was available. A quantitative method for the comparison of simulation results and observations is developed and applied. It reveals that the relative PSC sighting frequency can be reproduced well with the PSC submodel whereas the detailed modelling of PSC events is beyond the scope of coarse global scale models. In addition to the development and evaluation of new PSC submodel components, parts of existing simulation programs have been

  20. Polar cap arcs from the magnetosphere to the ionosphere: kinetic modelling and observations by Cluster and TIMED

    Directory of Open Access Journals (Sweden)

    R. Maggiolo

    2012-02-01

    Full Text Available On 1 April 2004 the GUVI imager onboard the TIMED spacecraft spots an isolated and elongated polar cap arc. About 20 min later, the Cluster satellites detect an isolated upflowing ion beam above the polar cap. Cluster observations show that the ions are accelerated upward by a quasi-stationary electric field. The field-aligned potential drop is estimated to about 700 V and the upflowing ions are accompanied by a tenuous population of isotropic protons with a temperature of about 500 eV. The magnetic footpoints of the ion outflows observed by Cluster are situated in the prolongation of the polar cap arc observed by TIMED GUVI. The upflowing ion beam and the polar cap arc may be different signatures of the same phenomenon, as suggested by a recent statistical study of polar cap ion beams using Cluster data. We use Cluster observations at high altitude as input to a quasi-stationary magnetosphere-ionosphere (MI coupling model. Using a Knight-type current-voltage relationship and the current continuity at the topside ionosphere, the model computes the energy spectrum of precipitating electrons at the top of the ionosphere corresponding to the generator electric field observed by Cluster. The MI coupling model provides a field-aligned potential drop in agreement with Cluster observations of upflowing ions and a spatial scale of the polar cap arc consistent with the optical observations by TIMED. The computed energy spectrum of the precipitating electrons is used as input to the Trans4 ionospheric transport code. This 1-D model, based on Boltzmann's kinetic formalism, takes into account ionospheric processes such as photoionization and electron/proton precipitation, and computes the optical and UV emissions due to precipitating electrons. The emission rates provided by the Trans4 code are compared to the optical observations by TIMED. They are similar in size and intensity. Data and modelling results are consistent with the scenario of quasi

  1. Simulation of polar stratospheric clouds in the chemistry-climate-model EMAC via the submodel PSC

    Directory of Open Access Journals (Sweden)

    O. Kirner

    2011-03-01

    Full Text Available The submodel PSC of the ECHAM5/MESSy Atmospheric Chemistry model (EMAC has been developed to simulate the main types of polar stratospheric clouds (PSC. The parameterisation of the supercooled ternary solutions (STS, type 1b PSC in the submodel is based on Carslaw et al. (1995b, the thermodynamic approach to simulate ice particles (type 2 PSC on Marti and Mauersberger (1993. For the formation of nitric acid trihydrate (NAT particles (type 1a PSC two different parameterisations exist. The first is based on an instantaneous thermodynamic approach from Hanson and Mauersberger (1988, the second is new implemented and considers the growth of the NAT particles with the aid of a surface growth factor based on Carslaw et al. (2002. It is possible to choose one of this NAT parameterisation in the submodel. This publication explains the background of the submodel PSC and the use of the submodel with the goal of simulating realistic PSC in EMAC.

  2. Model of climate evolution based on continental drift and polar wandering

    Science.gov (United States)

    Donn, W. L.; Shaw, D. M.

    1977-01-01

    The thermodynamic meteorologic model of Adem is used to trace the evolution of climate from Triassic to present time by applying it to changing geography as described by continental drift and polar wandering. Results show that the gross changes of climate in the Northern Hemisphere can be fully explained by the strong cooling in high latitudes as continents moved poleward. High-latitude mean temperatures in the Northern Hemisphere dropped below the freezing point 10 to 15 m.y. ago, thereby accounting for the late Cenozoic glacial age. Computed meridional temperature gradients for the Northern Hemisphere steepened from 20 to 40 C over the 200-m.y. period, an effect caused primarily by the high-latitude temperature decrease. The primary result of the work is that the cooling that has occurred since the warm Mesozoic period and has culminated in glaciation is explainable wholly by terrestrial processes.

  3. Continuum strong QCD: Confinement and dynamical chiral symmetry breaking

    International Nuclear Information System (INIS)

    Continuum strong QCD is the application of models and continuum quantum field theory to the study of phenomena in hadronic physics, which includes; e.g., the spectrum of QCD bound states and their interactions. Herein the author provides a Dyson-Schwinger equation perspective, focusing on qualitative aspects of confinement and dynamical chiral symmetry breaking in cold, sparse QCD, and also elucidating consequences of the axial-vector Ward-Takahashi identity and features of the heavy-quark limit

  4. Model of polar auxin transport coupled to mechanical forces retrieves robust morphogenesis along the Arabidopsis root

    Science.gov (United States)

    Romero-Arias, J. Roberto; Hernández-Hernández, Valeria; Benítez, Mariana; Alvarez-Buylla, Elena R.; Barrio, Rafael A.

    2017-03-01

    Stem cells are identical in many scales, they share the same molecular composition, DNA, genes, and genetic networks, yet they should acquire different properties to form a functional tissue. Therefore, they must interact and get some external information from their environment, either spatial (dynamical fields) or temporal (lineage). In this paper we test to what extent coupled chemical and physical fields can underlie the cell's positional information during development. We choose the root apical meristem of Arabidopsis thaliana to model the emergence of cellular patterns. We built a model to study the dynamics and interactions between the cell divisions, the local auxin concentration, and physical elastic fields. Our model recovers important aspects of the self-organized and resilient behavior of the observed cellular patterns in the Arabidopsis root, in particular, the reverse fountain pattern observed in the auxin transport, the PIN-FORMED (protein family of auxin transporters) polarization pattern and the accumulation of auxin near the region of maximum curvature in a bent root. Our model may be extended to predict altered cellular patterns that are expected under various applied auxin treatments or modified physical growth conditions.

  5. Using the Continuum of Design Modelling Techniques to Aid the Development of CAD Modeling Skills in First Year Industrial Design Students

    Science.gov (United States)

    Storer, I. J.; Campbell, R. I.

    2012-01-01

    Industrial Designers need to understand and command a number of modelling techniques to communicate their ideas to themselves and others. Verbal explanations, sketches, engineering drawings, computer aided design (CAD) models and physical prototypes are the most commonly used communication techniques. Within design, unlike some disciplines,…

  6. Modeling Water and Nutrient Transport through the Soil-Root-Canopy Continuum: Explicitly Linking the Below- and Above-Ground Processes

    Science.gov (United States)

    Kumar, P.; Quijano, J. C.; Drewry, D.

    2010-12-01

    Vegetation roots provide a fundamental link between the below ground water and nutrient dynamics and above ground canopy processes such as photosynthesis, evapotranspiration and energy balance. The “hydraulic architecture” of roots, consisting of the structural organization of the root system and the flow properties of the conduits (xylem) as well as interfaces with the soil and the above ground canopy, affect stomatal conductance thereby directly linking them to the transpiration. Roots serve as preferential pathways for the movement of moisture from wet to dry soil layers during the night, both from upper soil layer to deeper layers during the wet season (‘hydraulic descent’) and vice-versa (‘hydraulic lift’) as determined by the moisture gradients. The conductivities of transport through the root system are significantly, often orders of magnitude, larger than that of the surrounding soil resulting in movement of soil-moisture at rates that are substantially larger than that through the soil. This phenomenon is called hydraulic redistribution (HR). The ability of the deep-rooted vegetation to “bank” the water through hydraulic descent during wet periods for utilization during dry periods provides them with a competitive advantage. However, during periods of hydraulic lift these deep-rooted trees may facilitate the growth of understory vegetation where the understory scavenges the hydraulically lifted soil water. In other words, understory vegetation with relatively shallow root systems have access to the banked deep-water reservoir. These inter-dependent root systems have a significant influence on water cycle and ecosystem productivity. HR induced available moisture may support rhizosphere microbial and mycorrhizal fungi activities and enable utilization of heterogeneously distributed water and nutrient resources To capture this complex inter-dependent nutrient and water transport through the soil-root-canopy continuum we present modeling

  7. PORFLO - a continuum model for fluid flow, heat transfer, and mass transport in porous media. Model theory, numerical methods, and computational tests

    International Nuclear Information System (INIS)

    Runchal, A.K.; Sagar, B.; Baca, R.G.; Kline, N.W.

    1985-09-01

    Postclosure performance assessment of the proposed high-level nuclear waste repository in flood basalts at Hanford requires that the processes of fluid flow, heat transfer, and mass transport be numerically modeled at appropriate space and time scales. A suite of computer models has been developed to meet this objective. The theory of one of these models, named PORFLO, is described in this report. Also presented are a discussion of the numerical techniques in the PORFLO computer code and a few computational test cases. Three two-dimensional equations, one each for fluid flow, heat transfer, and mass transport, are numerically solved in PORFLO. The governing equations are derived from the principle of conservation of mass, momentum, and energy in a stationary control volume that is assumed to contain a heterogeneous, anisotropic porous medium. Broad discrete features can be accommodated by specifying zones with distinct properties, or these can be included by defining an equivalent porous medium. The governing equations are parabolic differential equations that are coupled through time-varying parameters. Computational tests of the model are done by comparisons of simulation results with analytic solutions, with results from other independently developed numerical models, and with available laboratory and/or field data. In this report, in addition to the theory of the model, results from three test cases are discussed. A users' manual for the computer code resulting from this model has been prepared and is available as a separate document. 37 refs., 20 figs., 15 tabs

  8. Biotransformation model of neutral and weakly polar organic compounds in fish incorporating internal partitioning.

    Science.gov (United States)

    Kuo, Dave T F; Di Toro, Dominic M

    2013-08-01

    A model for whole-body in vivo biotransformation of neutral and weakly polar organic chemicals in fish is presented. It considers internal chemical partitioning and uses Abraham solvation parameters as reactivity descriptors. It assumes that only chemicals freely dissolved in the body fluid may bind with enzymes and subsequently undergo biotransformation reactions. Consequently, the whole-body biotransformation rate of a chemical is retarded by the extent of its distribution in different biological compartments. Using a randomly generated training set (n = 64), the biotransformation model is found to be: log (HLφfish ) = 2.2 (±0.3)B - 2.1 (±0.2)V - 0.6 (±0.3) (root mean square error of prediction [RMSE] = 0.71), where HL is the whole-body biotransformation half-life in days, φfish is the freely dissolved fraction in body fluid, and B and V are the chemical's H-bond acceptance capacity and molecular volume. Abraham-type linear free energy equations were also developed for lipid-water (Klipidw ) and protein-water (Kprotw ) partition coefficients needed for the computation of φfish from independent determinations. These were found to be 1) log Klipidw  = 0.77E - 1.10S - 0.47A - 3.52B + 3.37V + 0.84 (in Lwat /kglipid ; n = 248, RMSE = 0.57) and 2) log Kprotw  = 0.74E - 0.37S - 0.13A - 1.37B + 1.06V - 0.88 (in Lwat /kgprot ; n = 69, RMSE = 0.38), where E, S, and A quantify dispersive/polarization, dipolar, and H-bond-donating interactions, respectively. The biotransformation model performs well in the validation of HL (n = 424, RMSE = 0.71). The predicted rate constants do not exceed the transport limit due to circulatory flow. Furthermore, the model adequately captures variation in biotransformation rate between chemicals with varying log octanol-water partitioning coefficient, B, and V and exhibits high degree of independence from the choice of training chemicals. The

  9. A Fuzzy Computing Model for Identifying Polarity of Chinese Sentiment Words

    OpenAIRE

    Wang, Bingkun; Huang, Yongfeng; Wu, Xian; Li, Xing

    2015-01-01

    With the spurt of online user-generated contents on web, sentiment analysis has become a very active research issue in data mining and natural language processing. As the most important indicator of sentiment, sentiment words which convey positive and negative polarity are quite instrumental for sentiment analysis. However, most of the existing methods for identifying polarity of sentiment words only consider the positive and negative polarity by the Cantor set, and no attention is paid to th...

  10. Nonlocal Theories in Continuum Mechanics

    Directory of Open Access Journals (Sweden)

    M. Jirásek

    2004-01-01

    Full Text Available The purpose of this paper is to explain why the standard continuum theory fails to properly describe certain mechanical phenomena and how the description can be improved by enrichments that incorporate the influence of gradients or weighted spatial averages of strain or of an internal variable. Three typical mechanical problems that require such enrichments are presented: (i dispersion of short elastic waves in heterogeneous or discrete media, (ii size effects in microscale elastoplasticity, in particular with the size dependence of the apparent hardening modulus, and (iii localization of strain and damage in quasibrittle structures and with the resulting transitional size effect. Problems covered in the examples encompass static and dynamic phenomena, linear and nonlinear behavior, and three constitutive frameworks, namely elasticity, plasticity and continuum damage mechanics. This shows that enrichments of the standard continuum theory can be useful in a wide range of mechanical problems. 

  11. A Modeling Study of the Initial Formation of Polar Lows in the Vicinity of the Arctic Front

    Directory of Open Access Journals (Sweden)

    Igor Mingalev

    2014-01-01

    Full Text Available A regional mathematical model of the wind system of the lower atmosphere, developed recently in the Polar Geophysical Institute, is applied to investigate the initial stage of the formation of polar lows at latitudes of the European Arctic. The mathematical model is based on numerical solving of nonsimplified gas dynamic equations and produces three-dimensional distributions of the atmospheric parameters in the height range from 0 to 15 km over a limited region of the Earth’s surface. Simulation results indicated that the origin of a convexity in the configuration of the arctic front can lead to the formation of a polar low during the period of about one day.

  12. An analysis of heat conduction in polar bear hairs using one-dimensional fractional model

    Directory of Open Access Journals (Sweden)

    Zhu Wei-Hong

    2016-01-01

    Full Text Available Hairs of a polar bear are of superior properties such as the excellent thermal protection. The polar bears can perennially live in an extremely cold environment and can maintain body temperature at around 37 °C. Why do polar bears can resist such cold environment? Its membrane-pore structure plays an important role. In the previous work, we established a 1-D fractional heat conduction equation to reveal the hidden mechanism for the hairs. In this paper, we further discuss solutions and parameters of the equation established and analyze heat conduction in polar bear hairs.

  13. 3D Modeling of South Polar Layered Deposits on Mars with SHARAD radar data

    Science.gov (United States)

    Kofman, W.; Grima, C.; Mouginot, J.; Herique, A.; Seu, R.; Biccari, D.; Orosei, R.

    2007-08-01

    The SHAllow RADar (SHARAD) is a subsurface sounding instrument aboard the NASA's Mars Reconnaissance Orbiter (MRO) spacecraft. The routine science observations started in November 2006 has already provided a huge amount of data promising an unprecedented insight into the Martian subsurface. The main SHARAD scientific objectives are to map the underground distribution of water over the planet as well as to seek buried geological structures in order to understand the formation of the superficial Martian landscape. SHARAD is working at a 20 MHz central frequency with a 10 MHz bandwidth. The operating parameters allow a 10 m vertical free space resolution and a penetration depth in the range of 0.1 to 1 km. Horizontally, the cross-track and along-track foot print range are respectively 3-7 km and 0.3-1 km. Assuming a low impurities water ice the depth range of the radar should be 1 km with about 7 m of theoretical vertical resolution. This makes possible to sound the internal polar caps structures like never before. We report some observations made in Planum Australe over a 36.000 km2 area. 24 orbits crossing it have been selected. Each shows clear radar echoes with linear shape reaching the radar later than the surface echo. After comparison with simulations able to highlight any potential clutter signals, they have been interpreted as being polar layers. From this set of data a 3D modeling of the subsurface layering was undertaken. We show the results and discuss the method employed. A comparison between the layers behaviour determined in this study, the MOLA topography and the basal mapping made by MARSIS recently, allows initiating geomorphologic discussions.

  14. Modeling optically pumped NMR and spin polarization in GaAs/AlGaAs quantum wells

    Science.gov (United States)

    Saha, D.; Wood, R.; Tokarski, J. T.; McCarthy, L. A.; Bowers, C. R.; Sesti, E. L.; Hayes, S. E.; Kuhns, P. L.; McGill, S. A.; Reyes, A. R.; Sanders, G. D.; Stanton, C. J.

    2014-08-01

    Optically-pumped nuclear magnetic resonance (OPNMR) spectroscopy is an emerging technique to probe electronic and nuclear spin properties in bulk and quantum well semiconductors. In OPNMR, one uses optical pumping with light to create spin-polarized electrons in a semiconductor. The electron spin can be transferred to the nuclear spin bath through the Fermi contact hyperfine interaction which can then be detected by conventional NMR. The resulting NMR signal can be enhanced four to five orders of magnitude or more over the thermal equilibrium signal. In previous work, we studied OPNMR in bulk GaAs where we investigated the strength of the OPNMR signal as a function of the pump laser frequency. This allowed us to study the spin-split valence band. Here we report on OPNMR studies in GaAs/AlGaAs quantum wells. We focus on theoretical calculations for the average electron spin polarization at different photon energies for different values of external magnetic field in both unstrained and strained quantum wells. Our calculations allow us to identify the Landau level transitions which are responsible for the peaks in the photon energy dependence of the OPNMR signal intensity. The calculations are based on the 8- band Pidgeon-Brown model generalized to include the effects of the quantum confinement potential as well as pseudomorphic strain at the interfaces. Optical properties are calculated within the golden rule approximation. Detailed comparison to experiment allows one to accurately determine valence band spin splitting in the quantum wells including the effects of strain.

  15. Lagrangian continuum dynamics in ALEGRA.

    Energy Technology Data Exchange (ETDEWEB)

    Wong, Michael K. W.; Love, Edward

    2007-12-01

    Alegra is an ALE (Arbitrary Lagrangian-Eulerian) multi-material finite element code that emphasizes large deformations and strong shock physics. The Lagrangian continuum dynamics package in Alegra uses a Galerkin finite element spatial discretization and an explicit central-difference stepping method in time. The goal of this report is to describe in detail the characteristics of this algorithm, including the conservation and stability properties. The details provided should help both researchers and analysts understand the underlying theory and numerical implementation of the Alegra continuum hydrodynamics algorithm.

  16. DART: Recent Advances in Remote Sensing Data Modeling With Atmosphere, Polarization, and Chlorophyll Fluorescence

    Science.gov (United States)

    Gastellu-Etchegorry, Jean-Phil; Lauret, Nicolas; Yin, Tiangang; Landier, Lucas; Kallel, Abdelaziz; Malenovsky, Zbynek; Bitar, Ahmad Al; Aval, Josselin; Benhmida, Sahar; Qi, Jianbo; hide

    2017-01-01

    To better understand the life-essential cycles and processes of our planet and to further develop remote sensing (RS) technology, there is an increasing need for models that simulate the radiative budget (RB) and RS acquisitions of urban and natural landscapes using physical approaches and considering the three-dimensional (3-D) architecture of Earth surfaces. Discrete anisotropic radiative transfer (DART) is one of the most comprehensive physically based 3-D models of Earth-atmosphere radiative transfer, covering the spectral domain from ultraviolet to thermal infrared wavelengths. It simulates the optical 3-DRB and optical signals of proximal, aerial, and satellite imaging spectrometers and laser scanners, for any urban and/or natural landscapes and for any experimental and instrumental configurations. It is freely available for research and teaching activities. In this paper, we briefly introduce DART theory and present recent advances in simulated sensors (LiDAR and cameras with finite field of view) and modeling mechanisms (atmosphere, specular reflectance with polarization and chlorophyll fluorescence). A case study demonstrating a novel application of DART to investigate urban landscapes is also presented.

  17. Validation of H2O continuum absorption models in the wave number range 180-600 cm(-1) with atmospheric emitted spectral radiance measured at the Antarctica Dome-C site.

    Science.gov (United States)

    Liuzzi, Giuliano; Masiello, Guido; Serio, Carmine; Palchetti, Luca; Bianchini, Giovanni

    2014-07-14

    This work presents the results concerning the analysis of a set of atmospheric emitted (down welling) spectral radiance observations in the spectral range 180 to 1100 cm(-1) acquired at the Dome-C site in Antarctica during an extensive field campaign in 2011-2012. The work has been mainly focused on retrieving and validating the coefficients of the foreign contribution to the water vapour continuum absorption, within a spectral range overlapping the water vapour rotational band. Retrievals have been performed by using a simultaneous physical retrieval procedure for atmospheric and spectroscopic parameters. Both day (summer) and night (winter) spectra have been used in our analysis. This new set of observations in the far infrared range has allowed us to extend validation and verification of state-of-art water vapour continuum absorption models down to 180 cm(-1). Results show that discrepancies between measurements and models are less than 10% in the interval 350-590 cm(-1), while they are slightly larger at wave numbers below 350 cm(-1). On overall, our study shows a good consistency between observations and state-of-art models and provides evidence toward needing to adjust absorptive line strengths. Finally, it has been found that there is a good agreement between the coefficients retrieved using either summer or winter spectra, which are acquired in far different meteorological conditions.

  18. Into the development of a model to assess beam shaping and polarization control effects on laser cutting

    Science.gov (United States)

    Rodrigues, Gonçalo C.; Duflou, Joost R.

    2018-02-01

    This paper offers an in-depth look into beam shaping and polarization control as two of the most promising techniques for improving industrial laser