Monsivais, Diane B
2011-06-01
This article reviews the culture of biomedicine and current practices in pain management education, which often merge to create a hostile environment for effective chronic pain care. Areas of cultural tensions in chronic pain frequently involve the struggle to achieve credibility regarding one's complaints of pain (or being believed that the pain is real) and complying with pain medication protocols. The clinically relevant continuum model is presented as a framework allowing providers to approach care from an evidence-based, culturally appropriate (patient centered) perspective that takes into account the highest level of evidence available, provider expertise, and patient preferences and values. Copyright © 2011 Elsevier Inc. All rights reserved.
Continuum methods of physical modeling continuum mechanics, dimensional analysis, turbulence
Hutter, Kolumban
2004-01-01
The book unifies classical continuum mechanics and turbulence modeling, i.e. the same fundamental concepts are used to derive model equations for material behaviour and turbulence closure and complements these with methods of dimensional analysis. The intention is to equip the reader with the ability to understand the complex nonlinear modeling in material behaviour and turbulence closure as well as to derive or invent his own models. Examples are mostly taken from environmental physics and geophysics.
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)
Continuum Model for River Networks
Giacometti, Achille; Maritan, Amos; Banavar, Jayanth R.
1995-07-01
The effects of erosion, avalanching, and random precipitation are captured in a simple stochastic partial differential equation for modeling the evolution of river networks. Our model leads to a self-organized structured landscape and to abstraction and piracy of the smaller tributaries as the evolution proceeds. An algebraic distribution of the average basin areas and a power law relationship between the drainage basin area and the river length are found.
Mesoscopic and continuum modelling of angiogenesis
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.
Mesoscopic and continuum modelling of angiogenesis
Spill, F.; Guerrero, P.; Alarcon, T.; Maini, P. K.; Byrne, H. M.
2014-01-01
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.
Meij, E.; Weerkamp, W.; Balog, K.; de Rijke, M.; Myang, S.-H.; Oard, D.W.; Sebastiani, F.; Chua, T.-S.; Leong, M.-K.
2008-01-01
We describe a method for applying parsimonious language models to re-estimate the term probabilities assigned by relevance models. We apply our method to six topic sets from test collections in five different genres. Our parsimonious relevance models (i) improve retrieval effectiveness in terms of
Karabinos, Michael Joseph
2015-01-01
This dissertation tests the universal suitability of the records continuum model by using two cases from the decolonization of Southeast Asia. The continuum model is a new model of records visualization invented in the 1990s that sees records as free to move throughout four ‘dimensions’ rather than
Continuum mechanics the birthplace of mathematical models
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
Continuum modeling an approach through practical examples
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.
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.
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
Continuum shell-model with complicated configurations
International Nuclear Information System (INIS)
Barz, H.W.; Hoehn, J.
1977-05-01
The traditional shell model has been combined with the coupled channels method in order to describe resonance reactions. For that purpose the configuration space is divided into two subspaces (Feshbach projection method). Complicated shell-model configurations can be included into the subspace of discrete states which contains the single particle resonance states too. In the subspace of scattering states the equation of motion is solved by using the coupled channels method. Thereby the orthogonality between scattering states and discrete states is ensured. Resonance states are defined with outgoing waves in all channels. By means of simple model calculations the special role of the continuum is investigated. In this connection the energy dependence of the resonance parameters, the isospin mixture via the continuum, threshold effect, as well as the influence of the number of channels taken into account on the widths, positions and dipole strengths of the resonance are discussed. The model is mainly applied to the description of giant resonances excited by the scattering of nucleons and photo-nucleus processes (source term method) found in reactions on light nuclei. The giant resonance observed in the 15 N(p,n) reaction is explained by the inclusion of 2p-2h states. The same is true for the giant resonance in 13 C(J = 1/2, 3/2) as well as for the giant resonance built on the first 3 - state in 16 O. By means of a correlation analysis for the reduced widths amplitudes an access to the doorway conception is found. (author)
Advanced dielectric continuum model of preferential solvation
Basilevsky, Mikhail; Odinokov, Alexey; Nikitina, Ekaterina; Grigoriev, Fedor; Petrov, Nikolai; Alfimov, Mikhail
2009-01-01
A continuum model for solvation effects in binary solvent mixtures is formulated in terms of the density functional theory. The presence of two variables, namely, the dimensionless solvent composition y and the dimensionless total solvent density z, is an essential feature of binary systems. Their coupling, hidden in the structure of the local dielectric permittivity function, is postulated at the phenomenological level. Local equilibrium conditions are derived by a variation in the free energy functional expressed in terms of the composition and density variables. They appear as a pair of coupled equations defining y and z as spatial distributions. We consider the simplest spherically symmetric case of the Born-type ion immersed in the benzene/dimethylsulfoxide (DMSO) solvent mixture. The profiles of y(R ) and z(R ) along the radius R, which measures the distance from the ion center, are found in molecular dynamics (MD) simulations. It is shown that for a given solute ion z(R ) does not depend significantly on the composition variable y. A simplified solution is then obtained by inserting z(R ), found in the MD simulation for the pure DMSO, in the single equation which defines y(R ). In this way composition dependences of the main solvation effects are investigated. The local density augmentation appears as a peak of z(R ) at the ion boundary. It is responsible for the fine solvation effects missing when the ordinary solvation theories, in which z =1, are applied. These phenomena, studied for negative ions, reproduce consistently the simulation results. For positive ions the simulation shows that z ≫1 (z =5-6 at the maximum of the z peak), which means that an extremely dense solvation shell is formed. In such a situation the continuum description fails to be valid within a consistent parametrization.
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...
Organisationally relevant variables and Keyes's Mental Health Continuum Scale: An exploratory study
Directory of Open Access Journals (Sweden)
Deo J.W. Strümpfer
2009-09-01
Full Text Available In an exploratory study on a sample of convenience (n = 165, 11 self-report variables with presumed organisational relevance were related, as predictors, to the three subscores and summed score of the Keyes (2005a, 2005b; 2007 Mental Health Continuum scale (long form. Keyes's scale was administered five to seven days after the first set of scales. The predictor scores were reduced to three factorial scores, labelled positive orientation, negative orientation and positive striving. When classified thus, the predictor variables showed significant and meaningful relationships with some or all of the Keyes subscores and the total score, although few reached medium effect sizes.
Modeling of Continuum Manipulators Using Pythagorean Hodograph Curves.
Singh, Inderjeet; Amara, Yacine; Melingui, Achille; Mani Pathak, Pushparaj; Merzouki, Rochdi
2018-05-10
Research on continuum manipulators is increasingly developing in the context of bionic robotics because of their many advantages over conventional rigid manipulators. Due to their soft structure, they have inherent flexibility, which makes it a huge challenge to control them with high performances. Before elaborating a control strategy of such robots, it is essential to reconstruct first the behavior of the robot through development of an approximate behavioral model. This can be kinematic or dynamic depending on the conditions of operation of the robot itself. Kinematically, two types of modeling methods exist to describe the robot behavior; quantitative methods describe a model-based method, and qualitative methods describe a learning-based method. In kinematic modeling of continuum manipulator, the assumption of constant curvature is often considered to simplify the model formulation. In this work, a quantitative modeling method is proposed, based on the Pythagorean hodograph (PH) curves. The aim is to obtain a three-dimensional reconstruction of the shape of the continuum manipulator with variable curvature, allowing the calculation of its inverse kinematic model (IKM). It is noticed that the performances of the PH-based kinematic modeling of continuum manipulators are considerable regarding position accuracy, shape reconstruction, and time/cost of the model calculation, than other kinematic modeling methods, for two cases: free load manipulation and variable load manipulation. This modeling method is applied to the compact bionic handling assistant (CBHA) manipulator for validation. The results are compared with other IKMs developed in case of CBHA manipulator.
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...... is modeled on the basis of energy approach for both the in-plane and out-plane cases. The torsional influences on the shape of the concentric-tube robots are considered. An experimental device was build for the model validation. The results of simulation and experiments are included and analyzed....
Adhesive contact: from atomistic model to continuum model
International Nuclear Information System (INIS)
Fan Kang-Qi; Jia Jian-Yuan; Zhu Ying-Min; Zhang Xiu-Yan
2011-01-01
Two types of Lennard-Jones potential are widely used in modeling adhesive contacts. However, the relationships between the parameters of the two types of Lennard-Jones potential are not well defined. This paper employs a self-consistent method to derive the Lennard-Jones surface force law from the interatomic Lennard-Jones potential with emphasis on the relationships between the parameters. The effect of using correct parameters in the adhesion models is demonstrated in single sphere-flat contact via continuum models and an atomistic model. Furthermore, the adhesion hysteresis behaviour is investigated, and the S-shaped force-distance relation is revealed by the atomistic model. It shows that the adhesion hysteresis loop is generated by the jump-to-contact and jump-off-contact, which are illustrated by the S-shaped force-distance curve. (atomic and molecular physics)
Some aspects of continuum physics used in fuel pin modeling
International Nuclear Information System (INIS)
Bard, F.E.
1975-06-01
The mathematical formulation used in fuel pin modeling is described. Fuel pin modeling is not a simple extension of the experimental and interpretative methods used in classical mechanics. New concepts are needed to describe materials in a reactor environment. Some aspects of continuum physics used to develop these new constitutive equations for fuel pins are presented. (U.S.)
Continuum Modeling of Biological Network Formation
Albi, Giacomo; Burger, Martin; Haskovec, Jan; Markowich, Peter A.; Schlottbom, Matthias
2017-01-01
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
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 ...
Continuum-Kinetic Models and Numerical Methods for Multiphase Applications
Nault, Isaac Michael
This thesis presents a continuum-kinetic approach for modeling general problems in multiphase solid mechanics. In this context, a continuum model refers to any model, typically on the macro-scale, in which continuous state variables are used to capture the most important physics: conservation of mass, momentum, and energy. A kinetic model refers to any model, typically on the meso-scale, which captures the statistical motion and evolution of microscopic entitites. Multiphase phenomena usually involve non-negligible micro or meso-scopic effects at the interfaces between phases. The approach developed in the thesis attempts to combine the computational performance benefits of a continuum model with the physical accuracy of a kinetic model when applied to a multiphase problem. The approach is applied to modeling a single particle impact in Cold Spray, an engineering process that intimately involves the interaction of crystal grains with high-magnitude elastic waves. Such a situation could be classified a multiphase application due to the discrete nature of grains on the spatial scale of the problem. For this application, a hyper elasto-plastic model is solved by a finite volume method with approximate Riemann solver. The results of this model are compared for two types of plastic closure: a phenomenological macro-scale constitutive law, and a physics-based meso-scale Crystal Plasticity model.
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.
Continuum Modeling of Biological Network Formation
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.
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)
Hybrid continuum-coarse-grained modeling of erythrocytes
Lyu, Jinming; Chen, Paul G.; Boedec, Gwenn; Leonetti, Marc; Jaeger, Marc
2018-06-01
The red blood cell (RBC) membrane is a composite structure, consisting of a phospholipid bilayer and an underlying membrane-associated cytoskeleton. Both continuum and particle-based coarse-grained RBC models make use of a set of vertices connected by edges to represent the RBC membrane, which can be seen as a triangular surface mesh for the former and a spring network for the latter. Here, we present a modeling approach combining an existing continuum vesicle model with a coarse-grained model for the cytoskeleton. Compared to other two-component approaches, our method relies on only one mesh, representing the cytoskeleton, whose velocity in the tangential direction of the membrane may be different from that of the lipid bilayer. The finitely extensible nonlinear elastic (FENE) spring force law in combination with a repulsive force defined as a power function (POW), called FENE-POW, is used to describe the elastic properties of the RBC membrane. The mechanical interaction between the lipid bilayer and the cytoskeleton is explicitly computed and incorporated into the vesicle model. Our model includes the fundamental mechanical properties of the RBC membrane, namely fluidity and bending rigidity of the lipid bilayer, and shear elasticity of the cytoskeleton while maintaining surface-area and volume conservation constraint. We present three simulation examples to demonstrate the effectiveness of this hybrid continuum-coarse-grained model for the study of RBCs in fluid flows.
Constitutive relationships and models in continuum theories of multiphase flows
International Nuclear Information System (INIS)
Decker, R.
1989-09-01
In April, 1989, a workshop on constitutive relationships and models in continuum theories of multiphase flows was held at NASA's Marshall Space Flight Center. Topics of constitutive relationships for the partial or per phase stresses, including the concept of solid phase pressure are discussed. Models used for the exchange of mass, momentum, and energy between the phases in a multiphase flow are also discussed. The program, abstracts, and texts of the presentations from the workshop are included
SR 97. Alternative models project. Stochastic continuum modelling of Aberg
International Nuclear Information System (INIS)
Widen, H.; Walker, D.
1999-08-01
As part of studies into the siting of a deep repository for nuclear waste, Swedish Nuclear Fuel and Waste Management Company (SKB) has commissioned the Alternative Models Project (AMP). The AMP is a comparison of three alternative modelling approaches to bedrock performance assessment for a single hypothetical repository, arbitrarily named Aberg. The Aberg repository will adopt input parameters from the Aespoe Hard Rock Laboratory in southern Sweden. The models are restricted to an explicit domain, boundary conditions and canister location to facilitate the comparison. The boundary conditions are based on the regional groundwater model provided in digital format. This study is the application of HYDRASTAR, a stochastic continuum groundwater flow and transport-modelling program. The study uses 34 realisations of 945 canister locations in the hypothetical repository to evaluate the uncertainty of the advective travel time, canister flux (Darcy velocity at a canister) and F-ratio. Several comparisons of variability are constructed between individual canister locations and individual realisations. For the ensemble of all realisations with all canister locations, the study found a median travel time of 27 years, a median canister flux of 7.1 x 10 -4 m/yr and a median F-ratio of 3.3 x 10 5 yr/m. The overall pattern of regional flow is preserved in the site-scale model, as is reflected in flow paths and exit locations. The site-scale model slightly over-predicts the boundary fluxes from the single realisation of the regional model. The explicitly prescribed domain was seen to be slightly restrictive, with 6% of the stream tubes failing to exit the upper surface of the model. Sensitivity analysis and calibration are suggested as possible extensions of the modelling study
Challenges in Continuum Modelling of Intergranular Fracture
DEFF Research Database (Denmark)
Coffman, Valerie; Sethna, James P.; Ingraffea, A. R.
2011-01-01
of grain boundaries, but also in crucial ways on edges, corners and triple junctions of even greater geometrical complexity. To address the first two challenges, we explore the physical underpinnings for creating functional forms to capture the hierarchical commensurability structure in the grain boundary......Intergranular fracture in polycrystals is often simulated by finite elements coupled to a cohesive zone model for the interfaces, requiring cohesive laws for grain boundaries as a function of their geometry. We discuss three challenges in understanding intergranular fracture in polycrystals. First...... properties. To address the last challenge, we demonstrate a method for atomistically extracting the fracture properties of geometrically complex local regions on the fly from within a finite element simulation....
Continuum symmetry restoration in lattice models with staggered fermions
International Nuclear Information System (INIS)
Morel, A.
1986-09-01
This talk is a report on results obtained by T. Jolicoeur, R. Lacaze, B. Petersson and the author: staggered fermions can be consistently interpreted as flavoured quarks in the continuum limit of asymptotically free theories on the lattice. This statement is supported by analytical results for the Gross-Neveu model at large N and for a QCD two point function, and by a numerical simulation of SU(2) quenched QCD
Continuum modelling for carbon and boron nitride nanostructures
International Nuclear Information System (INIS)
Thamwattana, Ngamta; Hill, James M
2007-01-01
Continuum based models are presented here for certain boron nitride and carbon nanostructures. In particular, certain fullerene interactions, C 60 -C 60 , B 36 N 36 -B 36 N 36 and C 60 -B 36 N 36 , and fullerene-nanotube oscillator interactions, C 60 -boron nitride nanotube, C 60 -carbon nanotube, B 36 N 36 -boron nitride nanotube and B 36 N 36 -carbon nanotube, are studied using the Lennard-Jones potential and the continuum approach, which assumes a uniform distribution of atoms on the surface of each molecule. Issues regarding the encapsulation of a fullerene into a nanotube are also addressed, including acceptance and suction energies of the fullerenes, preferred position of the fullerenes inside the nanotube and the gigahertz frequency oscillation of the inner molecule inside the outer nanotube. Our primary purpose here is to extend a number of established results for carbon to the boron nitride nanostructures
Nebular Continuum and Line Emission in Stellar Population Synthesis Models
Energy Technology Data Exchange (ETDEWEB)
Byler, Nell; Dalcanton, Julianne J. [Department of Astronomy, University of Washington, Box 351580, Seattle, WA 98195 (United States); Conroy, Charlie; Johnson, Benjamin D., E-mail: ebyler@astro.washington.edu [Department of Astronomy, Harvard University, Cambridge, MA 02138 (United States)
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 H α , 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.
From cells to tissue: A continuum model of epithelial mechanics
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.
Coupling of nonlocal and local continuum models by the Arlequinapproach
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.
A 3D Orthotropic Elastic Continuum Damage Material Model
Energy Technology Data Exchange (ETDEWEB)
English, Shawn Allen [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Brown, Arthur A. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)
2013-08-01
A three dimensional orthotropic elastic constitutive model with continuum damage is implemented for polymer matrix composite lamina. Damage evolves based on a quadratic homogeneous function of thermodynamic forces in the orthotropic planes. A small strain formulation is used to assess damage. In order to account for large deformations, a Kirchhoff material formulation is implemented and coded for numerical simulation in Sandia’s Sierra Finite Element code suite. The theoretical formulation is described in detail. An example of material parameter determination is given and an example is presented.
On the equivalence of continuum and lattice models for fluids
International Nuclear Information System (INIS)
Panagiotopoulos, Athanassios Z.
2000-01-01
It was demonstrated that finely discretized lattice models for fluids with particles interacting via Lennard-Jones or exponential-6 potentials have essentially identical thermodynamic and structural properties to their continuum counterparts. Grand canonical histogram reweighting Monte Carlo calculations were performed for systems with repulsion exponents between 11 and 22. Critical parameters were determined from mixed-field finite-size scaling methods. Numerical equivalence of lattice and continuous space models, within simulation uncertainties, was observed for lattices with ratio of particle diameter σ to grid spacing of 10. The lattice model calculations were more efficient computationally by factors between 10 and 20. It was also shown that Lennard-Jones and exponential-6 based models with identical critical properties can be constructed by appropriate choice of the repulsion exponent. (c) 2000 American Institute of Physics
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.
Traveling waves in a continuum model of 1D schools
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.
Benchmarking Continuum Solvent Models for Keto-Enol Tautomerizations.
McCann, Billy W; McFarland, Stuart; Acevedo, Orlando
2015-08-13
Experimental free energies of tautomerization, ΔGT, were used to benchmark the gas-phase predictions of 17 different quantum mechanical methods and eight basis sets for seven keto-enol tautomer pairs dominated by their enolic form. The G4 method and M06/6-31+G(d,p) yielded the most accurate results, with mean absolute errors (MAE's) of 0.95 and 0.71 kcal/mol, respectively. Using these two theory levels, the solution-phase ΔGT values for 23 unique tautomer pairs composed of aliphatic ketones, β-dicarbonyls, and heterocycles were computed in multiple protic and aprotic solvents. The continuum solvation models, namely, polarizable continuum model (PCM), polarizable conductor calculation model (CPCM), and universal solvation model (SMD), gave relatively similar MAE's of ∼1.6-1.7 kcal/mol for G4 and ∼1.9-2.0 kcal/mol with M06/6-31+G(d,p). Partitioning the tautomer pairs into their respective molecular types, that is, aliphatic ketones, β-dicarbonyls, and heterocycles, and separating out the aqueous versus nonaqueous results finds G4/PCM utilizing the UA0 cavity to be the overall most accurate combination. Free energies of activation, ΔG(‡), for the base-catalyzed keto-enol interconversion of 2-nitrocyclohexanone were also computed using six bases and five solvents. The M06/6-31+G(d,p) reproduced the ΔG(‡) with MAE's of 1.5 and 1.8 kcal/mol using CPCM and SMD, respectively, for all combinations of base and solvent. That specific enolization was previously proposed to proceed via a concerted mechanism in less polar solvents but shift to a stepwise mechanism in more polar solvents. However, the current calculations suggest that the stepwise mechanism operates in all solvents.
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.
Other relevant numerical modelling papers
International Nuclear Information System (INIS)
Chartier, M.
1989-01-01
The ocean modelling is a rapidly evolving science and a large number of results have been published. Several categories of papers are of particular interest for this review: the papers published by the international atomic institutions, such as the NEA (for the CRESP or Subseabed Programs), the IAEA (for example the Safety Series, the Technical Report Series or the TECDOC), and the ICRP, and the papers concerned by more fundamental research, which are published in specific scientific literature. This paper aims to list some of the most relevant publications for the CRESP purposes. It means by no way to be exhaustive, but informative on the incontestable progress recently achieved in that field. One should note that some of these papers are so recent that their final version has not yet been published
Continuum modelling of segregating tridisperse granular chute flow
Deng, Zhekai; Umbanhowar, Paul B.; Ottino, Julio M.; Lueptow, Richard M.
2018-03-01
Segregation and mixing of size multidisperse granular materials remain challenging problems in many industrial applications. In this paper, we apply a continuum-based model that captures the effects of segregation, diffusion and advection for size tridisperse granular flow in quasi-two-dimensional chute flow. The model uses the kinematics of the flow and other physical parameters such as the diffusion coefficient and the percolation length scale, quantities that can be determined directly from experiment, simulation or theory and that are not arbitrarily adjustable. The predictions from the model are consistent with experimentally validated discrete element method (DEM) simulations over a wide range of flow conditions and particle sizes. The degree of segregation depends on the Péclet number, Pe, defined as the ratio of the segregation rate to the diffusion rate, the relative segregation strength κij between particle species i and j, and a characteristic length L, which is determined by the strength of segregation between smallest and largest particles. A parametric study of particle size, κij, Pe and L demonstrates how particle segregation patterns depend on the interplay of advection, segregation and diffusion. Finally, the segregation pattern is also affected by the velocity profile and the degree of basal slip at the chute surface. The model is applicable to different flow geometries, and should be easily adapted to segregation driven by other particle properties such as density and shape.
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,…
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.
Romano, Antonio
2010-01-01
This book offers a broad overview of the potential of continuum mechanics to describe a wide range of macroscopic phenomena in real-world problems. Building on the fundamentals presented in the authors' previous book, Continuum Mechanics using Mathematica(R), this new work explores interesting models of continuum mechanics, with an emphasis on exploring the flexibility of their applications in a wide variety of fields.Specific topics, which have been chosen to show the power of continuum mechanics to characterize the experimental behavior of real phenomena, include: * various aspects of nonlin
Coupling of nonlocal and local continuum models by the Arlequinapproach
Han, Fei; Lubineau, Gilles
2011-01-01
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
Aggregation patterns from nonlocal interactions: Discrete stochastic and continuum modeling
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.
PREFACE: Continuum Models and Discrete Systems Symposia (CMDS-12)
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
Dynamic Modelling for Planar Extensible Continuum Robot Manipulators
2006-01-01
to the OCTARM continuum ma- nipulator. The OCTARM manipulator is a biologically inspired soft robot manipulator resembling an elephant trunk or an... octopus arm [18]. The OCTARM, shown in Figure 1, is a three-section robot with nine degrees of freedom. Aside from two axis bending with constant...increasing interest in designing �biologically inspired � continuum robots . Some of these designs are mimicking trunks [8], [25], tentacles [17], [21], [24
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.
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
A continuum mathematical model of endothelial layer maintenance and senescence.
Wang, Ying; Aguda, Baltazar D; Friedman, Avner
2007-08-10
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. 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. 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 rates of EC progenitor cells.
Modeling biological tissue growth: discrete to continuum representations.
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.
A continuum model for flow induced by metachronal coordination between beating cilia
Hussong, J.; Breugem, W.P.; Westerweel, J.
2011-01-01
In this numerical study we investigate the flow induced by metachronal coordination between beating cilia arranged in a densely packed layer by means of a continuum model. The continuum approach allows us to treat the problem as two-dimensional as well as stationary, in a reference frame moving with
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.
A constitutive model of soft tissue: From nanoscale collagen to tissue continuum
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.
Nuclear models relevant to evaluation
International Nuclear Information System (INIS)
Arthur, E.D.; Chadwick, M.B.; Hale, G.M.; Young, P.G.
1991-01-01
The widespread use of nuclear models continues in the creation of data evaluations. The reasons include extension of data evaluations to higher energies, creation of data libraries for isotopic components of natural materials, and production of evaluations for radiative target species. In these cases, experimental data are often sparse or nonexistent. As this trend continues, the nuclear models employed in evaluation work move towards more microscopically-based theoretical methods, prompted in part by the availability of increasingly powerful computational resources. Advances in nuclear models applicable to evaluation will be reviewed. These include advances in optical model theory, microscopic and phenomenological state and level density theory, unified models that consistently describe both equilibrium and nonequilibrium reaction mechanism, and improved methodologies for calculation of prompt radiation from fission. 84 refs., 8 figs
Solar radio continuum storms and a breathing magnetic field model. Final report
International Nuclear Information System (INIS)
1975-01-01
Radio noise continuum emissions observed in metric and decametric wave frequencies are, in general, associated with actively varying sunspot groups accompanied by the S-component of microwave radio emissions. These continuum emission sources, often called type I storm sources, are often associated with type III burst storm activity from metric to hectometric wave frequencies. This storm activity is, therefore, closely connected with the development of these continuum emission sources. It is shown that the S-component emission in microwave frequencies generally precedes, by several days, the emission of these noise continuum storms of lower frequencies. In order for these storms to develop, the growth of sunspot groups into complex types is very important in addition to the increase of the average magnetic field intensity and area of these groups. After giving a review on the theory of these noise continuum storm emissions, a model is briefly considered to explain the relation of the emissions to the storms
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.
Non-classical solutions of a continuum model for rock descriptions
Directory of Open Access Journals (Sweden)
Mikhail A. Guzev
2014-06-01
Full Text Available The strain-gradient and non-Euclidean continuum theories are employed for construction of non-classical solutions of continuum models. The linear approximation of both models' results in identical structures in terms of their kinematic and stress characteristics. The solutions obtained in this study exhibit a critical behaviour with respect to the external loading parameter. The conclusions are obtained based on an investigation of the solution for the scalar curvature in the non-Euclidean continuum theory. The proposed analysis enables us to use different theoretical approaches for description of rock critical behaviour under different loading conditions.
3D continuum phonon model for group-IV 2D materials
Willatzen, Morten; Lew Yan Voon, Lok C; Gandi, Appala; Schwingenschlö gl, 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
Fluid-Structure Interaction in Continuum Models of Bacterial Biofilms
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
Use of a finite range nucleon-nucleon interaction in the continuum shell model
International Nuclear Information System (INIS)
Faes, Jean-Baptiste
2007-01-01
The unification of nuclear structure and nuclear reactions was always a great challenge of nuclear physics. The extreme complexity of finite quantum systems lead in the past to a separate development of the nuclear structure and the nuclear reactions. A unified description of structure and reactions is possible within the continuum shell model. All previous applications of this model used the zero-range residual interaction and the finite depth local potential to generate the single-particle basis. In the thesis, we have presented an extension of the continuum shell model for finite-range nucleon-nucleon interaction and an arbitrary number of nucleons in the scattering continuum. The great advantage of the present formulation is the same two-body interaction used both to generate the single-particle basis and to describe couplings to the continuum states. This formulation opens a possibility for an ab initio continuum shell model studies with the same nucleon-nucleon interaction generating the nuclear mean field, the configuration mixing and the coupling to the scattering continuum. First realistic applications of the above model has been shown for spectra of "1"7F and "1"7O, and elastic phase-shifts in the reaction "1"6O(p, p)"1"6O. (author)
A continuum model for pressure-flow relationship in human pulmonary circulation.
Huang, Wei; Zhou, Qinlian; Gao, Jian; Yen, R T
2011-06-01
A continuum model was introduced to analyze the pressure-flow relationship for steady flow in human pulmonary circulation. The continuum approach was based on the principles of continuum mechanics in conjunction with detailed measurement of vascular geometry, vascular elasticity and blood rheology. The pulmonary arteries and veins were considered as elastic tubes and the "fifth-power law" was used to describe the pressure-flow relationship. For pulmonary capillaries, the "sheet-flow" theory was employed and the pressure-flow relationship was represented by the "fourth-power law". In this paper, the pressure-flow relationship for the whole pulmonary circulation and the longitudinal pressure distribution along the streamlines were studied. Our computed data showed general agreement with the experimental data for the normal subjects and the patients with mitral stenosis and chronic bronchitis in the literature. In conclusion, our continuum model can be used to predict the changes of steady flow in human pulmonary circulation.
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.
Drift Scale Modeling: Study of Unsaturated Flow into a Drift Using a Stochastic Continuum Model
International Nuclear Information System (INIS)
Birkholzer, J.T.; Tsang, C.F.; Tsang, Y.W.; Wang, J.S
1996-01-01
Unsaturated flow in heterogeneous fractured porous rock was simulated using a stochastic continuum model (SCM). In this model, both the more conductive fractures and the less permeable matrix are generated within the framework of a single continuum stochastic approach, based on non-parametric indicator statistics. High-permeable fracture zones are distinguished from low-permeable matrix zones in that they have assigned a long range correlation structure in prescribed directions. The SCM was applied to study small-scale flow in the vicinity of an access tunnel, which is currently being drilled in the unsaturated fractured tuff formations at Yucca Mountain, Nevada. Extensive underground testing is underway in this tunnel to investigate the suitability of Yucca Mountain as an underground nuclear waste repository. Different flow scenarios were studied in the present paper, considering the flow conditions before and after the tunnel emplacement, and assuming steady-state net infiltration as well as episodic pulse infiltration. Although the capability of the stochastic continuum model has not yet been fully explored, it has been demonstrated that the SCM is a good alternative model feasible of describing heterogeneous flow processes in unsaturated fractured tuff at Yucca Mountain
Reproducing the nonlinear dynamic behavior of a structured beam with a generalized continuum model
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.
Passage relevance models for genomics search
Directory of Open Access Journals (Sweden)
Frieder Ophir
2009-03-01
Full Text Available Abstract We present a passage relevance model for integrating syntactic and semantic evidence of biomedical concepts and topics using a probabilistic graphical model. Component models of topics, concepts, terms, and document are represented as potential functions within a Markov Random Field. The probability of a passage being relevant to a biologist's information need is represented as the joint distribution across all potential functions. Relevance model feedback of top ranked passages is used to improve distributional estimates of query concepts and topics in context, and a dimensional indexing strategy is used for efficient aggregation of concept and term statistics. By integrating multiple sources of evidence including dependencies between topics, concepts, and terms, we seek to improve genomics literature passage retrieval precision. Using this model, we are able to demonstrate statistically significant improvements in retrieval precision using a large genomics literature corpus.
Realistic Gamow shell model for resonance and continuum in atomic nuclei
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.
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.
Moving contact lines: linking molecular dynamics and continuum-scale modelling.
Smith, Edward R; Theodorakis, Panagiotis E; Craster, Richard V; Matar, Omar K
2018-05-04
Despite decades of research, the modelling of moving contact lines has remained a formidable challenge in fluid dynamics whose resolution will impact numerous industrial, biological, and daily-life applications. On the one hand, molecular dynamics (MD) simulation has the ability to provide unique insight into the microscopic details that determine the dynamic behavior of the contact line, which is not possible with either continuum-scale simulations or experiments. On the other hand, continuum-based models provide the link to the macroscopic description of the system. In this Feature Article, we explore the complex range of physical factors, including the presence of surfactants, which govern the contact line motion through MD simulations. We also discuss links between continuum- and molecular-scale modelling, and highlight the opportunities for future developments in this area.
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;…
Construction of quantized gauge fields: continuum limit of the Abelian Higgs model in two dimensions
International Nuclear Information System (INIS)
Seiler, E.
1981-01-01
The author proves the existence of the continuum limit of the two-dimensional Higgs model for two cases: External gauge fields that are Hoelder continuous and may be non-Abelian, and the fully quantized Abelian model. In the latter case all Wightman axioms are verified except clustering. Important ingredients are a universal diamagnetic bound and correlation inequalities. (Auth.)
A continuum-based structural modeling approach for cellulose nanocrystals (CNCs)
Mehdi Shishehbor; Fernando L. Dri; Robert J. Moon; Pablo D. Zavattieri
2018-01-01
We present a continuum-based structural model to study the mechanical behavior of cel- lulose 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 be- havior is obtained...
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.
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.
Towards increased policy relevance in energy modeling
Energy Technology Data Exchange (ETDEWEB)
Worrell, Ernst; Ramesohl, Stephan; Boyd, Gale
2003-07-29
Historically, most energy models were reasonably equipped to assess the impact of a subsidy or change in taxation, but are often insufficient to assess the impact of more innovative policy instruments. We evaluate the models used to assess future energy use, focusing on industrial energy use. We explore approaches to engineering-economic analysis that could help improve the realism and policy relevance of engineering-economic modeling frameworks. We also explore solutions to strengthen the policy usefulness of engineering-economic analysis that can be built from a framework of multi-disciplinary cooperation. We focus on the so-called ''engineering-economic'' (or ''bottom-up'') models, as they include the amount of detail that is commonly needed to model policy scenarios. We identify research priorities for the modeling framework, technology representation in models, policy evaluation and modeling of decision-making behavior.
Discrete-to-continuum modelling of weakly interacting incommensurate two-dimensional lattices.
Español, Malena I; Golovaty, Dmitry; Wilber, J Patrick
2018-01-01
In this paper, we derive a continuum variational model for a two-dimensional deformable lattice of atoms interacting with a two-dimensional rigid lattice. The starting point is a discrete atomistic model for the two lattices which are assumed to have slightly different lattice parameters and, possibly, a small relative rotation. This is a prototypical example of a three-dimensional system consisting of a graphene sheet suspended over a substrate. We use a discrete-to-continuum procedure to obtain the continuum model which recovers both qualitatively and quantitatively the behaviour observed in the corresponding discrete model. The continuum model predicts that the deformable lattice develops a network of domain walls characterized by large shearing, stretching and bending deformation that accommodates the misalignment and/or mismatch between the deformable and rigid lattices. Two integer-valued parameters, which can be identified with the components of a Burgers vector, describe the mismatch between the lattices and determine the geometry and the details of the deformation associated with the domain walls.
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.
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...... as computed by the present model are in good agreement with results from atomistic and atomistic-continuum simulations at a fraction of the computational cost. We simulate the flow past a single fullerene and an array of fullerenes and demonstrate that such nanoscale flows can be computed efficiently...
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...... as computed by the present model are in good agreement with results from atomistic and atomistic-continuum simulations at a fraction of the computational cost. We simulate the flow past a single fullerene and an array of fullerenes and demonstrate that such nanoscale flows can be computed efficiently...
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
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)
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.
Dynamical mass generation in the continuum Thirring model
International Nuclear Information System (INIS)
Girardello, L.; Immirzi, G.; Rossi, P.; Massachusetts Inst. of Tech., Cambridge; Massachusetts Inst. of Tech., Cambridge
1982-01-01
We study the renormalization of the Thirring model in the neighbourhood of μ = 0,g = -π/2, and find that on the trajectory which tends to this point when the scale goes to infinity the behaviour of the model reproduces what one obtains decomposing the N = 2 Gross-Neveu model. The existence of this trajectory is consistent with the dynamical mass generation found by McCoy and Wu in the discrete version of the massless model. (orig.)
Numerical modeling of large field-induced strains in ferroelastic bodies: a continuum approach
International Nuclear Information System (INIS)
Raikher, Yu L; Stolbov, O V
2008-01-01
A consistent continuum model of a soft magnetic elastomer (SME) is presented and developed for the case of finite strain. The numeric algorithm enabling one to find the field-induced shape changes of an SME body is described. The reliability of the method is illustrated by several examples revealing specifics of the magnetostriction effect in SME samples of various geometries
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 ...
A continuum based fem model for friction stir welding-model development
Energy Technology Data Exchange (ETDEWEB)
Buffa, G. [Ohio State University, Department of Industrial, Welding and Systems Engineering, 1971 Neil Avenue, 210 Baker Systems, Columbus, OH 43210 (United States) and Dipartimento di Tecnologia Meccanica, Produzione e Ingegneria Gestionale, Universita di Palermo, Viale delle Scienze, 90128 Palermo (Italy)]. E-mail: g.buffa@dtpm.unipa.it; Hua, J. [Ohio State University, Department of Industrial, Welding and Systems Engineering, 1971 Neil Avenue, 210 Baker Systems, Columbus, OH 43210 (United States)]. E-mail: hua.14@osu.edu; Shivpuri, R. [Ohio State University, Department of Industrial, Welding and Systems Engineering, 1971 Neil Avenue, 210 Baker Systems, Columbus, OH 43210 (United States)]. E-mail: shivpuri.1@osu.edu; Fratini, L. [Dipartimento di Tecnologia Meccanica, Produzione e Ingegneria Gestionale, Universita di Palermo, Viale delle Scienze, 90128 Palermo (Italy)]. E-mail: abaqus@dtpm.unipa.it
2006-03-15
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.
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
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
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
Comparative Assessment of Nonlocal Continuum Solvent Models Exhibiting Overscreening
Directory of Open Access Journals (Sweden)
Ren Baihua
2017-01-01
Full Text Available Nonlocal continua have been proposed to offer a more realistic model for the electrostatic response of solutions such as the electrolyte solvents prominent in biology and electrochemistry. In this work, we review three nonlocal models based on the Landau-Ginzburg framework which have been proposed but not directly compared previously, due to different expressions of the nonlocal constitutive relationship. To understand the relationships between these models and the underlying physical insights from which they are derive, we situate these models into a single, unified Landau-Ginzburg framework. One of the models offers the capacity to interpret how temperature changes affect dielectric response, and we note that the variations with temperature are qualitatively reasonable even though predictions at ambient temperatures are not quantitatively in agreement with experiment. Two of these models correctly reproduce overscreening (oscillations between positive and negative polarization charge densities, and we observe small differences between them when we simulate the potential between parallel plates held at constant potential. These computations require reformulating the two models as coupled systems of local partial differential equations (PDEs, and we use spectral methods to discretize both problems. We propose further assessments to discriminate between the models, particularly in regards to establishing boundary conditions and comparing to explicit-solvent molecular dynamics simulations.
Morphodynamic modeling of the river pattern continuum (Invited)
Nicholas, A. P.
2013-12-01
Numerical models provide valuable tools for integrating understanding of fluvial processes and morphology. Moreover, they have considerable potential for use in investigating river responses to environmental change and catchment management, and for aiding the interpretation of alluvial deposits and landforms. For this potential to be realised fully, such models must be capable of representing diverse river styles and the spatial and temporal transitions between styles that are driven by changes in environmental forcing. However, while numerical modeling of rivers has advanced considerable over the past few decades, this has been accomplished largely by developing separate approaches to modeling single and multi-thread channels. Results are presented here from numerical simulations undertaken using a new model of river and floodplain co-evolution, applied to investigate the morphodynamics of large sand-bed rivers. This model solves the two-dimensional depth-averaged shallow water equations using a Godunov-type finite volume scheme, with a two-fraction representation of sediment transport, and includes the effects of secondary circulation, bank erosion and floodplain development due to the colonization of bar surfaces by vegetation. Simulation results demonstrate the feasibility of representing a wide range of fluvial styles (including braiding, meandering and anabranching channels) using relatively simple physics-based models, and provide insight into the controls on channel pattern diversity in large sand-bed rivers. Analysis of model sensitivity illustrates the important role of upstream boundary conditions as a control on channel dynamics. Moreover, this analysis highlights key uncertainties in model process representation and their implications for modelling river evolution in response to natural and anthropogenic-induced river disturbance.
Detailed analysis of the continuum limit of a supersymmetric lattice model in 1D
International Nuclear Information System (INIS)
Huijse, L
2011-01-01
We present a full identification of lattice model properties with their field theoretical counterparts in the continuum limit for a supersymmetric model for itinerant spinless fermions on a one-dimensional chain. The continuum limit of this model is described by an N=(2,2) superconformal field theory (SCFT) with central charge c = 1. We identify states and operators in the lattice model with fields in the SCFT and we relate boundary conditions on the lattice to sectors in the field theory. We use the dictionary we develop in this paper to give a pedagogical explanation of a powerful tool to study supersymmetric models based on spectral flow (Huijse 2008 Phys. Rev. Lett. 101 146406). Finally, we employ the developed machinery to explain numerically observed properties of the particle density on the open chain presented in Beccaria and De Angelis (2005 Phys. Rev. Lett. 94 100401)
Structural Continuum Modeling of Space Shuttle External Tank Foam Insulation
Steeve, Brian; Ayala, Sam; Purlee, T. Eric; Shaw, Phillip
2006-01-01
This document is a viewgraph presentation reporting on work in modeling the foam insulation of the Space Shuttle External Tank. An analytical understanding of foam mechanics is required to design against structural failure. The Space Shuttle External Tank is covered primarily with closed cell foam to: Prevent ice, Protect structure from ascent aerodynamic and engine plume heating, and Delay break-up during re-entry. It is important that the foam does not shed unacceptable debris during ascent environment. Therefore a modeling of the foam insulation was undertaken.
Continuum model for masonry: Parameter estimation and validation
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
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
Continuum and discrete approach in modeling biofilm development and structure: a review.
Mattei, M R; Frunzo, L; D'Acunto, B; Pechaud, Y; Pirozzi, F; Esposito, G
2018-03-01
The scientific community has recognized that almost 99% of the microbial life on earth is represented by biofilms. Considering the impacts of their sessile lifestyle on both natural and human activities, extensive experimental activity has been carried out to understand how biofilms grow and interact with the environment. Many mathematical models have also been developed to simulate and elucidate the main processes characterizing the biofilm growth. Two main mathematical approaches for biomass representation can be distinguished: continuum and discrete. This review is aimed at exploring the main characteristics of each approach. Continuum models can simulate the biofilm processes in a quantitative and deterministic way. However, they require a multidimensional formulation to take into account the biofilm spatial heterogeneity, which makes the models quite complicated, requiring significant computational effort. Discrete models are more recent and can represent the typical multidimensional structural heterogeneity of biofilm reflecting the experimental expectations, but they generate computational results including elements of randomness and introduce stochastic effects into the solutions.
Continuum model of the two-component Becker-Döring equations
Directory of Open Access Journals (Sweden)
Ali Reza Soheili
2004-01-01
Full Text Available The process of collision between particles is a subject of interest in many fields of physics, astronomy, polymer physics, atmospheric physics, and colloid chemistry. If two types of particles are allowed to participate in the cluster coalescence, then the time evolution of the cluster distribution has been described by an infinite system of ordinary differential equations. In this paper, we describe the model with a second-order two-dimensional partial differential equation, as a continuum model.
Heterogeneous traffic flow modelling using second-order macroscopic continuum model
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.
Continuum modelling of silicon diffusion in indium gallium arsenide
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
Continuum mathematical modelling of pathological growth of blood vessels
Stadnik, N. E.; Dats, E. P.
2018-04-01
The present study is devoted to the mathematical modelling of a human blood vessel pathological growth. The vessels are simulated as the thin-walled circular tube. The boundary value problem of the surface growth of an elastic thin-walled cylinder is solved. The analytical solution is obtained in terms of velocities of stress strain state parameters. The condition of thinness allows us to study finite displacements of cylinder surfaces by means of infinitesimal deformations. The stress-strain state characteristics, which depend on the mechanical parameters of the biological processes, are numerically computed and graphically analysed.
Mathematical Properties Relevant to Geomagnetic Field Modeling
DEFF Research Database (Denmark)
Sabaka, Terence J.; Hulot, Gauthier; Olsen, Nils
2010-01-01
be directly measured. In this chapter, the mathematical foundation of global (as opposed to regional) geomagnetic field modeling is reviewed, and the spatial modeling of the field in spherical coordinates is focussed. Time can be dealt with as an independent variable and is not explicitly considered......Geomagnetic field modeling consists in converting large numbers of magnetic observations into a linear combination of elementary mathematical functions that best describes those observations.The set of numerical coefficients defining this linear combination is then what one refers.......The relevant elementary mathematical functions are introduced, their properties are reviewed, and how they can be used to describe the magnetic field in a source-free (such as the Earth’s neutral atmosphere) or source-dense (such as the ionosphere) environment is explained. Completeness and uniqueness...
Mathematical Properties Relevant to Geomagnetic Field Modeling
DEFF Research Database (Denmark)
Sabaka, Terence J.; Hulot, Gauthier; Olsen, Nils
2014-01-01
be directly measured. In this chapter, the mathematical foundation of global (as opposed to regional) geomagnetic field modeling is reviewed, and the spatial modeling of the field in spherical coordinates is focused. Time can be dealt with as an independent variable and is not explicitly considered......Geomagnetic field modeling consists in converting large numbers of magnetic observations into a linear combination of elementary mathematical functions that best describes those observations. The set of numerical coefficients defining this linear combination is then what one refers....... The relevant elementary mathematical functions are introduced, their properties are reviewed, and how they can be used to describe the magnetic field in a source-free (such as the Earth’s neutral atmosphere) or source-dense (such as the ionosphere) environment is explained. Completeness and uniqueness...
An extended continuum model considering optimal velocity change with memory and numerical tests
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.
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)
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
Landau-Zener transitions and Dykhne formula in a simple continuum model
Dunham, Yujin; Garmon, Savannah
The Landau-Zener model describing the interaction between two linearly driven discrete levels is useful in describing many simple dynamical systems; however, no system is completely isolated from the surrounding environment. Here we examine a generalizations of the original Landau-Zener model to study simple environmental influences. We consider a model in which one of the discrete levels is replaced with a energy continuum, in which we find that the survival probability for the initially occupied diabatic level is unaffected by the presence of the continuum. This result can be predicted by assuming that each step in the evolution for the diabatic state evolves independently according to the Landau-Zener formula, even in the continuum limit. We also show that, at least for the simplest model, this result can also be predicted with the natural generalization of the Dykhne formula for open systems. We also observe dissipation as the non-escape probability from the discrete levels is no longer equal to one.
A software platform for continuum modeling of ion channels based on unstructured mesh
International Nuclear Information System (INIS)
Tu, B; Bai, S Y; Xie, Y; Zhang, L B; Lu, B Z; Chen, M X
2014-01-01
Most traditional continuum molecular modeling adopted finite difference or finite volume methods which were based on a structured mesh (grid). Unstructured meshes were only occasionally used, but an increased number of applications emerge in molecular simulations. To facilitate the continuum modeling of biomolecular systems based on unstructured meshes, we are developing a software platform with tools which are particularly beneficial to those approaches. This work describes the software system specifically for the simulation of a typical, complex molecular procedure: ion transport through a three-dimensional channel system that consists of a protein and a membrane. The platform contains three parts: a meshing tool chain for ion channel systems, a parallel finite element solver for the Poisson–Nernst–Planck equations describing the electrodiffusion process of ion transport, and a visualization program for continuum molecular modeling. The meshing tool chain in the platform, which consists of a set of mesh generation tools, is able to generate high-quality surface and volume meshes for ion channel systems. The parallel finite element solver in our platform is based on the parallel adaptive finite element package PHG which wass developed by one of the authors [1]. As a featured component of the platform, a new visualization program, VCMM, has specifically been developed for continuum molecular modeling with an emphasis on providing useful facilities for unstructured mesh-based methods and for their output analysis and visualization. VCMM provides a graphic user interface and consists of three modules: a molecular module, a meshing module and a numerical module. A demonstration of the platform is provided with a study of two real proteins, the connexin 26 and hemolysin ion channels. (paper)
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.
Continuum model of the two-component Becker-Döring equations
Soheili, Ali Reza
2004-01-01
The process of collision between particles is a subject of interest in many fields of physics, astronomy, polymer physics, atmospheric physics, and colloid chemistry. If two types of particles are allowed to participate in the cluster coalescence, then the time evolution of the cluster distribution has been described by an infinite system of ordinary differential equations. In this paper, we describe the model with a second-order two-dimensional partial differential equation, as a continuum m...
Continuum modelling of pantographic sheets for out-of-plane bifurcation and vibrational analysis
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.
Continuum-kinetic-microscopic model of lung clearance due to core-annular fluid entrainment
International Nuclear Information System (INIS)
Mitran, Sorin
2013-01-01
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
Continuum model for water movement in an unsaturated fractured rock mass
International Nuclear Information System (INIS)
Peters, R.R.; Klavetter, E.A.
1988-01-01
The movement of fluids in a fractured, porous medium has been the subject of considerable study. This paper presents a continuum model that may be used to evaluate the isothermal movement of water in an unsaturated, fractured, porous medium under slowly changing conditions. This continuum model was developed for use in evaluating the unsaturated zone at the Yucca Mountain site as a potential repository for high-level nuclear waste. Thus its development has been influenced by the conditions thought to be present at Yucca Mountain. A macroscopic approach and a microscopic approach are used to develop a continuum model to evaluate water movement in a fractured rock mass. Both approaches assume that the pressure head in the fractures and the matrix are identical in a plane perpendicular to flow. Both approaches lead to a single-flow equation for a fractured rock mass. The two approaches are used to calculate unsaturated hydrologic properties, i.e., relative permeability and saturation as a function of pressure head, for several types of tuff underlying Yucca Mountain, using the best available hydrologic data for the matrix and the fractures. Rock mass properties calculated by both approaches are similar
Chhabra, S; Badcock, J C; Maybery, M T
2013-07-01
Both clinical and non-clinical auditory hallucinations (AH) have been associated with source memory deficits, supporting a continuum of underlying cognitive mechanisms, though few studies have employed the same task in patient and nonpatient samples. Recent commentators have called for more debate on the continuum model of psychosis. Consequently, the current study investigated the continuity model of AH with reference to memory binding. We used an identical voice and word recognition memory task to assess binding in two separate studies of: (1) healthy hallucination-prone individuals and controls (30 high and 30 low scorers on the Launay-Slade Hallucination Scale-Revised) and (2) schizophrenia patient samples (32 with AH, 32 without AH) and 32 healthy controls. There was no evidence of impaired binding in high hallucination-prone, compared to low hallucination-prone individuals. In contrast, individuals with schizophrenia (both with and without AH) had difficulties binding (remembering "who said what"), alongside difficulties remembering individual words and voices. Binding ability and memory for voices were also negatively linked to the loudness of hallucinated voices reported by patients with AH. These findings suggest that different mechanisms may exist in clinical and non-clinical hallucinators, adding to the growing debate on the continuum model of psychotic symptoms.
Structural Model Error and Decision Relevancy
Goldsby, M.; Lusk, G.
2017-12-01
The extent to which climate models can underwrite specific climate policies has long been a contentious issue. Skeptics frequently deny that climate models are trustworthy in an attempt to undermine climate action, whereas policy makers often desire information that exceeds the capabilities of extant models. While not skeptics, a group of mathematicians and philosophers [Frigg et al. (2014)] recently argued that even tiny differences between the structure of a complex dynamical model and its target system can lead to dramatic predictive errors, possibly resulting in disastrous consequences when policy decisions are based upon those predictions. They call this result the Hawkmoth effect (HME), and seemingly use it to rebuke rightwing proposals to forgo mitigation in favor of adaptation. However, a vigorous debate has emerged between Frigg et al. on one side and another philosopher-mathematician pair [Winsberg and Goodwin (2016)] on the other. On one hand, Frigg et al. argue that their result shifts the burden to climate scientists to demonstrate that their models do not fall prey to the HME. On the other hand, Winsberg and Goodwin suggest that arguments like those asserted by Frigg et al. can be, if taken seriously, "dangerous": they fail to consider the variety of purposes for which models can be used, and thus too hastily undermine large swaths of climate science. They put the burden back on Frigg et al. to show their result has any effect on climate science. This paper seeks to attenuate this debate by establishing an irenic middle position; we find that there is more agreement between sides than it first seems. We distinguish a `decision standard' from a `burden of proof', which helps clarify the contributions to the debate from both sides. In making this distinction, we argue that scientists bear the burden of assessing the consequences of HME, but that the standard Frigg et al. adopt for decision relevancy is too strict.
Continuum shell-model study of 16O and 40Ca
International Nuclear Information System (INIS)
Heil, V.; Stock, W.
1976-06-01
Continuum shell-model calculations of the E1 and E2 strengths in 16 O and 40 Ca are presented. A consistent microscopic description of both the giant resonances and isospin forbidden E1- transitions between bound states can be achieved through 1) a careful choice of the single-particle potential, 2) the use of a finite-range residual interaction (including the Coulomb particle-hole force), and 3) the removal of spurious states. The results obtained within the separation expansion approximation of Birkholz are in reasonable agreement with measured photonucleon angular distributions and formfactors for electroexcitation. The influence of the continuum on the isospin mixing in bound states is found to be very strong. (orig.) [de
Study on an equivalent continuum model at the Mizunami Underground Research Laboratory
International Nuclear Information System (INIS)
Tanno, Takeo; Sato, Toshinori; Matsui, Hiroya; Sanada, Hiroyuki; Kumasaka, Hiroo; Tada, Hiroyuki
2012-01-01
The Japan Atomic Energy Agency (JAEA) is conducting the MIzunami Underground research laboratory (MIU) Project in order to develop comprehensive geological investigation and engineering techniques for deep underground applications (e.g. geological disposal of HLW). This modelling study has a two-fold objective, to contribute to the evaluation of the mechanical stability of shaft and research drifts, and to plan the future studies. A crack tensor model, a method of an equivalent continuum model, has been studied at the MIU. In this study, the relationship between the estimated crack tensor parameters and the rock mass classification was revealed. (author)
A continuum membrane model for small deformations of a spider orb-web
Morassi, Antonino; Soler, Alejandro; Zaera, Ramón
2017-09-01
In this paper we propose a continuum membrane model for the infinitesimal deformation of a spider web. The model is derived in the simple context of axially-symmetric webs formed by radial threads connected with circumferential threads belonging to concentric circles. Under suitable assumption on the tensile pre-stress acting in the referential configuration, the out-of-plane static equilibrium and the free transverse and in-plane vibration of a supported circular orb-web are studied in detail. The accuracy of the model in describing a discrete spider web is numerically investigated.
Ionic Solution: What Goes Right and Wrong with Continuum Solvation Modeling.
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.
Sendova, T.; Walton, J. R.
2010-01-01
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
Validation of the Continuum of Care Conceptual Model for Athletic Therapy
Directory of Open Access Journals (Sweden)
Mark R. Lafave
2015-01-01
Full Text Available Utilization of conceptual models in field-based emergency care currently borrows from existing standards of medical and paramedical professions. The purpose of this study was to develop and validate a comprehensive conceptual model that could account for injuries ranging from nonurgent to catastrophic events including events that do not follow traditional medical or prehospital care protocols. The conceptual model should represent the continuum of care from the time of initial injury spanning to an athlete’s return to participation in their sport. Finally, the conceptual model should accommodate both novices and experts in the AT profession. This paper chronicles the content validation steps of the Continuum of Care Conceptual Model for Athletic Therapy (CCCM-AT. The stages of model development were domain and item generation, content expert validation using a three-stage modified Ebel procedure, and pilot testing. Only the final stage of the modified Ebel procedure reached a priori 80% consensus on three domains of interest: (1 heading descriptors; (2 the order of the model; (3 the conceptual model as a whole. Future research is required to test the use of the CCCM-AT in order to understand its efficacy in teaching and practice within the AT discipline.
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)
Homogeneity of Continuum Model of an Unsteady State Fixed Bed Reactor for Lean CH4 Oxidation
Directory of Open Access Journals (Sweden)
Subagjo
2014-07-01
Full Text Available In this study, the homogeneity of the continuum model of a fixed bed reactor operated in steady state and unsteady state systems for lean CH4 oxidation is investigated. The steady-state fixed bed reactor system was operated under once-through direction, while the unsteady-state fixed bed reactor system was operated under flow reversal. The governing equations consisting of mass and energy balances were solved using the FlexPDE software package, version 6. The model selection is indispensable for an effective calculation since the simulation of a reverse flow reactor is time-consuming. The homogeneous and heterogeneous models for steady state operation gave similar conversions and temperature profiles, with a deviation of 0.12 to 0.14%. For reverse flow operation, the deviations of the continuum models of thepseudo-homogeneous and heterogeneous models were in the range of 25-65%. It is suggested that pseudo-homogeneous models can be applied to steady state systems, whereas heterogeneous models have to be applied to unsteady state systems.
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.
Continuum damage model for ferroelectric materials and its application to multilayer actuators
Gellmann, Roman; Ricoeur, Andreas
2016-05-01
In this paper a micromechanical continuum damage model for ferroelectric materials is presented. As a constitutive law it is implemented into a finite element (FE) code. The model is based on micromechanical considerations of domain switching and its interaction with microcrack growth and coalescence. A FE analysis of a multilayer actuator is performed, showing the initiation of damage zones at the electrode tips during the poling process. Further, the influence of mechanical pre-stressing on damage evolution and actuating properties is investigated. The results provided in this work give useful information on the damage of advanced piezoelectric devices and their optimization.
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.
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.
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.
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.
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.
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.)
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.
The effect of diffusion in a new viscous continuum traffic model
International Nuclear Information System (INIS)
Yu Lei; Li Tong; Shi Zhongke
2010-01-01
In this Letter, we propose a new continuum traffic model with a viscous term. The linear stability condition for viscous shock waves is derived. We derive the Korteweg-de Vries (KdV) equation near the neutral stability line. Then we investigate the effect of the viscous term by numerical simulations. The results show that viscosity may induce oscillations and the amplitude of the oscillation increases as the viscosity coefficient increases. This agrees with the linear stability condition. The local clusters are compressed by increasing the viscosity coefficient in the cluster study.
The effect of diffusion in a new viscous continuum traffic model
Energy Technology Data Exchange (ETDEWEB)
Yu Lei, E-mail: yuleijk@126.co [College of Automation, Northwestern Polytechnical University, Xi' an, ShaanXi (China); Li Tong [Department of Mathematics, University of Iowa, Iowa City, IA (United States); Shi Zhongke [College of Automation, Northwestern Polytechnical University, Xi' an, ShaanXi (China)
2010-05-10
In this Letter, we propose a new continuum traffic model with a viscous term. The linear stability condition for viscous shock waves is derived. We derive the Korteweg-de Vries (KdV) equation near the neutral stability line. Then we investigate the effect of the viscous term by numerical simulations. The results show that viscosity may induce oscillations and the amplitude of the oscillation increases as the viscosity coefficient increases. This agrees with the linear stability condition. The local clusters are compressed by increasing the viscosity coefficient in the cluster study.
Elasticity of fractal materials using the continuum model with non-integer dimensional space
Tarasov, Vasily E.
2015-01-01
Using a generalization of vector calculus for space with non-integer dimension, we consider elastic properties of fractal materials. Fractal materials are described by continuum models with non-integer dimensional space. A generalization of elasticity equations for non-integer dimensional space, and its solutions for the equilibrium case of fractal materials are suggested. Elasticity problems for fractal hollow ball and cylindrical fractal elastic pipe with inside and outside pressures, for rotating cylindrical fractal pipe, for gradient elasticity and thermoelasticity of fractal materials are solved.
Kittell, D. E.; Yarrington, C. D.; Lechman, J. B.; Baer, M. R.
2018-05-01
A new paradigm is introduced for modeling reactive shock waves in heterogeneous solids at the continuum level. Inspired by the probability density function methods from turbulent reactive flows, it is hypothesized that the unreacted material microstructures lead to a distribution of heat release rates from chemical reaction. Fluctuations in heat release, rather than velocity, are coupled to the reactive Euler equations which are then solved via the Riemann problem. A numerically efficient, one-dimensional hydrocode is used to demonstrate this new approach, and simulation results of a representative impact calculation (inert flyer into explosive target) are discussed.
Kanematsu, Yusuke; Tachikawa, Masanori
2015-05-21
Multicomponent quantum mechanical (MC_QM) calculations with polarizable continuum model (PCM) have been tested against liquid (1)H NMR chemical shifts for a test set of 80 molecules. Improvement from conventional quantum mechanical calculations was achieved for MC_QM calculations. The advantage of the multicomponent scheme could be attributed to the geometrical change from the equilibrium geometry by the incorporation of the hydrogen nuclear quantum effect, while that of PCM can be attributed to the change of the electronic structure according to the polarization by solvent effects.
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.
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.
Bardhan, Jaydeep P; Knepley, Matthew G; Anitescu, Mihai
2009-03-14
The importance of electrostatic interactions in molecular biology has driven extensive research toward the development of accurate and efficient theoretical and computational models. Linear continuum electrostatic theory has been surprisingly successful, but the computational costs associated with solving the associated partial differential equations (PDEs) preclude the theory's use in most dynamical simulations. Modern generalized-Born models for electrostatics can reproduce PDE-based calculations to within a few percent and are extremely computationally efficient but do not always faithfully reproduce interactions between chemical groups. Recent work has shown that a boundary-integral-equation formulation of the PDE problem leads naturally to a new approach called boundary-integral-based electrostatics estimation (BIBEE) to approximate electrostatic interactions. In the present paper, we prove that the BIBEE method can be used to rigorously bound the actual continuum-theory electrostatic free energy. The bounds are validated using a set of more than 600 proteins. Detailed numerical results are presented for structures of the peptide met-enkephalin taken from a molecular-dynamics simulation. These bounds, in combination with our demonstration that the BIBEE methods accurately reproduce pairwise interactions, suggest a new approach toward building a highly accurate yet computationally tractable electrostatic model.
Energy Technology Data Exchange (ETDEWEB)
Bardhan, J. P.; Knepley, M. G.; Anitescu, M. (Biosciences Division); ( MCS); (Rush Univ.)
2009-03-01
The importance of electrostatic interactions in molecular biology has driven extensive research toward the development of accurate and efficient theoretical and computational models. Linear continuum electrostatic theory has been surprisingly successful, but the computational costs associated with solving the associated partial differential equations (PDEs) preclude the theory's use in most dynamical simulations. Modern generalized-Born models for electrostatics can reproduce PDE-based calculations to within a few percent and are extremely computationally efficient but do not always faithfully reproduce interactions between chemical groups. Recent work has shown that a boundary-integral-equation formulation of the PDE problem leads naturally to a new approach called boundary-integral-based electrostatics estimation (BIBEE) to approximate electrostatic interactions. In the present paper, we prove that the BIBEE method can be used to rigorously bound the actual continuum-theory electrostatic free energy. The bounds are validated using a set of more than 600 proteins. Detailed numerical results are presented for structures of the peptide met-enkephalin taken from a molecular-dynamics simulation. These bounds, in combination with our demonstration that the BIBEE methods accurately reproduce pairwise interactions, suggest a new approach toward building a highly accurate yet computationally tractable electrostatic model.
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.
Continuum-level modelling of cellular adhesion and matrix production in aggregates.
Geris, Liesbet; Ashbourn, Joanna M A; Clarke, Tim
2011-05-01
Key regulators in tissue-engineering processes such as cell culture and cellular organisation are the cell-cell and cell-matrix interactions. As mathematical models are increasingly applied to investigate biological phenomena in the biomedical field, it is important, for some applications, that these models incorporate an adequate description of cell adhesion. This study describes the development of a continuum model that represents a cell-in-gel culture system used in bone-tissue engineering, namely that of a cell aggregate embedded in a hydrogel. Cell adhesion is modelled through the use of non-local (integral) terms in the partial differential equations. The simulation results demonstrate that the effects of cell-cell and cell-matrix adhesion are particularly important for the survival and growth of the cell population and the production of extracellular matrix by the cells, concurring with experimental observations in the literature.
A continuum self organized critically model of turbulent heat transport in tokamaks
Energy Technology Data Exchange (ETDEWEB)
Tangri, V; Das, A; Kaw, P; Singh, R [Institute for Plasma Research, Gandhinagar (India)
2003-09-01
Based on the now well known and experimentally observed critical gradient length (R/L{sub Te} = RT/{nabla}T) in tokamaks, we present a continuum one dimensional model for explaining self organized heat transport in tokamaks. Key parameters of this model include a novel hysteresis parameter which ensures that the switch of heat transport coefficient {chi} upwards and downwards takes place at two different values of R/L{sub Te}. Extensive numerical simulations of this model reproduce many features of present day tokamaks such as submarginal temperature profiles, intermittent transport events, 1/f scaling of the frequency spectra, propagating fronts, etc. This model utilises a minimal set of phenomenological parameters, which may be determined from experiments and/or simulations. Analytical and physical understanding of the observed features has also been attempted. (author)
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
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
Institute of Scientific and Technical Information of China (English)
Sarp Adali
2012-01-01
Equations governing the vibrations and buckling of multilayered orthotropic graphene sheets can be expressed as a system of n partial differential equations where n refers to the number of sheets.This description is based on the continuum model of the graphene sheets which can also take the small scale effects into account by employing a nonlocal theory.In the present article a variational principle is derived for the nonlocal elastic theory of rectangular graphene sheets embedded in an elastic medium and undergoing transverse vibrations.Moreover the graphene sheets are subject to biaxial compression.Rayleigh quotients are obtained for the frequencies of freely vibrating graphene sheets and for the buckling load. The influence of small scale effects on the frequencies and the buckling load can be observed qualiatively from the expressions of the Rayleigh quotients.Elastic medium is modeled as a combination of Winkler and Pasternak foundations acting on the top and bottom layers of the mutilayered nano-structure.Natural boundary conditions of the problem are derived using the variational principle formulated in the study.It is observed that free boundaries lead to coupled boundary conditions due to nonlocal theory used in the continuum formulation while the local (classical) elasticity theory leads to uncoupled boundary conditions.The mathematical methods used in the study involve calculus of variations and the semi-inverse method for deriving the variational integrals.
Kinematics Modelling of Tendon-Driven Continuum Manipulator with Crossed Notches
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.
Loss of mass and performance in skeletal muscle tissue: a continuum model
Directory of Open Access Journals (Sweden)
Giantesio Giulia
2018-02-01
Full Text Available We present a continuum hyperelastic model which describes the mechanical response of a skeletal muscle tissue when its strength and mass are reduced by aging. Such a reduction is typical of a geriatric syndrome called sarcopenia. The passive behavior of the material is described by a hyperelastic, polyconvex, transversely isotropic strain energy function, and the activation of the muscle is modeled by the so called active strain approach. The loss of ability of activating of an elder muscle is then obtained by lowering of some percentage the active part of the stress, while the loss of mass is modeled through a multiplicative decomposition of the deformation gradient. The obtained stress-strain relations are graphically represented and discussed in order to study some of the effects of sarcopenia.
3D continuum phonon model for group-IV 2D materials
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.
Creep Tests and Modeling Based on Continuum Damage Mechanics for T91 and T92 Steels
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.
Governing equations for a seriated continuum: an unequal velocity model for two-phase flow
International Nuclear Information System (INIS)
Solbrig, C.W.; Hughes, E.D.
1975-05-01
The description of the flow of two-phase fluids is important in many engineering devices. Unexpected transient conditions which occur in these devices cannot, in general, be treated with single-component momentum equations. Instead, the use of momentum equations for each phase is necessary in order to describe the varied transient situations which can occur. These transient conditions can include phases moving in the opposite directions, such as steam moving upward and liquid moving downward, as well as phases moving in the same direction. The derivation of continuity and momentum equations for each phase and an overall energy equation for the mixture are presented. Terms describing interphase forces are described. A seriated (series of) continuum is distinguished from an interpenetrating medium by the representation of interphase friction with velocity differences in the former and velocity gradients in the latter. The seriated continuum also considers imbedded stationary solid surfaces such as occur in nuclear reactor cores. These stationary surfaces are taken into account with source terms. Sufficient constitutive equations are presented to form a complete set of equations. Methods are presented to show that all these coefficients are determinable from microscopic models and well known experimental results. Comparison of the present deviation with previous work is also given. The equations derived here may also be employed in certain multiphase, multicomponent flow applications. (U.S.)
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
Investigation of surface boundary conditions for continuum modeling of RF plasmas
Wilson, A.; Shotorban, B.
2018-05-01
This work was motivated by a lacking general consensus in the exact form of the boundary conditions (BCs) required on the solid surfaces for the continuum modeling of Radiofrequency (RF) plasmas. Various kinds of number and energy density BCs on solid surfaces were surveyed, and how they interacted with the electric potential BC to affect the plasma was examined in two fundamental RF plasma reactor configurations. A second-order local mean energy approximation with equations governing the electron and ion number densities and the electron energy density was used to model the plasmas. Zero densities and various combinations of drift, diffusion, and thermal fluxes were considered to set up BCs. It was shown that the choice of BC can have a significant impact on the sheath and bulk plasma. The thermal and diffusion fluxes to the surface were found to be important. A pure drift BC for dielectric walls failed to produce a sheath.
On modeling micro-structural evolution using a higher order strain gradient continuum theory
DEFF Research Database (Denmark)
El-Naaman, S. A.; Nielsen, K. L.; Niordson, C. F.
2016-01-01
is to improve the micro-structural response predicted using strain gradient crystal plasticity within a continuum mechanics framework. One approach to modeling the dislocation structures observed is through a back stress formulation, which can be related directly to the strain gradient energy. The present work...... the experimentally observed micro-structural behavior, within a framework based on continuous field quantities, poses obvious challenges, since the evolution of dislocation structures is inherently a discrete and discontinuous process. This challenge, in particular, motivates the present study, and the aim...... offers an investigation of constitutive equations for the back stress based on both considerations of the gradient energy, but also includes results obtained from a purely phenomenological starting point. The influence of model parameters is brought out in a parametric study, and it is demonstrated how...
A continuum mechanics-based musculo-mechanical model for esophageal transport
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
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)
Nonlocal continuum-based modeling of mechanical characteristics of nanoscopic structures
Energy Technology Data Exchange (ETDEWEB)
Rafii-Tabar, Hashem, E-mail: rafii-tabar@nano.ipm.ac.ir [Department of Medical Physics and Biomedical Engineering, Faculty of Medicine, Shahid Beheshti University of Medical Sciences, Tehran (Iran, Islamic Republic of); Ghavanloo, Esmaeal, E-mail: ghavanloo@shirazu.ac.ir [School of Mechanical Engineering, Shiraz University, Shiraz 71963-16548 (Iran, Islamic Republic of); Fazelzadeh, S. Ahmad [School of Mechanical Engineering, Shiraz University, Shiraz 71963-16548 (Iran, Islamic Republic of)
2016-06-06
Insight into the mechanical characteristics of nanoscopic structures is of fundamental interest and indeed poses a great challenge to the research communities around the world. These structures are ultra fine in size and consequently performing standard experiments to measure their various properties is an extremely difficult and expensive endeavor. Hence, to predict the mechanical characteristics of the nanoscopic structures, different theoretical models, numerical modeling techniques, and computer-based simulation methods have been developed. Among several proposed approaches, the nonlocal continuum-based modeling is of particular significance because the results obtained from this modeling for different nanoscopic structures are in very good agreement with the data obtained from both experimental and atomistic-based studies. A review of the essentials of this model together with its applications is presented here. Our paper is a self contained presentation of the nonlocal elasticity theory and contains the analysis of the recent works employing this model within the field of nanoscopic structures. In this review, the concepts from both the classical (local) and the nonlocal elasticity theories are presented and their applications to static and dynamic behavior of nanoscopic structures with various morphologies are discussed. We first introduce the various nanoscopic structures, both carbon-based and non carbon-based types, and then after a brief review of the definitions and concepts from classical elasticity theory, and the basic assumptions underlying size-dependent continuum theories, the mathematical details of the nonlocal elasticity theory are presented. A comprehensive discussion on the nonlocal version of the beam, the plate and the shell theories that are employed in modeling of the mechanical properties and behavior of nanoscopic structures is then provided. Next, an overview of the current literature discussing the application of the nonlocal models
Nonlocal continuum-based modeling of mechanical characteristics of nanoscopic structures
International Nuclear Information System (INIS)
Rafii-Tabar, Hashem; Ghavanloo, Esmaeal; Fazelzadeh, S. Ahmad
2016-01-01
Insight into the mechanical characteristics of nanoscopic structures is of fundamental interest and indeed poses a great challenge to the research communities around the world. These structures are ultra fine in size and consequently performing standard experiments to measure their various properties is an extremely difficult and expensive endeavor. Hence, to predict the mechanical characteristics of the nanoscopic structures, different theoretical models, numerical modeling techniques, and computer-based simulation methods have been developed. Among several proposed approaches, the nonlocal continuum-based modeling is of particular significance because the results obtained from this modeling for different nanoscopic structures are in very good agreement with the data obtained from both experimental and atomistic-based studies. A review of the essentials of this model together with its applications is presented here. Our paper is a self contained presentation of the nonlocal elasticity theory and contains the analysis of the recent works employing this model within the field of nanoscopic structures. In this review, the concepts from both the classical (local) and the nonlocal elasticity theories are presented and their applications to static and dynamic behavior of nanoscopic structures with various morphologies are discussed. We first introduce the various nanoscopic structures, both carbon-based and non carbon-based types, and then after a brief review of the definitions and concepts from classical elasticity theory, and the basic assumptions underlying size-dependent continuum theories, the mathematical details of the nonlocal elasticity theory are presented. A comprehensive discussion on the nonlocal version of the beam, the plate and the shell theories that are employed in modeling of the mechanical properties and behavior of nanoscopic structures is then provided. Next, an overview of the current literature discussing the application of the nonlocal models
Adaptive unified continuum FEM modeling of a 3D FSI benchmark problem.
Jansson, Johan; Degirmenci, Niyazi Cem; Hoffman, Johan
2017-09-01
In this paper, we address a 3D fluid-structure interaction benchmark problem that represents important characteristics of biomedical modeling. We present a goal-oriented adaptive finite element methodology for incompressible fluid-structure interaction based on a streamline diffusion-type stabilization of the balance equations for mass and momentum for the entire continuum in the domain, which is implemented in the Unicorn/FEniCS software framework. A phase marker function and its corresponding transport equation are introduced to select the constitutive law, where the mesh tracks the discontinuous fluid-structure interface. This results in a unified simulation method for fluids and structures. We present detailed results for the benchmark problem compared with experiments, together with a mesh convergence study. Copyright © 2016 John Wiley & Sons, Ltd.
A continuum anisotropic damage model with unilateral effect
Directory of Open Access Journals (Sweden)
A. Alliche
2016-02-01
Full Text Available A continuum damage mechanics model has been derived within the framework of irreversible thermodynamics with internal variables in order to describe the behaviour of quasi-brittle materials under various loading paths. The anisotropic character induced by the progressive material degradation is explicitly taken into account, and the Helmholtz free energy is a scalar function of the basic invariants of the second order strain and damage tensors. The elastic response varies depending on the closed or open configuration of defects. The constitutive laws derived within the framework of irreversible thermodynamics theory display a dissymmetry as well as unilateral effects under tensile and compressive loading conditions. This approach verifies continuity and uniqueness of the potential energy. An application to uniaxial tension-compression loading shows a good adequacy with experimental results when available, and realistic evolutions for computed stresses and strains otherwise.
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 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...
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.
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
A continuum-based structural modeling approach for cellulose nanocrystals (CNCs)
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.
Shock structure in continuum models of gas dynamics: stability and bifurcation analysis
International Nuclear Information System (INIS)
Simić, Srboljub S
2009-01-01
The problem of shock structure in gas dynamics is analysed through a comparative study of two continuum models: the parabolic Navier–Stokes–Fourier model and the hyperbolic system of 13 moments equations modeling viscous, heat-conducting monatomic gases within the context of extended thermodynamics. When dissipative phenomena are neglected these models both reduce to classical Euler's equations of gas dynamics. The shock profile solution, assumed in the form of a planar travelling wave, reduces the problem to a system of ordinary differential equations, and equilibrium states appear to be stationary points of the system. It is shown that in both models an upstream equilibrium state suffers an exchange of stability when the shock speed crosses the critical value which coincides with the highest characteristic speed of the Euler's system. At the same time a downstream equilibrium state could be seen as a steady bifurcating solution, while the shock profile represents a heteroclinic orbit connecting the two stationary points. Using centre manifold reduction it is demonstrated that both models, although mathematically different, obey the same transcritical bifurcation pattern in the neighbourhood of the bifurcation point corresponding to the critical value of shock speed, the speed of sound
Vertically-Integrated Dual-Continuum Models for CO2 Injection in Fractured Aquifers
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
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.
Xiao, Li; Luo, Ray
2017-12-07
We explored a multi-scale algorithm for the Poisson-Boltzmann continuum solvent model for more robust simulations of biomolecules. In this method, the continuum solvent/solute interface is explicitly simulated with a numerical fluid dynamics procedure, which is tightly coupled to the solute molecular dynamics simulation. There are multiple benefits to adopt such a strategy as presented below. At this stage of the development, only nonelectrostatic interactions, i.e., van der Waals and hydrophobic interactions, are included in the algorithm to assess the quality of the solvent-solute interface generated by the new method. Nevertheless, numerical challenges exist in accurately interpolating the highly nonlinear van der Waals term when solving the finite-difference fluid dynamics equations. We were able to bypass the challenge rigorously by merging the van der Waals potential and pressure together when solving the fluid dynamics equations and by considering its contribution in the free-boundary condition analytically. The multi-scale simulation method was first validated by reproducing the solute-solvent interface of a single atom with analytical solution. Next, we performed the relaxation simulation of a restrained symmetrical monomer and observed a symmetrical solvent interface at equilibrium with detailed surface features resembling those found on the solvent excluded surface. Four typical small molecular complexes were then tested, both volume and force balancing analyses showing that these simple complexes can reach equilibrium within the simulation time window. Finally, we studied the quality of the multi-scale solute-solvent interfaces for the four tested dimer complexes and found that they agree well with the boundaries as sampled in the explicit water simulations.
Towards policy relevant environmental modeling: contextual validity and pragmatic models
Miles, Scott B.
2000-01-01
"What makes for a good model?" In various forms, this question is a question that, undoubtedly, many people, businesses, and institutions ponder with regards to their particular domain of modeling. One particular domain that is wrestling with this question is the multidisciplinary field of environmental modeling. Examples of environmental models range from models of contaminated ground water flow to the economic impact of natural disasters, such as earthquakes. One of the distinguishing claims of the field is the relevancy of environmental modeling to policy and environment-related decision-making in general. A pervasive view by both scientists and decision-makers is that a "good" model is one that is an accurate predictor. Thus, determining whether a model is "accurate" or "correct" is done by comparing model output to empirical observations. The expected outcome of this process, usually referred to as "validation" or "ground truthing," is a stamp on the model in question of "valid" or "not valid" that serves to indicate whether or not the model will be reliable before it is put into service in a decision-making context. In this paper, I begin by elaborating on the prevailing view of model validation and why this view must change. Drawing from concepts coming out of the studies of science and technology, I go on to propose a contextual view of validity that can overcome the problems associated with "ground truthing" models as an indicator of model goodness. The problem of how we talk about and determine model validity has much to do about how we perceive the utility of environmental models. In the remainder of the paper, I argue that we should adopt ideas of pragmatism in judging what makes for a good model and, in turn, developing good models. From such a perspective of model goodness, good environmental models should facilitate communication, convey—not bury or "eliminate"—uncertainties, and, thus, afford the active building of consensus decisions, instead
Are invertebrates relevant models in ageing research?
DEFF Research Database (Denmark)
Erdogan, Cihan Suleyman; Hansen, Benni Winding; Vang, Ole
2016-01-01
is an evolutionary conserved key protein kinase in the TOR pathway that regulates growth, proliferation and cell metabolism in response to nutrients, growth factors and stress. Comparing the ageing process in invertebrate model organisms with relatively short lifespan with mammals provides valuable information about...... the molecular mechanisms underlying the ageing process faster than mammal systems. Inhibition of the TOR pathway activity via either genetic manipulation or rapamycin increases lifespan profoundly in most invertebrate model organisms. This contribution will review the recent findings in invertebrates concerning...... the TOR pathway and effects of TOR inhibition by rapamycin on lifespan. Besides some contradictory results, the majority points out that rapamycin induces longevity. This suggests that administration of rapamycin in invertebrates is a promising tool for pursuing the scientific puzzle of lifespan...
Perspectives on continuum flow models for force-driven nano-channel liquid flows
Beskok, Ali; Ghorbanian, Jafar; Celebi, Alper
2017-11-01
A phenomenological continuum model is developed using systematic molecular dynamics (MD) simulations of force-driven liquid argon flows confined in gold nano-channels at a fixed thermodynamic state. Well known density layering near the walls leads to the definition of an effective channel height and a density deficit parameter. While the former defines the slip-plane, the latter parameter relates channel averaged density with the desired thermodynamic state value. Definitions of these new parameters require a single MD simulation performed for a specific liquid-solid pair at the desired thermodynamic state and used for calibration of model parameters. Combined with our observations of constant slip-length and kinematic viscosity, the model accurately predicts the velocity distribution and volumetric and mass flow rates for force-driven liquid flows in different height nano-channels. Model is verified for liquid argon flow at distinct thermodynamic states and using various argon-gold interaction strengths. Further verification is performed for water flow in silica and gold nano-channels, exhibiting slip lengths of 1.2 nm and 15.5 nm, respectively. Excellent agreements between the model and the MD simulations are reported for channel heights as small as 3 nm for various liquid-solid pairs.
A Model of Icebergs and Sea Ice in a Joint Continuum Framework
VaÅková, Irena; Holland, David M.
2017-11-01
The ice mélange, a mixture of sea ice and icebergs, often present in front of outlet glaciers in Greenland or ice shelves in Antarctica, can have a profound effect on the dynamics of the ice-ocean system. The current inability to numerically model the ice mélange motivates a new modeling approach proposed here. A continuum sea-ice model is taken as a starting point and icebergs are represented as thick and compact pieces of sea ice held together by large tensile and shear strength, selectively introduced into the sea-ice rheology. In order to modify the rheology correctly, an iceberg tracking procedure is implemented within a semi-Lagrangian time-stepping scheme, designed to exactly preserve iceberg shape through time. With the proposed treatment, sea ice and icebergs are considered a single fluid with spatially varying rheological properties. Mutual interactions are thus automatically included without the need for further parametrization. An important advantage of the presented framework for an ice mélange model is its potential to be easily included within sea-ice components of existing climate models.
Directory of Open Access Journals (Sweden)
Sutikno Sutikno
2010-08-01
Full Text Available One of the climate models used to predict the climatic conditions is Global Circulation Models (GCM. GCM is a computer-based model that consists of different equations. It uses numerical and deterministic equation which follows the physics rules. GCM is a main tool to predict climate and weather, also it uses as primary information source to review the climate change effect. Statistical Downscaling (SD technique is used to bridge the large-scale GCM with a small scale (the study area. GCM data is spatial and temporal data most likely to occur where the spatial correlation between different data on the grid in a single domain. Multicollinearity problems require the need for pre-processing of variable data X. Continuum Regression (CR and pre-processing with Principal Component Analysis (PCA methods is an alternative to SD modelling. CR is one method which was developed by Stone and Brooks (1990. This method is a generalization from Ordinary Least Square (OLS, Principal Component Regression (PCR and Partial Least Square method (PLS methods, used to overcome multicollinearity problems. Data processing for the station in Ambon, Pontianak, Losarang, Indramayu and Yuntinyuat show that the RMSEP values and R2 predict in the domain 8x8 and 12x12 by uses CR method produces results better than by PCR and PLS.
Safaei, Farinaz; Castorena, Cassie; Kim, Y. Richard
2016-08-01
Fatigue cracking is a major form of distress in asphalt pavements. Asphalt binder is the weakest asphalt concrete constituent and, thus, plays a critical role in determining the fatigue resistance of pavements. Therefore, the ability to characterize and model the inherent fatigue performance of an asphalt binder is a necessary first step to design mixtures and pavements that are not susceptible to premature fatigue failure. The simplified viscoelastic continuum damage (S-VECD) model has been used successfully by researchers to predict the damage evolution in asphalt mixtures for various traffic and climatic conditions using limited uniaxial test data. In this study, the S-VECD model, developed for asphalt mixtures, is adapted for asphalt binders tested under cyclic torsion in a dynamic shear rheometer. Derivation of the model framework is presented. The model is verified by producing damage characteristic curves that are both temperature- and loading history-independent based on time sweep tests, given that the effects of plasticity and adhesion loss on the material behavior are minimal. The applicability of the S-VECD model to the accelerated loading that is inherent of the linear amplitude sweep test is demonstrated, which reveals reasonable performance predictions, but with some loss in accuracy compared to time sweep tests due to the confounding effects of nonlinearity imposed by the high strain amplitudes included in the test. The asphalt binder S-VECD model is validated through comparisons to asphalt mixture S-VECD model results derived from cyclic direct tension tests and Accelerated Loading Facility performance tests. The results demonstrate good agreement between the asphalt binder and mixture test results and pavement performance, indicating that the developed model framework is able to capture the asphalt binder's contribution to mixture fatigue and pavement fatigue cracking performance.
International Nuclear Information System (INIS)
Kowalski, Adam F.; Mathioudakis, Mihalis; Hawley, Suzanne L.; Hilton, Eric J.; Wisniewski, John P.; Dhillon, Vik S.; Marsh, Tom R.; Brown, Benjamin P.
2016-01-01
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 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
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.
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.)
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
Continuum modeling of twinning, amorphization, and fracture: theory and numerical simulations
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.
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.
A continuum model for the anisotropic creep of single crystal nickel-based superalloys
International Nuclear Information System (INIS)
Prasad, Sharat C.; Rajagopal, K.R.; Rao, I.J.
2006-01-01
In this paper, we extend the constitutive theory developed by Prasad et al. [Prasad SC, Rao IJ, Rajagopal KR. A continuum model for the creep of single crystal nickel-base superalloys. Acta Mater 2005;53(3):669-79], to describe the creep anisotropy associated with crystallographic orientation in single crystal nickel-based superalloys. The constitutive theory is cast within a general thermodynamic framework that has been developed to describe the response of materials capable of existing in multiple stress free configurations ('natural configurations'). Central to the theory is the prescription of the forms for the stored energy and rate of dissipation functions. The stored energy reflects the fact that the elastic response exhibits cubic symmetry. The model takes into account the fact that the symmetry of single crystals does not change with inelastic deformation. The rate of dissipation function is also chosen to be anisotropic, in that it reflects invariance to transformations that belong to the cubic symmetry group. The model is used to simulate uniaxial creep of single crystal nickel-based superalloy CMSX-4 for loading along the , and orientations. The predictions of the theory agree well with the experimental data
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.
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
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
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
On relevant boundary perturbations of unitary minimal models
International Nuclear Information System (INIS)
Recknagel, A.; Roggenkamp, D.; Schomerus, V.
2000-01-01
We consider unitary Virasoro minimal models on the disk with Cardy boundary conditions and discuss deformations by certain relevant boundary operators, analogous to tachyon condensation in string theory. Concentrating on the least relevant boundary field, we can perform a perturbative analysis of renormalization group fixed points. We find that the systems always flow towards stable fixed points which admit no further (non-trivial) relevant perturbations. The new conformal boundary conditions are in general given by superpositions of 'pure' Cardy boundary conditions
A constitutive model of soft tissue: From nanoscale collagen to tissue continuum
Tang, Huang; Buehler, Markus J.; Moran, Brian
2009-01-01
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
Components for Atomistic-to-Continuum Multiscale Modeling of Flow in Micro- and Nanofluidic Systems
Directory of Open Access Journals (Sweden)
Helgi Adalsteinsson
2008-01-01
Full Text Available Micro- and nanofluidics pose a series of significant challenges for science-based modeling. Key among those are the wide separation of length- and timescales between interface phenomena and bulk flow and the spatially heterogeneous solution properties near solid-liquid interfaces. It is not uncommon for characteristic scales in these systems to span nine orders of magnitude from the atomic motions in particle dynamics up to evolution of mass transport at the macroscale level, making explicit particle models intractable for all but the simplest systems. Recently, atomistic-to-continuum (A2C multiscale simulations have gained a lot of interest as an approach to rigorously handle particle-level dynamics while also tracking evolution of large-scale macroscale behavior. While these methods are clearly not applicable to all classes of simulations, they are finding traction in systems in which tight-binding, and physically important, dynamics at system interfaces have complex effects on the slower-evolving large-scale evolution of the surrounding medium. These conditions allow decomposition of the simulation into discrete domains, either spatially or temporally. In this paper, we describe how features of domain decomposed simulation systems can be harnessed to yield flexible and efficient software for multiscale simulations of electric field-driven micro- and nanofluidics.
Reactivity continuum modeling of leaf, root, and wood decomposition across biomes
Koehler, Birgit; Tranvik, Lars J.
2015-07-01
Large carbon dioxide amounts are released to the atmosphere during organic matter decomposition. Yet the large-scale and long-term regulation of this critical process in global carbon cycling by litter chemistry and climate remains poorly understood. We used reactivity continuum (RC) modeling to analyze the decadal data set of the "Long-term Intersite Decomposition Experiment," in which fine litter and wood decomposition was studied in eight biome types (224 time series). In 32 and 46% of all sites the litter content of the acid-unhydrolyzable residue (AUR, formerly referred to as lignin) and the AUR/nitrogen ratio, respectively, retarded initial decomposition rates. This initial rate-retarding effect generally disappeared within the first year of decomposition, and rate-stimulating effects of nutrients and a rate-retarding effect of the carbon/nitrogen ratio became more prevalent. For needles and leaves/grasses, the influence of climate on decomposition decreased over time. For fine roots, the climatic influence was initially smaller but increased toward later-stage decomposition. The climate decomposition index was the strongest climatic predictor of decomposition. The similar variability in initial decomposition rates across litter categories as across biome types suggested that future changes in decomposition may be dominated by warming-induced changes in plant community composition. In general, the RC model parameters successfully predicted independent decomposition data for the different litter-biome combinations (196 time series). We argue that parameterization of large-scale decomposition models with RC model parameters, as opposed to the currently common discrete multiexponential models, could significantly improve their mechanistic foundation and predictive accuracy across climate zones and litter categories.
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
Edmiston, John Kearney
This work explores the field of continuum plasticity from two fronts. On the theory side, we establish a complete specification of a phenomenological theory of plasticity for single crystals. The model serves as an alternative to the popular crystal plasticity formulation. Such a model has been previously proposed in the literature; the new contribution made here is the constitutive framework and resulting simulations. We calibrate the model to available data and use a simple numerical method to explore resulting predictions in plane strain boundary value problems. Results show promise for further investigation of the plasticity model. Conveniently, this theory comes with a corresponding experimental tool in X-ray diffraction. Recent advances in hardware technology at synchrotron sources have led to an increased use of the technique for studies of plasticity in the bulk of materials. The method has been successful in qualitative observations of material behavior, but its use in quantitative studies seeking to extract material properties is open for investigation. Therefore in the second component of the thesis several contributions are made to synchrotron X-ray diffraction experiments, in terms of method development as well as the quantitative reporting of constitutive parameters. In the area of method development, analytical tools are developed to determine the available precision of this type of experiment—a crucial aspect to determine if the method is to be used for quantitative studies. We also extract kinematic information relating to intragranular inhomogeneity which is not accessible with traditional methods of data analysis. In the area of constitutive parameter identification, we use the method to extract parameters corresponding to the proposed formulation of plasticity for a titanium alloy (HCP) which is continuously sampled by X-ray diffraction during uniaxial extension. These results and the lessons learned from the efforts constitute early reporting
High-Fidelity Dynamic Modeling of Spacecraft in the Continuum--Rarefied Transition Regime
Turansky, Craig P.
The state of the art of spacecraft rarefied aerodynamics seldom accounts for detailed rigid-body dynamics. In part because of computational constraints, simpler models based upon the ballistic and drag coefficients are employed. Of particular interest is the continuum-rarefied transition regime of Earth's thermosphere where gas dynamic simulation is difficult yet wherein many spacecraft operate. The feasibility of increasing the fidelity of modeling spacecraft dynamics is explored by coupling rarefied aerodynamics with rigid-body dynamics modeling similar to that traditionally used for aircraft in atmospheric flight. Presented is a framework of analysis and guiding principles which capitalize on the availability of increasing computational methods and resources. Aerodynamic force inputs for modeling spacecraft in two dimensions in a rarefied flow are provided by analytical equations in the free-molecular regime, and the direct simulation Monte Carlo method in the transition regime. The application of the direct simulation Monte Carlo method to this class of problems is examined in detail with a new code specifically designed for engineering-level rarefied aerodynamic analysis. Time-accurate simulations of two distinct geometries in low thermospheric flight and atmospheric entry are performed, demonstrating non-linear dynamics that cannot be predicted using simpler approaches. The results of this straightforward approach to the aero-orbital coupled-field problem highlight the possibilities for future improvements in drag prediction, control system design, and atmospheric science. Furthermore, a number of challenges for future work are identified in the hope of stimulating the development of a new subfield of spacecraft dynamics.
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.
Solvation of actinide salts in water using a polarizable continuum model.
Kumar, Narendra; Seminario, Jorge M
2015-01-29
In order to determine how actinide atoms are dressed when solvated in water, density functional theory calculations have been carried out to study the equilibrium structure of uranium plutonium and thorium salts (UO2(2+), PuO2(2+), Pu(4+), and Th(4+)) both in vacuum as well as in solution represented by a conductor-like polarizable continuum model. This information is of paramount importance for the development of sensitive nanosensors. Both UO2(2+) and PuO2(2+) ions show coordination number of 4-5 with counterions replacing one or two water molecules from the first coordination shell. On the other hand, Pu(4+), has a coordination number of 8 both when completely solvated and also in the presence of chloride and nitrate ions with counterions replacing water molecules in the first shell. Nitrates were found to bind more strongly to Pu(IV) than chloride anions. In the case of the Th(IV) ion, the coordination number was found to be 9 or 10 in the presence of chlorides. Moreover, the Pu(IV) ion shows greater affinity for chlorides than the Th(IV) ion. Adding dispersion and ZPE corrections to the binding energy does not alter the trends in relative stability of several conformers because of error cancelations. All structures and energetics of these complexes are reported.
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.
How to approach continuum physics in the lattice Weinberg-Salam model
International Nuclear Information System (INIS)
Zubkov, M. A.
2010-01-01
We investigate the lattice Weinberg-Salam model without fermions numerically for the realistic choice of coupling constants correspondent to the value of the Weinberg angle θ W ∼30 deg., and bare fine structure constant around α∼(1/150). We consider the values of the scalar self-coupling corresponding to Higgs mass M H ∼100, 150, 270 GeV. It has been found that nonperturbative effects become important while approaching continuum physics within the lattice model. When the ultraviolet cutoff Λ=(π/a) (where a is the lattice spacing) is increased and achieves the value around 1 TeV, one encounters the fluctuational region (on the phase diagram of the lattice model), where the fluctuations of the scalar field become strong. The classical Nambu monopole can be considered as an embryo of the unphysical symmetric phase within the physical phase. In the fluctuational region quantum Nambu monopoles are dense, and therefore, the use of the perturbation expansion around the trivial vacuum in this region is limited. Further increase of the cutoff is accompanied by a transition to the region of the phase diagram, where the scalar field is not condensed (this happens at the value of Λ around 1.4 TeV for the considered lattice sizes). Within this region further increase of the cutoff is possible, although we do not observe this in detail due to the strong fluctuations of the gauge boson correlator. Both above mentioned regions look unphysical. Therefore we come to the conclusion that the maximal value of the cutoff admitted within lattice electroweak theory cannot exceed the value of the order of 1 TeV.
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
A Compositional Relevance Model for Adaptive Information Retrieval
Mathe, Nathalie; Chen, James; Lu, Henry, Jr. (Technical Monitor)
1994-01-01
There is a growing need for rapid and effective access to information in large electronic documentation systems. Access can be facilitated if information relevant in the current problem solving context can be automatically supplied to the user. This includes information relevant to particular user profiles, tasks being performed, and problems being solved. However most of this knowledge on contextual relevance is not found within the contents of documents, and current hypermedia tools do not provide any easy mechanism to let users add this knowledge to their documents. We propose a compositional relevance network to automatically acquire the context in which previous information was found relevant. The model records information on the relevance of references based on user feedback for specific queries and contexts. It also generalizes such information to derive relevant references for similar queries and contexts. This model lets users filter information by context of relevance, build personalized views of documents over time, and share their views with other users. It also applies to any type of multimedia information. Compared to other approaches, it is less costly and doesn't require any a priori statistical computation, nor an extended training period. It is currently being implemented into the Computer Integrated Documentation system which enables integration of various technical documents in a hypertext framework.
DEFF Research Database (Denmark)
El-Naaman, Salim Abdallah
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......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...... strain. It is clear that many challenges are associated with modeling dislocation structures, within a framework based on continuum ﬁelds, however, since the strain gradient effects are attributed to the dislocation micro-structure, it is a natural step, in the further development of gradient theories...
DEFF Research Database (Denmark)
Addassi, Mouadh; Johannesson, Björn; Wadsö, Lars
2018-01-01
Here we present an inverse analyses approach to determining the two-phase moisture transport properties relevant to concrete durability modeling. The purposed moisture transport model was based on a continuum approach with two truly separate equations for the liquid and gas phase being connected...... test, and, (iv) capillary suction test. Mass change over time, as obtained from the drying test, the two different cup test intervals and the capillary suction test, was used to obtain the effective diffusion parameters using the proposed inverse analyses approach. The moisture properties obtained...
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.
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....
Towards continuum models of lateral rupture propagation in a segmented megathrust
Pranger, C. C.; van Dinther, Y.; Le Pourhiet, L.; May, D.; Gerya, T.
2015-12-01
At subduction megathrusts, propagation of large ruptures may be confined between the up-dip and down-dip limits of the seismogenic zone. This opens a primary role for lateral rupture dimensions to control the magnitude and severity of megathrust earthquakes. The goal of this study is to improve our understanding of the ways in which the inherent variability of the subduction interface may influence the degree of interseismic locking, and the propensity of a rupture to propagate over regions of variable slip potential. We focus in particular on the roughness of the incoming seafloor, which we expect to be of primary importance. The global absence of a historic record sufficiently long to base risk assessment on, makes us rely on numerical modelling as a way to extend our understanding of the spatio-temporal occurrence of earthquakes. However, the complex interaction of the subduction stress environment, the variability of the subduction interface, and the structure and deformation of the crustal wedge has made it very difficult to construct comprehensive numerical models of megathrust segmentation. We intend to develop and exploit the power of a plastic 3D continuum representation of the subduction megathrust, as well as off-megathrust faulting to model the long-term tectonic build-up of stresses, and their sudden seismic release. The sheer size of the 3D problem, and the time scales covering those of tectonics as well as seismology, force us to explore efficient and accurate physical and numerical techniques. So far, we have focused our efforts on developing a staggered grid finite difference code that makes use of the PETSc library for massively parallel computing. The code incorporates a newly developed automatic discretization algorithm, which enables it to handle a wide variety of equations with relative ease. What remains now is combining the physics that act on the different spatial and temporal scales. To this end we explore new constitutive models that
Towards three-dimensional continuum models of self-consistent along-strike megathrust segmentation
Pranger, Casper; van Dinther, Ylona; May, Dave; Le Pourhiet, Laetitia; Gerya, Taras
2016-04-01
At subduction megathrusts, propagation of large ruptures may be confined between the up-dip and down-dip limits of the seismogenic zone. This opens a primary role for lateral rupture dimensions to control the magnitude and severity of megathrust earthquakes. The goal of this study is to improve our understanding of the ways in which the inherent variability of the subduction interface may influence the degree of interseismic locking, and the propensity of a rupture to propagate over regions of variable slip potential. The global absence of a historic record sufficiently long to base risk assessment on, makes us rely on numerical modelling as a way to extend our understanding of the spatio-temporal occurrence of earthquakes. However, the complex interaction of the subduction stress environment, the variability of the subduction interface, and the structure and deformation of the crustal wedge has made it very difficult to construct comprehensive numerical models of megathrust segmentation. We develop and exploit the power of a plastic 3D continuum representation of the subduction megathrust, as well as off-megathrust faulting to model the long-term tectonic build-up of stresses, and their sudden seismic release. The sheer size of the 3D problem, and the time scales covering those of tectonics as well as seismology, force us to explore efficient and accurate physical and numerical techniques. We thus focused our efforts on developing a staggered grid finite difference code that makes use of the PETSc library for massively parallel computing. The code incorporates a newly developed automatic discretization algorithm, which enables it to handle a wide variety of equations with relative ease. The different physical and numerical ingredients - like attenuating visco-elasto-plastic materials, frictional weakening and inertially driven seismic release, and adaptive time marching schemes - most of which have been implemented and benchmarked individually - are now combined
Directory of Open Access Journals (Sweden)
Casper Steinmann
Full Text Available 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.
Stress and adaptation : Toward ecologically relevant animal models
Koolhaas, Jaap M.; Boer, Sietse F. de; Buwalda, Bauke
Animal models have contributed considerably to the current understanding of mechanisms underlying the role of stress in health and disease. Despite the progress made already, much more can be made by more carefully exploiting animals' and humans' shared biology, using ecologically relevant models.
SUCCESS AND PITFALLS OF THE DIELECTRIC CONTINUUM MODEL IN QUANTUM-CHEMICAL CALCULATIONS
DEVRIES, AH; VANDUIJNEN, PT; JUFFER, AH
1993-01-01
Recently we presented an extension of the direct reaction field (DRF) method, in which a quantum system and a set of point charges and interacting polarizabilities are embedded in a continuum that is characterized by a dielectric constant epsilon and a finite ionic strength. The reaction field of
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
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
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.
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)
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
Voulgarelis, Dimitrios; Velayudhan, Ajoy; Smith, Frank
2017-01-01
Agent-based models provide a formidable tool for exploring complex and emergent behaviour of biological systems as well as accurate results but with the drawback of needing a lot of computational power and time for subsequent analysis. On the other hand, equation-based models can more easily be used for complex analysis in a much shorter timescale. This paper formulates an ordinary differential equations and stochastic differential equations model to capture the behaviour of an existing agent-based model of tumour cell reprogramming and applies it to optimization of possible treatment as well as dosage sensitivity analysis. For certain values of the parameter space a close match between the equation-based and agent-based models is achieved. The need for division of labour between the two approaches is explored. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.
Pahar, Gourabananda; Dhar, Anirban
2017-04-01
A coupled solenoidal Incompressible Smoothed Particle Hydrodynamics (ISPH) model is presented for simulation of sediment displacement in erodible bed. The coupled framework consists of two separate incompressible modules: (a) granular module, (b) fluid module. The granular module considers a friction based rheology model to calculate deviatoric stress components from pressure. The module is validated for Bagnold flow profile and two standardized test cases of sediment avalanching. The fluid module resolves fluid flow inside and outside porous domain. An interaction force pair containing fluid pressure, viscous term and drag force acts as a bridge between two different flow modules. The coupled model is validated against three dambreak flow cases with different initial conditions of movable bed. The simulated results are in good agreement with experimental data. A demonstrative case considering effect of granular column failure under full/partial submergence highlights the capability of the coupled model for application in generalized scenario.
Whitmore, Stephen A.; Petersen, Brian J.; Scott, David D.
1996-01-01
This paper develops a dynamic model for pressure sensors in continuum and rarefied flows with longitudinal temperature gradients. The model was developed from the unsteady Navier-Stokes momentum, energy, and continuity equations and was linearized using small perturbations. The energy equation was decoupled from momentum and continuity assuming a polytropic flow process. Rarefied flow conditions were accounted for using a slip flow boundary condition at the tubing wall. The equations were radially averaged and solved assuming gas properties remain constant along a small tubing element. This fundamental solution was used as a building block for arbitrary geometries where fluid properties may also vary longitudinally in the tube. The problem was solved recursively starting at the transducer and working upstream in the tube. Dynamic frequency response tests were performed for continuum flow conditions in the presence of temperature gradients. These tests validated the recursive formulation of the model. Model steady-state behavior was analyzed using the final value theorem. Tests were performed for rarefied flow conditions and compared to the model steady-state response to evaluate the regime of applicability. Model comparisons were excellent for Knudsen numbers up to 0.6. Beyond this point, molecular affects caused model analyses to become inaccurate.
International Nuclear Information System (INIS)
Robinson, R.D.
1985-01-01
This paper reviews the metre-wave continuum radiation which is related to similar solar emissions observed in the decimetre and centimetre spectral regions. This type of emission, known as Flare Contiuum, is related to the radio bursts of types II and IV. After summarising the history of the phenomenon and reviewing the observational work, the author discusses the various possible radiation mechanisms and their relation to the solar corona, the interplanetary medium and related regions. The theoretical topics covered include the role of high-energy particles, the trapping of such particles, gyro-synchrotron radiation, polarization and plasma interactions. (U.K.)
Continuum equivalent model for the fractured EDZ around underground galleries in clay-stone
International Nuclear Information System (INIS)
Pouya, A.; Bourgeois, E.; Larbi, B.; Poutrel, A.
2010-01-01
Document available in extended abstract form only. The Excavation Damaged Zone (EDZ) around the underground galleries excavated in clay-stone for the CMHM project, includes several zones showing different types of cracking and/or fracturing. In the vicinity of the wall, a fractured zone is observed that spreads out on a distance of about 1 m from the wall; at a larger distance from the wall one observes another zone with micro-cracks. The first zone, called 'fractured EDZ', includes different families of fractures with different geometries and origins. The main one consists of a family of shear fractures called 'chevron', that have approximately the shape of conical surfaces slightly flattened with respect to the horizontal plane. The 'chevrons' observed in the galleries at 490 m depth in LMSMH are regularly spaced of about 50 cm to 1 m along the gallery's axis, make an angle of about 45 deg. with this axis and extend to about 2 or 3 m beyond the wall depending of the size and orientation of the gallery. The fractures have a significant effect on the hydro-mechanical properties of the EDZ. The present work is focused on the effect of the 'chevron' fractures on the mechanical behaviour of the EDZ. Due to the large number of fractures, introducing them individually to the modelling leads to heavy and not easy to handle numerical models and to long calculations. One is led to find some Continuum Equivalent Material (CEM) for the EDZ including the fractures' effect. The EDZ is not very large compared to the fractures, so that it may not be fully justified to apply a homogenization approach; however, this is the approach we have used to define the behaviour of CEM. The geometry of the fractures is first simplified and assumed to correspond to conical surfaces with axial symmetry around the gallery's axis. The local behaviour of the CEM is deduced from the model of an infinite medium containing a family of planar
Relevant criteria for testing the quality of turbulence models
DEFF Research Database (Denmark)
Frandsen, Sten Tronæs; Ejsing Jørgensen, Hans; Sørensen, J.D.
2007-01-01
Seeking relevant criteria for testing the quality of turbulence models, the scale of turbulence and the gust factor have been estimated from data and compared with predictions from first-order models of these two quantities. It is found that the mean of the measured length scales is approx. 10......% smaller than the IEC model, for wind turbine hub height levels. The mean is only marginally dependent on trends in time series. It is also found that the coefficient of variation of the measured length scales is about 50%. 3sec and 10sec pre-averaging of wind speed data are relevant for MW-size wind...... turbines when seeking wind characteristics that correspond to one blade and the entire rotor, respectively. For heights exceeding 50-60m the gust factor increases with wind speed. For heights larger the 60-80m, present assumptions on the value of the gust factor are significantly conservative, both for 3...
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.
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.
Energy Technology Data Exchange (ETDEWEB)
Ghavanloo, Esmaeal, E-mail: ghavanloo@shirazu.ac.ir [School of Mechanical Engineering, Shiraz University, Shiraz 71963-16548 (Iran, Islamic Republic of); Fazelzadeh, S. Ahmad [School of Mechanical Engineering, Shiraz University, Shiraz 71963-16548 (Iran, Islamic Republic of); Rafii-Tabar, Hashem [Department of Medical Physics and Biomedical Engineering, Research Center for Medical Nanotechnology and Tissue Engineering, Shahid Beheshti University of Medical Sciences, Evin, Tehran (Iran, Islamic Republic of); Computational Physical Sciences Research Laboratory, School of Nano-Science, Institute for Research in Fundamental Sciences (IPM), Tehran (Iran, Islamic Republic of)
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.
Variational principles of continuum mechanics II applications
Berdichevsky, Victor L
2009-01-01
This concise and understandable book about variational principles of continuum mechanics presents the classical models. The book is accessible to applied mathematicians, physicists and engineers who have an interest in continuum mechanics.
Neurologic continuum of care: Evidence-based model of a post-hospital system of care.
Lewis, Frank D; Horn, Gordon J
2015-01-01
There is increasing need for a well-organized continuum of post-hospital rehabilitative care to reduce long term disability resulting from acquired brain injury. This study examined the effectiveness of four levels of post-hospital care (active neurorehabilitation, neurobehavioral intensive, day treatment, and supported living) and the functional variables most important to their success. Participants were 1276 adults with acquired brain injury who were being treated in one of the four program levels. A Repeated Measures MANOVA was used to evaluate change from admission to discharge on the Mayo Portland Adaptability Inventory-4 T-scores. Regression analyses were used to identify predictors of outcome. Statistical improvement on the MPAI-4 was observed at each program level. Self-care and Initiation were the strongest predictors of outcome. The results support the effectiveness of a continuum of care for acquired brain injury individuals beyond hospitalization and acute in-hospital rehabilitation. It is particularly noteworthy that reduction in disability was achieved for all levels of programming even with participants whose onset to admission exceeded 7 years post-injury.
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...
International Nuclear Information System (INIS)
You, Zhi-Qiang; Herbert, John M.; Mewes, Jan-Michael; Dreuw, Andreas
2015-01-01
The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into “fast” versus “slow” polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents
Energy Technology Data Exchange (ETDEWEB)
You, Zhi-Qiang; Herbert, John M., E-mail: herbert@chemistry.ohio-state.edu [Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210 (United States); Mewes, Jan-Michael; Dreuw, Andreas [Interdisciplinary Center for Scientific Computing, Ruprechts-Karls University, Im Neuenheimer Feld 368, 69120 Heidelberg (Germany)
2015-11-28
The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into “fast” versus “slow” polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents.
Models of the Economic Growth and their Relevance
Directory of Open Access Journals (Sweden)
Nicolae MOROIANU
2012-06-01
Full Text Available Until few years ago, the economic growth was something perfect normal, part of an era marked by the transformation speed. Normality itself has been transformed and we currently are influenced by other rules, unknown yet, which should answer the question: “How do we return to the economic growth?” The economic growth and the models aiming to solve this problem concern the economic history even since its beginnings. In this paper we would like to find out what is the relevance that the well-known macroeconomic models still have and which might be their applicability level in a framework created by a black swan event type.
Macroscale hydrologic modeling of ecologically relevant flow metrics
Wenger, Seth J.; Luce, Charles H.; Hamlet, Alan F.; Isaak, Daniel J.; Neville, Helen M.
2010-09-01
Stream hydrology strongly affects the structure of aquatic communities. Changes to air temperature and precipitation driven by increased greenhouse gas concentrations are shifting timing and volume of streamflows potentially affecting these communities. The variable infiltration capacity (VIC) macroscale hydrologic model has been employed at regional scales to describe and forecast hydrologic changes but has been calibrated and applied mainly to large rivers. An important question is how well VIC runoff simulations serve to answer questions about hydrologic changes in smaller streams, which are important habitat for many fish species. To answer this question, we aggregated gridded VIC outputs within the drainage basins of 55 streamflow gages in the Pacific Northwest United States and compared modeled hydrographs and summary metrics to observations. For most streams, several ecologically relevant aspects of the hydrologic regime were accurately modeled, including center of flow timing, mean annual and summer flows and frequency of winter floods. Frequencies of high and low flows in the summer were not well predicted, however. Predictions were worse for sites with strong groundwater influence, and some sites showed errors that may result from limitations in the forcing climate data. Higher resolution (1/16th degree) modeling provided small improvements over lower resolution (1/8th degree). Despite some limitations, the VIC model appears capable of representing several ecologically relevant hydrologic characteristics in streams, making it a useful tool for understanding the effects of hydrology in delimiting species distributions and predicting the potential effects of climate shifts on aquatic organisms.
An Image-based Micro-continuum Pore-scale Model for Gas Transport in Organic-rich Shale
Guo, B.; Tchelepi, H.
2017-12-01
Gas production from unconventional source rocks, such as ultra-tight shales, has increased significantly over the past decade. However, due to the extremely small pores ( 1-100 nm) and the strong material heterogeneity, gas flow in shale is still not well understood and poses challenges for predictive field-scale simulations. In recent years, digital rock analysis has been applied to understand shale gas transport at the pore-scale. An issue with rock images (e.g. FIB-SEM, nano-/micro-CT images) is the so-called "cutoff length", i.e., pores and heterogeneities below the resolution cannot be resolved, which leads to two length scales (resolved features and unresolved sub-resolution features) that are challenging for flow simulations. Here we develop a micro-continuum model, modified from the classic Darcy-Brinkman-Stokes framework, that can naturally couple the resolved pores and the unresolved nano-porous regions. In the resolved pores, gas flow is modeled with Stokes equation. In the unresolved regions where the pore sizes are below the image resolution, we develop an apparent permeability model considering non-Darcy flow at the nanoscale including slip flow, Knudsen diffusion, adsorption/desorption, surface diffusion, and real gas effect. The end result is a micro-continuum pore-scale model that can simulate gas transport in 3D reconstructed shale images. The model has been implemented in the open-source simulation platform OpenFOAM. In this paper, we present case studies to demonstrate the applicability of the model, where we use 3D segmented FIB-SEM and nano-CT shale images that include four material constituents: organic matter, clay, granular mineral, and pore. In addition to the pore structure and the distribution of the material constituents, we populate the model with experimental measurements (e.g. size distribution of the sub-resolution pores from nitrogen adsorption) and parameters from the literature and identify the relative importance of different
Bioprinting towards Physiologically Relevant Tissue Models for Pharmaceutics.
Peng, Weijie; Unutmaz, Derya; Ozbolat, Ibrahim T
2016-09-01
Improving the ability to predict the efficacy and toxicity of drug candidates earlier in the drug discovery process will speed up the introduction of new drugs into clinics. 3D in vitro systems have significantly advanced the drug screening process as 3D tissue models can closely mimic native tissues and, in some cases, the physiological response to drugs. Among various in vitro systems, bioprinting is a highly promising technology possessing several advantages such as tailored microarchitecture, high-throughput capability, coculture ability, and low risk of cross-contamination. In this opinion article, we discuss the currently available tissue models in pharmaceutics along with their limitations and highlight the possibilities of bioprinting physiologically relevant tissue models, which hold great potential in drug testing, high-throughput screening, and disease modeling. Copyright © 2016 Elsevier Ltd. All rights reserved.
A new micromechanical approach of micropolar continuum modeling for 2-D periodic cellular material
Institute of Scientific and Technical Information of China (English)
Bin Niu; Jun Yan
2016-01-01
In this paper, we present a new united approach to formulate the equivalent micropolar constitutive relation of two-dimensional (2-D) periodic cellular material to capture its non-local properties and to explain the size effects in its structural analysis. The new united approach takes both the displacement compatibility and the equilibrium of forces and moments into consideration, where Taylor series expansion of the displacement and rotation fields and the extended aver-aging procedure with an explicit enforcement of equilibrium are adopted in the micromechanical analysis of a unit cell. In numerical examples, the effective micropolar constants obtained in this paper and others derived in the literature are used for the equivalent micropolar continuum simulation of cellular solids. The solutions from the equivalent analysis are compared with the discrete simulation solutions of the cellu-lar solids. It is found that the micropolar constants developed in this paper give satisfying results of equivalent analysis for the periodic cellular material.
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.
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
Equation of state experiments and theory relevant to planetary modelling
International Nuclear Information System (INIS)
Ross, M.; Graboske, H.C. Jr.; Nellis, W.J.
1981-01-01
In recent years there have been a number of static and shockwave experiments on the properties of planetary materials. The highest pressure measurements, and the ones most relevant to planetary modelling, have been obtained by shock compression. Of particular interest to the Jovian group are results for H 2 , H 2 O, CH 4 and NH 3 . Although the properties of metallic hydrogen have not been measured, they have been the subject of extensive calculations. In addition recent shock wave experiments on iron report to have detected melting under Earth core conditions. From this data theoretical models have been developed for computing the equations of state of materials used in planetary studies. A compelling feature that has followed from the use of improved material properties is a simplification in the planetary models. (author)
A multiple relevance feedback strategy with positive and negative models.
Directory of Open Access Journals (Sweden)
Yunlong Ma
Full Text Available A commonly used strategy to improve search accuracy is through feedback techniques. Most existing work on feedback relies on positive information, and has been extensively studied in information retrieval. However, when a query topic is difficult and the results from the first-pass retrieval are very poor, it is impossible to extract enough useful terms from a few positive documents. Therefore, the positive feedback strategy is incapable to improve retrieval in this situation. Contrarily, there is a relatively large number of negative documents in the top of the result list, and it has been confirmed that negative feedback strategy is an important and useful way for adapting this scenario by several recent studies. In this paper, we consider a scenario when the search results are so poor that there are at most three relevant documents in the top twenty documents. Then, we conduct a novel study of multiple strategies for relevance feedback using both positive and negative examples from the first-pass retrieval to improve retrieval accuracy for such difficult queries. Experimental results on these TREC collections show that the proposed language model based multiple model feedback method which is generally more effective than both the baseline method and the methods using only positive or negative model.
Energy Technology Data Exchange (ETDEWEB)
Macdonald, J Ross, E-mail: macd@email.unc.ed [Department of Physics and Astronomy, University of North Carolina, Chapel Hill, NC 27599-3255 (United States)
2010-12-15
Consequences of the well-known Poisson-Nernst-Planck (PNP) continuum equations of charge motion in liquids or solids for ordinary or anomalous diffusion are investigated for an electrochemical cell with completely blocking electrodes. Previous work is summarized and much of it is shown to be independent of earlier published results and incomplete, with little comparison made between ordinary and anomalous diffusion. Such comparison is provided here and also includes variation of the mobility ratio of the mobilities of positive and negative charges from equality to charge of only one sign mobile. New generation-recombination effects are demonstrated for a range of mobility ratios, with particular attention given to those present for the case of charge of only one sign mobile. No previous analyses of experimental data with PNP models using complex-least-squares fitting have been published. Here such a model is found to fit frequency response data well for a hydrogel and to lead to estimates of physically meaningful parameters such as the diffusion constant and ionic concentration. PNP analysis of a synthetic data set derived from experimental results for liquid electrolytes refutes claims made in the original publication dealing with it, but verifies and extends an interesting analysis equation proposed there. PNP fitting of data for solids, including ones showing colossal low-frequency-limiting dielectric constants, suggests that they may often be well described as arising from simple diffuse-charge double-layer effects, and that continuum microscopic models such as the PNP, in series with a conducting Debye response model, may be sufficient for fitting well an appreciable amount of data involving ion hopping and trapping behavior.
International Nuclear Information System (INIS)
Macdonald, J Ross
2010-01-01
Consequences of the well-known Poisson-Nernst-Planck (PNP) continuum equations of charge motion in liquids or solids for ordinary or anomalous diffusion are investigated for an electrochemical cell with completely blocking electrodes. Previous work is summarized and much of it is shown to be independent of earlier published results and incomplete, with little comparison made between ordinary and anomalous diffusion. Such comparison is provided here and also includes variation of the mobility ratio of the mobilities of positive and negative charges from equality to charge of only one sign mobile. New generation-recombination effects are demonstrated for a range of mobility ratios, with particular attention given to those present for the case of charge of only one sign mobile. No previous analyses of experimental data with PNP models using complex-least-squares fitting have been published. Here such a model is found to fit frequency response data well for a hydrogel and to lead to estimates of physically meaningful parameters such as the diffusion constant and ionic concentration. PNP analysis of a synthetic data set derived from experimental results for liquid electrolytes refutes claims made in the original publication dealing with it, but verifies and extends an interesting analysis equation proposed there. PNP fitting of data for solids, including ones showing colossal low-frequency-limiting dielectric constants, suggests that they may often be well described as arising from simple diffuse-charge double-layer effects, and that continuum microscopic models such as the PNP, in series with a conducting Debye response model, may be sufficient for fitting well an appreciable amount of data involving ion hopping and trapping behavior.
Mouse models of ageing and their relevance to disease.
Kõks, Sulev; Dogan, Soner; Tuna, Bilge Guvenc; González-Navarro, Herminia; Potter, Paul; Vandenbroucke, Roosmarijn E
2016-12-01
Ageing is a process that gradually increases the organism's vulnerability to death. It affects different biological pathways, and the underlying cellular mechanisms are complex. In view of the growing disease burden of ageing populations, increasing efforts are being invested in understanding the pathways and mechanisms of ageing. We review some mouse models commonly used in studies on ageing, highlight the advantages and disadvantages of the different strategies, and discuss their relevance to disease susceptibility. In addition to addressing the genetics and phenotypic analysis of mice, we discuss examples of models of delayed or accelerated ageing and their modulation by caloric restriction. Copyright Â© 2016 The Authors. Published by Elsevier Ireland Ltd.. All rights reserved.
International Nuclear Information System (INIS)
Zheng, L.; Samper, J.
2005-01-01
Full text of publication follows: Double porosity, double permeability and dual continuum models (DCM) are widely used for modeling preferential water flow and mass transport in unsaturated and fractured media. Here we present a DCM of fully coupled non-isothermal multiphase flow and reactive transport model for the FEBEX compacted bentonite, a material which exhibits a double porosity behavior.. FEBEX (Full-scale Engineered Barrier EXperiment) is a demonstration and research project dealing with the bentonite engineered barrier designed for sealing and containment of a high level radioactive waste repository. Our DCM considers inter-aggregate macro-pores, and intra-aggregate and interlayer micro-pores. Two types of DCMs are tested: the dual continuum connected matrix (DCCM) and the dual continuum dis connected matrix (DCDM). Liquid flow in macro-pores is described with a mass conservation equation accounting for Darcian flow, chemical and thermal osmosis. In DCCM, water flux in micropores is calculated with a modified Darcy's law by adding a chemical osmosis term. A simple mass balance equation is used for DCDM which contains a storage and a water exchange term for water in micropores. A mixed type of water exchange term is adopted which includes a second order term accounting for water transfer due to the difference in liquid pressure and a first order term accounting for the gradient in chemical osmosis pressure. Equations of mass conservation for liquid, gas and heat in macro-pores and liquid mass conservation in micropores are solved by using a Newton-Raphson method. Two transport equations with a coupling interaction term are used to describe solute transport in macro- and micro-pores. The coupling term contains a first order diffusion term and a convection term (solute exchange due to water exchange). Transport equations as well as chemical reactions in the two domains are solved by means of a sequential iteration method. All these feature have been
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.
Fluid dynamics of air in a packed bed: velocity profiles and the continuum model assumption
Directory of Open Access Journals (Sweden)
NEGRINI A. L.
1999-01-01
Full Text Available Air flow through packed beds was analyzed experimentally under conditions ranging from those that reinforce the effect of the wall on the void fraction to those that minimize it. The packing was spherical particles, with a tube-to-particle diameter ratio (D/dp between 3 and 60. Air flow rates were maintained between 1.3 and 4.44 m3/min, and gas velocity was measured with a Pitot tube positioned above the bed exit. Measurements were made at various radial and angular coordinate values, allowing the distribution of air flow across the bed to be described in detail. Comparison of the experimentally observed radial profiles with those derived from published equations revealed that at high D/dp ratios the measured and calculated velocity profiles behaved similarly. At low ratios, oscillations in the velocity profiles agreed with those in the voidage profiles, signifying that treating the porous medium as a continuum medium is questionable in these cases.
International Nuclear Information System (INIS)
Cuerno, Rodolfo; Castro, Mario; Munoz-Garcia, Javier; Gago, Raul; Vazquez, Luis
2011-01-01
Although reports on surface nanostructuring of solid targets by low to medium energy ion irradiation date back to the 1960s, only with the advent of high resolution tools for surface/interface characterization has the high potential of this procedure been recognized as a method for efficient production of surface patterns. Such morphologies are made up of periodic arrangements of nanometric sized features, like ripples and dots, with interest for technological applications due to their electronic, magnetic, and optical properties. Thus, roughly for the last ten years large efforts have been directed towards harnessing this nanofabrication technique. However, and particularly in view of recent experimental developments, we can say that the basic mechanisms controlling these pattern formation processes remain poorly understood. The lack of nanostructuring at low angles of incidence on some pure monoelemental targets, the role of impurities in the surface dynamics and other recent observations are challenging the classic view on the phenomenon as the mere interplay between the curvature dependence of the sputtering yield and surface diffusion. We review the main attempts at a theoretical (continuum) description of these systems, with emphasis on recent developments. Strong hints already exist that the nature of the morphological instability has to be rethought as originating in the material flow that is induced by the ion beam.
Coats, Timothy William
1994-01-01
Progressive failure is a crucial concern when using laminated composites in structural design. Therefore the ability to model damage and predict the life of laminated composites is vital. The purpose of this research was to experimentally verify the application of the continuum damage model, a progressive failure theory utilizing continuum damage mechanics, to a toughened material system. Damage due to tension-tension fatigue was documented for the IM7/5260 composite laminates. Crack density and delamination surface area were used to calculate matrix cracking and delamination internal state variables, respectively, to predict stiffness loss. A damage dependent finite element code qualitatively predicted trends in transverse matrix cracking, axial splits and local stress-strain distributions for notched quasi-isotropic laminates. The predictions were similar to the experimental data and it was concluded that the continuum damage model provided a good prediction of stiffness loss while qualitatively predicting damage growth in notched laminates.
Culturally relevant model program to prevent and reduce agricultural injuries.
Helitzer, D L; Hathorn, G; Benally, J; Ortega, C
2014-07-01
Limited research has explored pesticide injury prevention among American Indian farmers. In a five-year agricultural intervention, a university-community partnership, including the University of New Mexico School of Medicine, New Mexico State University, Shiprock Area Cooperative Extension Service, and Navajo Nation communities, used a culturally relevant model to introduce and maintain safe use of integrated pest management techniques. We applied the Diffusion of Innovations theory and community-based approaches to tailor health promotion strategies for our intervention. In a longitudinal study with repeated measures, we trained six "model farmers" to be crop management experts in pesticide safety, application, and control. Subsequently, these model farmers worked with 120 farm families randomized into two groups: intervention (Group 1) and delayed intervention (Group 2). Measurements included a walk-through analysis, test of knowledge and attitudes, and yield analysis. Both groups demonstrated improvements in pesticide storage behaviors after training. Test scores regarding safety practices improved significantly: from 57.3 to 72.4 for Group 1 and from 52.6 to 76.3 for Group 2. Group 1 maintained their knowledge and safety practices after the intervention. Attitudes about pesticides and communication of viewpoints changed across the study years. With pesticides and fertilizer, the number of corn ears increased by 56.3% and yield (kg m(-2)) of alfalfa increased by 41.2%. The study combined traditional farming practices with culturally relevant approaches and behavior change theory to affect knowledge, safety practices, attitudes, communication channels, and crop yield. Storage behaviors, use of pesticides and safety and application equipment, and safety practice knowledge changed significantly, as did attitudes about social networking, social support, and the compatibility and relative advantage of pesticides for farms.
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.
Xu, Zexuan; Hu, Bill
2016-04-01
Dual-permeability karst aquifers of porous media and conduit networks with significant different hydrological characteristics are widely distributed in the world. Discrete-continuum numerical models, such as MODFLOW-CFP and CFPv2, have been verified as appropriate approaches to simulate groundwater flow and solute transport in numerical modeling of karst hydrogeology. On the other hand, seawater intrusion associated with fresh groundwater resources contamination has been observed and investigated in numbers of coastal aquifers, especially under conditions of sea level rise. Density-dependent numerical models including SEAWAT are able to quantitatively evaluate the seawater/freshwater interaction processes. A numerical model of variable-density flow and solute transport - conduit flow process (VDFST-CFP) is developed to provide a better description of seawater intrusion and submarine groundwater discharge in a coastal karst aquifer with conduits. The coupling discrete-continuum VDFST-CFP model applies Darcy-Weisbach equation to simulate non-laminar groundwater flow in the conduit system in which is conceptualized and discretized as pipes, while Darcy equation is still used in continuum porous media. Density-dependent groundwater flow and solute transport equations with appropriate density terms in both conduit and porous media systems are derived and numerically solved using standard finite difference method with an implicit iteration procedure. Synthetic horizontal and vertical benchmarks are created to validate the newly developed VDFST-CFP model by comparing with other numerical models such as variable density SEAWAT, couplings of constant density groundwater flow and solute transport MODFLOW/MT3DMS and discrete-continuum CFPv2/UMT3D models. VDFST-CFP model improves the simulation of density dependent seawater/freshwater mixing processes and exchanges between conduit and matrix. Continuum numerical models greatly overestimated the flow rate under turbulent flow
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.
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.
Location Criteria Relevant for Sustainability of Social Housing Model
Directory of Open Access Journals (Sweden)
Petković-Grozdanović Nataša
2016-01-01
Full Text Available Social housing models, which had began to develop during the last century, for their only objective had a need to overcome the housing problems of socially vulnerable categories. However, numerous studies have shown that these social categories, because of their low social status, are highly susceptible to various psychological and sociological problems. On the other hand a low level of quality, which was common for social housing dwellings, has further aggravated these problems by initiating trouble behaviours among tenants, affecting social exclusion and segregation. Contemporary social housing models are therefore conceptualized in a way to provide a positive psycho-sociological impact on their tenants. Therefore the planning approach in social housing should be such to: support important functions in daily life routines; promote tolerance and cooperation; influence on a sense of social order and belonging; affect the socialization of the tenant and their integration into the wider community; and improve social cohesion. Analysis of the influential location parameters of immediate and wider social housing environment strive to define the ones relevant to the life quality of social housing tenants and therefore influence on the sustainability of social housing model.
A unified gas-kinetic scheme for continuum and rarefied flows IV: Full Boltzmann and model equations
Energy Technology Data Exchange (ETDEWEB)
Liu, Chang, E-mail: cliuaa@ust.hk [Department of Mathematics and Department of Mechanical and Aerospace Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Xu, Kun, E-mail: makxu@ust.hk [Department of Mathematics and Department of Mechanical and Aerospace Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Sun, Quanhua, E-mail: qsun@imech.ac.cn [State Key Laboratory of High-temperature Gas Dynamics, Institute of Mechanics, Chinese Academy of Sciences, No. 15 Beisihuan Xi Rd, Beijing 100190 (China); Cai, Qingdong, E-mail: caiqd@mech.pku.edu.cn [Department of Mechanics and Aerospace Engineering, College of Engineering, Peking University, Beijing 100871 (China)
2016-06-01
Fluid dynamic equations are valid in their respective modeling scales, such as the particle mean free path scale of the Boltzmann equation and the hydrodynamic scale of the Navier–Stokes (NS) equations. With a variation of the modeling scales, theoretically there should have a continuous spectrum of fluid dynamic equations. Even though the Boltzmann equation is claimed to be valid in all scales, many Boltzmann solvers, including direct simulation Monte Carlo method, require the cell resolution to the order of particle mean free path scale. Therefore, they are still single scale methods. In order to study multiscale flow evolution efficiently, the dynamics in the computational fluid has to be changed with the scales. A direct modeling of flow physics with a changeable scale may become an appropriate approach. The unified gas-kinetic scheme (UGKS) is a direct modeling method in the mesh size scale, and its underlying flow physics depends on the resolution of the cell size relative to the particle mean free path. The cell size of UGKS is not limited by the particle mean free path. With the variation of the ratio between the numerical cell size and local particle mean free path, the UGKS recovers the flow dynamics from the particle transport and collision in the kinetic scale to the wave propagation in the hydrodynamic scale. The previous UGKS is mostly constructed from the evolution solution of kinetic model equations. Even though the UGKS is very accurate and effective in the low transition and continuum flow regimes with the time step being much larger than the particle mean free time, it still has space to develop more accurate flow solver in the region, where the time step is comparable with the local particle mean free time. In such a scale, there is dynamic difference from the full Boltzmann collision term and the model equations. This work is about the further development of the UGKS with the implementation of the full Boltzmann collision term in the region
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.
Pottschmidt, Katja; Hemphill, Paul B.; Wolff, Michael T.; Cheatham, Diana M.; Iwakiri, Wataru; Gottlieb, Amy M.; Falkner, Sebastian; Ballhausen, Ralf; Fuerst, Felix; Kuehnel, Matthias; Ferrigno, Carlo; Becker, Peter A.; Wood, Kent S.; Wilms, Joern
2018-01-01
A new window for better understanding the accretion onto strongly magnetized neutron stars in X-ray binaries is opening. In these systems the accreted material follows the magnetic field lines as it approaches the neutron star, forming accretion columns above the magnetic poles. The plasma falls toward the neutron star surface at near-relativistic speeds, losing energy by emitting X-rays. The X-ray spectral continua are commonly described using phenomenological models, i.e., power laws with different types of curved cut-offs at higher energies. Here we consider high luminosity pulsars. In these systems the mass transfer rate is high enough that the accreting plasma is thought to be decelerated in a radiation-dominated radiative shock in the accretion columns. While the theory of the emission from such shocks had already been developed by 2007, a model for direct comparison with X-ray continuum spectra in xspec or isis has only recently become available. Characteristic parameters of this model are the accretion column radius and the plasma temperature, among others. Here we analyze the broadband X-ray spectra of the accreting pulsars Centaurus X-3 and 4U 1626-67 obtained with NuSTAR. We present results from traditional empirical modeling as well as successfully apply the radiation-dominated radiative shock model. We also take the opportunity to compare to similar recent analyses of both sources using these and other observations.
Spangenberger, H.; Beck, F.; Richter, A.
The usual continuum shell model is extended so as to include a statistical treatment of multi-doorway processes. The total configuration space of the nuclear reaction problem is subdivided into the primary doorway states which are coupled by the initial excitation to the nuclear ground state and the secondary doorway states which represent the complicated nature of multi-step reactions. The latter are evaluated within the exciton model which gives the coupling widths between the various finestructure subspaces. This coupling is determined by a statistical factor related to the exciton model and a dynamical factor given by the interaction matrix elements of the interacting excitons. The whole structure defines the multi-doorway continuum shell model. In this work it is applied to the highly fragmented magnetic dipole strength in 58Ni observed in high resolution electron scattering.Translated AbstractAnwendung des Multi-Doorway-Kontinuum-Schalenmodells auf die Verteilung der magnetischen Dipolstärke von 58NiDas Kontinuum-Schalenmodell wurde so erweitert, daß auch statistische Multi-Doorway-Prozesse berücksichtigt werden können. Hierzu wird der Konfigurationsraum unterteilt in den Raum der primären Doorway-Zustände, die direkt aus dem Grundzustand angeregt werden, und den der sekundären Doorway-Zustände, die die komplizierte Struktur der Multi-Step-Reaktionen repräsentieren. Während die primären Doorway-Zustände inclusive ihrer Anregungen mittels üblicher Schalenmodellmethoden beschrieben werden können, werden die sekundären Doorway-Zustände sowie ihre verschiedenen Kopplungen im Rahmen des Exciton-Modells behandelt. Diese Kopplungen sind durch einen aus dem Exciton-Modell resultierenden Faktor sowie durch einen dynamischen Faktor bestimmt, der sich aus dem Matrixelement der wechselwirkenden Excitonen berechnet. Die Struktur der Kopplungen definiert das Multi-Doorway-Kontinuum-Schalenmodell, das hier auf die Beschreibung der stark fragmentierten
Simakov, Nikolay A.
2010-01-01
A soft repulsion (SR) model of short range interactions between mobile ions and protein atoms is introduced in the framework of continuum representation of the protein and solvent. The Poisson-Nernst-Plank (PNP) theory of ion transport through biological channels is modified to incorporate this soft wall protein model. Two sets of SR parameters are introduced: the first is parameterized for all essential amino acid residues using all atom molecular dynamic simulations; the second is a truncated Lennard – Jones potential. We have further designed an energy based algorithm for the determination of the ion accessible volume, which is appropriate for a particular system discretization. The effects of these models of short-range interaction were tested by computing current-voltage characteristics of the α-hemolysin channel. The introduced SR potentials significantly improve prediction of channel selectivity. In addition, we studied the effect of choice of some space-dependent diffusion coefficient distributions on the predicted current-voltage properties. We conclude that the diffusion coefficient distributions largely affect total currents and have little effect on rectifications, selectivity or reversal potential. The PNP-SR algorithm is implemented in a new efficient parallel Poisson, Poisson-Boltzman and PNP equation solver, also incorporated in a graphical molecular modeling package HARLEM. PMID:21028776
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.
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.
Continuum modeling of three-dimensional truss-like space structures
Nayfeh, A. H.; Hefzy, M. S.
1978-01-01
A mathematical and computational analysis capability has been developed for calculating the effective mechanical properties of three-dimensional periodic truss-like structures. Two models are studied in detail. The first, called the octetruss model, is a three-dimensional extension of a two-dimensional model, and the second is a cubic model. Symmetry considerations are employed as a first step to show that the specific octetruss model has four independent constants and that the cubic model has two. The actual values of these constants are determined by averaging the contributions of each rod element to the overall structure stiffness. The individual rod member contribution to the overall stiffness is obtained by a three-dimensional coordinate transformation. The analysis shows that the effective three-dimensional elastic properties of both models are relatively close to each other.
Coarse-graining to the meso and continuum scales with molecular-dynamics-like models
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.
A Long-Range Electric Field Solver for Molecular Dynamics Based on Atomistic-to-Continuum Modeling.
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.
Schwarz, F.; Goldstein, M.; Dorda, A.; Arrigoni, E.; Weichselbaum, A.; von Delft, J.
2016-10-01
The description of interacting quantum impurity models in steady-state nonequilibrium is an open challenge for computational many-particle methods: the numerical requirement of using a finite number of lead levels and the physical requirement of describing a truly open quantum system are seemingly incompatible. One possibility to bridge this gap is the use of Lindblad-driven discretized leads (LDDL): one couples auxiliary continuous reservoirs to the discretized lead levels and represents these additional reservoirs by Lindblad terms in the Liouville equation. For quadratic models governed by Lindbladian dynamics, we present an elementary approach for obtaining correlation functions analytically. In a second part, we use this approach to explicitly discuss the conditions under which the continuum limit of the LDDL approach recovers the correct representation of thermal reservoirs. As an analytically solvable example, the nonequilibrium resonant level model is studied in greater detail. Lastly, we present ideas towards a numerical evaluation of the suggested Lindblad equation for interacting impurities based on matrix product states. In particular, we present a reformulation of the Lindblad equation, which has the useful property that the leads can be mapped onto a chain where both the Hamiltonian dynamics and the Lindblad driving are local at the same time. Moreover, we discuss the possibility to combine the Lindblad approach with a logarithmic discretization needed for the exploration of exponentially small energy scales.
Caricato, Marco
2018-04-01
We report the theory and the implementation of the linear response function of the coupled cluster (CC) with the single and double excitations method combined with the polarizable continuum model of solvation, where the correlation solvent response is approximated with the perturbation theory with energy and singles density (PTES) scheme. The singles name is derived from retaining only the contribution of the CC single excitation amplitudes to the correlation density. We compare the PTES working equations with those of the full-density (PTED) method. We then test the PTES scheme on the evaluation of excitation energies and transition dipoles of solvated molecules, as well as of the isotropic polarizability and specific rotation. Our results show a negligible difference between the PTED and PTES schemes, while the latter affords a significantly reduced computational cost. This scheme is general and can be applied to any solvation model that includes mutual solute-solvent polarization, including explicit models. Therefore, the PTES scheme is a competitive approach to compute response properties of solvated systems using CC methods.
Revisiting Temporal Markov Chains for Continuum modeling of Transport in Porous Media
Delgoshaie, A. H.; Jenny, P.; Tchelepi, H.
2017-12-01
The transport of fluids in porous media is dominated by flow-field heterogeneity resulting from the underlying permeability field. Due to the high uncertainty in the permeability field, many realizations of the reference geological model are used to describe the statistics of the transport phenomena in a Monte Carlo (MC) framework. There has been strong interest in working with stochastic formulations of the transport that are different from the standard MC approach. Several stochastic models based on a velocity process for tracer particle trajectories have been proposed. Previous studies have shown that for high variances of the log-conductivity, the stochastic models need to account for correlations between consecutive velocity transitions to predict dispersion accurately. The correlated velocity models proposed in the literature can be divided into two general classes of temporal and spatial Markov models. Temporal Markov models have been applied successfully to tracer transport in both the longitudinal and transverse directions. These temporal models are Stochastic Differential Equations (SDEs) with very specific drift and diffusion terms tailored for a specific permeability correlation structure. The drift and diffusion functions devised for a certain setup would not necessarily be suitable for a different scenario, (e.g., a different permeability correlation structure). The spatial Markov models are simple discrete Markov chains that do not require case specific assumptions. However, transverse spreading of contaminant plumes has not been successfully modeled with the available correlated spatial models. Here, we propose a temporal discrete Markov chain to model both the longitudinal and transverse dispersion in a two-dimensional domain. We demonstrate that these temporal Markov models are valid for different correlation structures without modification. Similar to the temporal SDEs, the proposed model respects the limited asymptotic transverse spreading of
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.
Continuum-Scale Modeling of Liquid Redistribution in a Stack of Thin Hydrophilic Fibrous Layers
Tavangarrad, A.H.; Mohebbi, Behzad; Hassanizadeh, S.M.|info:eu-repo/dai/nl/074974424; Rosati, Rodrigo; Claussen, Jan; Blümich, Bernhard
Macroscale three-dimensional modeling of fluid flow in a thin porous layer under unsaturated conditions is a challenging task. One major issue is that such layers do not satisfy the representative elementary volume length-scale requirement. Recently, a new approach, called reduced continua model
Modeling Cable and Guide Channel Interaction in a High-Strength Cable-Driven Continuum Manipulator.
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.
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...
Continuum Models for Irregular Phase Boundary Motion in Shape-Memory Tensile Bars
National Research Council Canada - National Science Library
Rosakis, Phoebus
1997-01-01
... observed experimentally. We show that when the model involves a kinetic relation that is 'unstable' in a definite sense, 'stick-slip' motion of the interface between phases and serration of the accompanying stress-elongation...
Navigating the flow: individual and continuum models for homing in flowing environments.
Painter, Kevin J; Hillen, Thomas
2015-11-06
Navigation for aquatic and airborne species often takes place in the face of complicated flows, from persistent currents to highly unpredictable storms. Hydrodynamic models are capable of simulating flow dynamics and provide the impetus for much individual-based modelling, in which particle-sized individuals are immersed into a flowing medium. These models yield insights on the impact of currents on population distributions from fish eggs to large organisms, yet their computational demands and intractability reduce their capacity to generate the broader, less parameter-specific, insights allowed by traditional continuous approaches. In this paper, we formulate an individual-based model for navigation within a flowing field and apply scaling to derive its corresponding macroscopic and continuous model. We apply it to various movement classes, from drifters that simply go with the flow to navigators that respond to environmental orienteering cues. The utility of the model is demonstrated via its application to 'homing' problems and, in particular, the navigation of the marine green turtle Chelonia mydas to Ascension Island. © 2015 The Author(s).
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.
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
Wu, Jie; Yu, Sheng-Tao; Jiang, Bo-nan
1996-01-01
In this paper a numerical procedure for simulating two-fluid flows is presented. This procedure is based on the Volume of Fluid (VOF) method proposed by Hirt and Nichols and the continuum surface force (CSF) model developed by Brackbill, et al. In the VOF method fluids of different properties are identified through the use of a continuous field variable (color function). The color function assigns a unique constant (color) to each fluid. The interfaces between different fluids are distinct due to sharp gradients of the color function. The evolution of the interfaces is captured by solving the convective equation of the color function. The CSF model is used as a means to treat surface tension effect at the interfaces. Here a modified version of the CSF model, proposed by Jacqmin, is used to calculate the tension force. In the modified version, the force term is obtained by calculating the divergence of a stress tensor defined by the gradient of the color function. In its analytical form, this stress formulation is equivalent to the original CSF model. Numerically, however, the use of the stress formulation has some advantages over the original CSF model, as it bypasses the difficulty in approximating the curvatures of the interfaces. The least-squares finite element method (LSFEM) is used to discretize the governing equation systems. The LSFEM has proven to be effective in solving incompressible Navier-Stokes equations and pure convection equations, making it an ideal candidate for the present applications. The LSFEM handles all the equations in a unified manner without any additional special treatment such as upwinding or artificial dissipation. Various bench mark tests have been carried out for both two dimensional planar and axisymmetric flows, including a dam breaking, oscillating and stationary bubbles and a conical liquid sheet in a pressure swirl atomizer.
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
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....
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
Compacton solutions and multiple compacton solutions for a continuum Toda lattice model
International Nuclear Information System (INIS)
Fan Xinghua; Tian Lixin
2006-01-01
Some special solutions of the Toda lattice model with a transversal degree of freedom are obtained. With the aid of Mathematica and Wu elimination method, more explicit solitary wave solutions, including compacton solutions, multiple compacton solutions, peakon solutions, as well as periodic solutions are found in this paper
Continuum Gyrokinetic Simulations of Turbulence in a Helical Model SOL with NSTX-type parameters
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.
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 an...
Unified continuum damage model for matrix cracking in composite rotor blades
Energy Technology Data Exchange (ETDEWEB)
Pollayi, Hemaraju; Harursampath, Dineshkumar [Nonlinear Multifunctional Composites - Analysis and Design Lab (NMCAD Lab) Department of Aerospace Engineering Indian Institute of Science Bangalore - 560012, Karnataka (India)
2015-03-10
This paper deals with modeling of the first damage mode, matrix micro-cracking, in helicopter rotor/wind turbine blades and how this effects the overall cross-sectional stiffness. The helicopter/wind turbine rotor system operates in a highly dynamic and unsteady environment leading to severe vibratory loads present in the system. Repeated exposure to this loading condition can induce damage in the composite rotor blades. These rotor/turbine blades are generally made of fiber-reinforced laminated composites and exhibit various competing modes of damage such as matrix micro-cracking, delamination, and fiber breakage. There is a need to study the behavior of the composite rotor system under various key damage modes in composite materials for developing Structural Health Monitoring (SHM) system. Each blade is modeled as a beam based on geometrically non-linear 3-D elasticity theory. Each blade thus splits into 2-D analyzes of cross-sections and non-linear 1-D analyzes along the beam reference curves. Two different tools are used here for complete 3-D analysis: VABS for 2-D cross-sectional analysis and GEBT for 1-D beam analysis. The physically-based failure models for matrix in compression and tension loading are used in the present work. Matrix cracking is detected using two failure criterion: Matrix Failure in Compression and Matrix Failure in Tension which are based on the recovered field. A strain variable is set which drives the damage variable for matrix cracking and this damage variable is used to estimate the reduced cross-sectional stiffness. The matrix micro-cracking is performed in two different approaches: (i) Element-wise, and (ii) Node-wise. The procedure presented in this paper is implemented in VABS as matrix micro-cracking modeling module. Three examples are presented to investigate the matrix failure model which illustrate the effect of matrix cracking on cross-sectional stiffness by varying the applied cyclic load.
Unified continuum damage model for matrix cracking in composite rotor blades
International Nuclear Information System (INIS)
Pollayi, Hemaraju; Harursampath, Dineshkumar
2015-01-01
This paper deals with modeling of the first damage mode, matrix micro-cracking, in helicopter rotor/wind turbine blades and how this effects the overall cross-sectional stiffness. The helicopter/wind turbine rotor system operates in a highly dynamic and unsteady environment leading to severe vibratory loads present in the system. Repeated exposure to this loading condition can induce damage in the composite rotor blades. These rotor/turbine blades are generally made of fiber-reinforced laminated composites and exhibit various competing modes of damage such as matrix micro-cracking, delamination, and fiber breakage. There is a need to study the behavior of the composite rotor system under various key damage modes in composite materials for developing Structural Health Monitoring (SHM) system. Each blade is modeled as a beam based on geometrically non-linear 3-D elasticity theory. Each blade thus splits into 2-D analyzes of cross-sections and non-linear 1-D analyzes along the beam reference curves. Two different tools are used here for complete 3-D analysis: VABS for 2-D cross-sectional analysis and GEBT for 1-D beam analysis. The physically-based failure models for matrix in compression and tension loading are used in the present work. Matrix cracking is detected using two failure criterion: Matrix Failure in Compression and Matrix Failure in Tension which are based on the recovered field. A strain variable is set which drives the damage variable for matrix cracking and this damage variable is used to estimate the reduced cross-sectional stiffness. The matrix micro-cracking is performed in two different approaches: (i) Element-wise, and (ii) Node-wise. The procedure presented in this paper is implemented in VABS as matrix micro-cracking modeling module. Three examples are presented to investigate the matrix failure model which illustrate the effect of matrix cracking on cross-sectional stiffness by varying the applied cyclic load
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
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
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.
Theory of a spherical electrostatic probe in a continuum plasma: Analytical models
International Nuclear Information System (INIS)
Brailsford, A.D.
1977-01-01
A simple physical model of the charge distribution surrounding a biased spherical probe in a quiescent plasma, suggested by the theory of Su and Lam, is used to rederive the probe current-voltage characteristic. The result is compared with that of a slightly different version due to Kiel and with the exact numerical results of Baum and Chapkis. It is shown that if the ratio of the probe radius to the Debye length of the plasma is greater than or of the order of unity, the model calculation is in excellent agreement with the exact results when the dimensionless probe voltage phi/sup asterisk//sub p/,=vertical-barephi/sub p//kTvertical-bar in standard notation, is greater than 10, for both thick and thin sheaths. The comparison also provides an assessment of the importance of various additional validity criteria encountered in analytical treatments of the problem
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.
Continuum Kinetic Plasma Modeling Using a Conservative 4th-Order Method with AMR
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.
Farajpour, M. R.; Shahidi, A. R.; Farajpour, A.
2018-03-01
In this study, the buckling behavior of a three-layered composite nanoplate reinforced with shape memory alloy (SMA) nanowires is examined. Whereas the upper and lower layers are reinforced with typical nanowires, SMA nanoscale wires are used to strengthen the middle layer of the system. The composite nanoplate is assumed to be under the action of biaxial compressive loading. A scale-dependent mathematical model is presented with the consideration of size effects within the context of the Eringen’s nonlocal continuum mechanics. Using the one-dimensional Brinson’s theory and the Kirchhoff theory of plates, the governing partial differential equations of SMA nanowire-reinforced hybrid nanoplates are derived. Both lateral and longitudinal deflections are taken into consideration in the theoretical formulation and method of solution. In order to reduce the governing differential equations to their corresponding algebraic equations, a discretization approach based on the differential quadrature method is employed. The critical buckling loads of the hybrid nanosystem with various boundary conditions are obtained with the use of a standard eigenvalue solver. It is found that the stability response of SMA composite nanoplates is strongly sensitive to the small scale effect.
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
DEFF Research Database (Denmark)
Sedaghatizadeh, N.; Atefi, G.; Fardad, A. A.
2011-01-01
In this investigation, semiempirical and numerical studies of blood flow in a viscoelastic artery were performed using the Cosserat continuum model. The large-amplitude oscillatory shear deformation model was used to quantify the nonlinear viscoelastic response of blood flow. The finite differenc...... method was used to solve the governing equations, and the particle swarm optimization algorithm was utilized to identify the non-Newtonian coefficients (kυ and γυ). The numerical results agreed well with previous experimental results....
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.
International Nuclear Information System (INIS)
Dreimann, Karsten; Linz, Stefan J.
2010-01-01
Graphical abstract: Deterministic surface pattern (left) and its stochastic counterpart (right) arising in a stochastic damped Kuramoto-Sivashinsky equation that serves as a model equation for ion-beam eroded surfaces and is systematically investigated. - Abstract: Using a recently proposed field equation for the surface evolution of ion-beam eroded semiconductor target materials under normal incidence, we systematically explore the impact of additive stochastic fluctuations that are permanently present during the erosion process. Specifically, we investigate the dependence of the surface roughness, the underlying pattern forming properties and the bifurcation behavior on the strength of the fluctuations.
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
Transform methods for precision continuum and control models of flexible space structures
Lupi, Victor D.; Turner, James D.; Chun, Hon M.
1991-01-01
An open loop optimal control algorithm is developed for general flexible structures, based on Laplace transform methods. A distributed parameter model of the structure is first presented, followed by a derivation of the optimal control algorithm. The control inputs are expressed in terms of their Fourier series expansions, so that a numerical solution can be easily obtained. The algorithm deals directly with the transcendental transfer functions from control inputs to outputs of interest, and structural deformation penalties, as well as penalties on control effort, are included in the formulation. The algorithm is applied to several structures of increasing complexity to show its generality.
Atomistic simulation and continuum modeling of graphene nanoribbons under uniaxial tension
International Nuclear Information System (INIS)
Lu, Qiang; Gao, Wei; Huang, Rui
2011-01-01
Atomistic simulations are performed to study the nonlinear mechanical behavior of graphene nanoribbons under quasistatic uniaxial tension, emphasizing the effects of edge structures (armchair and zigzag, without and with hydrogen passivation) on elastic modulus and fracture strength. The numerical results are analyzed within a theoretical model of thermodynamics, which enables determination of the bulk strain energy density, the edge energy density and the hydrogen adsorption energy density as nonlinear functions of the applied strain based on static molecular mechanics simulations. These functions can be used to describe mechanical behavior of graphene nanoribbons from the initial linear elasticity to fracture. It is found that the initial Young's modulus of a graphene nanoribbon depends on the ribbon width and the edge chirality. Furthermore, it is found that the nominal strain to fracture is considerably lower for graphene nanoribbons with armchair edges than for ribbons with zigzag edges. Molecular dynamics simulations reveal two distinct fracture nucleation mechanisms: homogeneous nucleation for the zigzag-edged graphene nanoribbons and edge-controlled heterogeneous nucleation for the armchair-edged ribbons. The modeling and simulations in this study highlight the atomistic mechanisms for the nonlinear mechanical behavior of graphene nanoribbons with the edge effects, which is potentially important for developing integrated graphene-based devices
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.
3D Fluid-Structure Interaction Simulation of Aortic Valves Using a Unified Continuum ALE FEM Model.
Spühler, Jeannette H; Jansson, Johan; Jansson, Niclas; Hoffman, Johan
2018-01-01
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.
How Models Simulate the Radiative Effect in the Transition Zone of the Aerosol-Cloud Continuum
Calbo Angrill, J.; González, J. A.; Long, C. N.; McComiskey, A. C.
2017-12-01
Several studies have pointed towards dealing with clouds and aerosols as two manifestations of what is essentially the same physical phenomenon: a suspension of tiny particles in the air. Although the two extreme cases (i.e., pure aerosol and well-defined cloud) are easily distinguished, and obviously produce different radiative effects, there are many situations in the transition (or "twilight") zone. In a recent paper [Calbó et al., Atmos. Res. 2017, j.atmosres.2017.06.010], the authors of the current communication estimated that about 10% of time there might be a suspension of particles in the air that is difficult to distinguish as either cloud or aerosol. Radiative transfer models, however, simulate the effect of clouds and aerosols with different modules, routines, or parameterizations. In this study, we apply a sensitivity analysis approach to assess the ability of two radiative transfer models (SBDART and RRTM) in simulating the radiative effect of a suspension of particles with characteristics in the boundary between cloud and aerosol. We simulate this kind of suspension either in "cloud mode" or in "aerosol mode" and setting different values of optical depth, droplet size, water path, aerosol type, cloud height, etc. Irradiances both for solar and infrared bands are studied, both at ground level and at the top of the atmosphere, and all analyses are repeated for different solar zenith angles. We obtain that (a) water clouds and ice clouds have similar radiative effects if they have the same optical depth; (b) the spread of effects regarding different aerosol type/aerosol characteristics is remarkable; (c) radiative effects of an aerosol layer and of a cloud layer are different, even if they have similar optical depth; (d) for a given effect on the diffuse component, the effect on the direct component is usually greater (more extinction of direct beam) by aerosols than by clouds; (e) radiative transfer models are somewhat limited when simulating the
Continuum topology optimization considering uncertainties in load locations based on the cloud model
Liu, Jie; Wen, Guilin
2018-06-01
Few researchers have paid attention to designing structures in consideration of uncertainties in the loading locations, which may significantly influence the structural performance. In this work, cloud models are employed to depict the uncertainties in the loading locations. A robust algorithm is developed in the context of minimizing the expectation of the structural compliance, while conforming to a material volume constraint. To guarantee optimal solutions, sufficient cloud drops are used, which in turn leads to low efficiency. An innovative strategy is then implemented to enormously improve the computational efficiency. A modified soft-kill bi-directional evolutionary structural optimization method using derived sensitivity numbers is used to output the robust novel configurations. Several numerical examples are presented to demonstrate the effectiveness and efficiency of the proposed algorithm.
Bosonization of the two-dimensional t-J model in the continuum limit
International Nuclear Information System (INIS)
Schmeltzer, D.; Bishop, A.R.
1996-01-01
The t-J model in two dimensions is bosonized using a set of N, coupled two-dimensional Fermi-surface patches. Ignoring tunneling between the patches, the coherent tunneling of holes and the superfluid phase are suppressed. Within this scheme the system remains in the normal phase when temperature T→0. The main feature of this construction is the absence of screening of the dissipative transversal gauge field generated by the spinons. This dissipative gauge field is responsible for the non-Fermi-liquid behavior, which is manifested in the free energy and single-particle Green function. The deviation from Fermi-liquid behavior is due to the U(1) gauge field, and at long distances a new exponent due to the holes is identified. Experimental consequences are discussed. copyright 1996 The American Physical Society
Relevance Theory as model for analysing visual and multimodal communication
Forceville, C.; Machin, D.
2014-01-01
Elaborating on my earlier work (Forceville 1996: chapter 5, 2005, 2009; see also Yus 2008), I will here sketch how discussions of visual and multimodal discourse can be embedded in a more general theory of communication and cognition: Sperber and Wilson’s Relevance Theory/RT (Sperber and Wilson
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.
Short intergranular cracks in the piecewise anisotropic continuum model of the microstructure
International Nuclear Information System (INIS)
Cizelj, L.; Kovse, I.
2001-01-01
Computational algorithms aiming at modeling and visualization of the initiation and growth of intergranular stress corrosion cracks (e.g., in the steam generator tubes) on the grain-size scale have already been proposed [6]. The main focus of the paper is given to the influence of randomly oriented neighboring grains on the microscopic stress fields at crack tips. The incompatibility strains, which develop along the boundaries of randomly oriented anisotropic grains, are shown to influence the local stress fields at crack tips significantly. Special attention has been paid to the implementation and comparison of different numerical methods estimating the local stress fields at crack tips, aiming at optimizing the computational time and the numerical accuracy of the results. The limited number of calculations indicate that the anisotropic arrangement of grains with local incompatibility strains causes on average about 10% (plane strain) and 26% (plane stress) higher J-integral values at the crack tips than expected from the calculations in the isotropic case.(author)
A content relevance model for social media health information.
Prybutok, Gayle Linda; Koh, Chang; Prybutok, Victor R
2014-04-01
Consumer health informatics includes the development and implementation of Internet-based systems to deliver health risk management information and health intervention applications to the public. The application of consumer health informatics to educational and interventional efforts such as smoking reduction and cessation has garnered attention from both consumers and health researchers in recent years. Scientists believe that smoking avoidance or cessation before the age of 30 years can prevent more than 90% of smoking-related cancers and that individuals who stop smoking fare as well in preventing cancer as those who never start. The goal of this study was to determine factors that were most highly correlated with content relevance for health information provided on the Internet for a study group of 18- to 30-year-old college students. Data analysis showed that the opportunity for convenient entertainment, social interaction, health information-seeking behavior, time spent surfing on the Internet, the importance of available activities on the Internet (particularly e-mail), and perceived site relevance for Internet-based sources of health information were significantly correlated with content relevance for 18- to 30-year-old college students, an educated subset of this population segment.
The Relevance of Using Mathematical Models in Macroeconomic Policies Theory
Directory of Open Access Journals (Sweden)
Nora Mihail
2006-11-01
Full Text Available The article presents a look of the principal’s mathematical models – starting with Theil, Hansen and Tinbergen work – and their results used to analysis and design macroeconomic policies. In modeling field changes are very fast in theoretical aspects of modeling the many problems of macroeconomic policies and in using in practice the different political models elaboration. The article points out the problems of static and dynamic theory used in macro-policies modeling.
The Relevance of Using Mathematical Models in Macroeconomic Policies Theory
Directory of Open Access Journals (Sweden)
Nora Mihail
2006-09-01
Full Text Available The article presents a look of the principal’s mathematical models – starting with Theil, Hansen and Tinbergen work – and their results used to analysis and design macroeconomic policies. In modeling field changes are very fast in theoretical aspects of modeling the many problems of macroeconomic policies and in using in practice the different political models elaboration. The article points out the problems of static and dynamic theory used in macro-policies modeling.
Kiminori Matsuyama
1999-01-01
This paper develops a Ricardian model with a continuum of goods when consumers have nonhomothetic preferences. Goods are indexed in terms of priority, and the households add higher-indexed goods to their consumption baskets, as they become richer. South (North) has comparative advantage in a lower (higher) spectrum of goods, hence specializing in goods with lower (higher) income elasticities of demand. Due to the income elasticity difference, a variety of exogenous changes have asymmetric eff...
Extracting the relevant delays in time series modelling
DEFF Research Database (Denmark)
Goutte, Cyril
1997-01-01
selection, and more precisely stepwise forward selection. The method is compared to other forward selection schemes, as well as to a nonparametric tests aimed at estimating the embedding dimension of time series. The final application extends these results to the efficient estimation of FIR filters on some......In this contribution, we suggest a convenient way to use generalisation error to extract the relevant delays from a time-varying process, i.e. the delays that lead to the best prediction performance. We design a generalisation-based algorithm that takes its inspiration from traditional variable...
Passing waves from atomistic to continuum
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.
Theoretical Relevance of Neuropsychological Data for Connectionist Modelling
Directory of Open Access Journals (Sweden)
Mauricio Iza
2011-05-01
Full Text Available The symbolic information-processing paradigm in cognitive psychology has met a growing challenge from neural network models over the past two decades. While neuropsychological
evidence has been of great utility to theories concerned with information processing, the real question is, whether the less rigid connectionist models provide valid, or enough, information
concerning complex cognitive structures. In this work, we will discuss the theoretical implications that neuropsychological data posits for modelling cognitive systems.
A review of models relevant to road safety.
Hughes, B P; Newstead, S; Anund, A; Shu, C C; Falkmer, T
2015-01-01
It is estimated that more than 1.2 million people die worldwide as a result of road traffic crashes and some 50 million are injured per annum. At present some Western countries' road safety strategies and countermeasures claim to have developed into 'Safe Systems' models to address the effects of road related crashes. Well-constructed models encourage effective strategies to improve road safety. This review aimed to identify and summarise concise descriptions, or 'models' of safety. The review covers information from a wide variety of fields and contexts including transport, occupational safety, food industry, education, construction and health. The information from 2620 candidate references were selected and summarised in 121 examples of different types of model and contents. The language of safety models and systems was found to be inconsistent. Each model provided additional information regarding style, purpose, complexity and diversity. In total, seven types of models were identified. The categorisation of models was done on a high level with a variation of details in each group and without a complete, simple and rational description. The models identified in this review are likely to be adaptable to road safety and some of them have previously been used. None of systems theory, safety management systems, the risk management approach, or safety culture was commonly or thoroughly applied to road safety. It is concluded that these approaches have the potential to reduce road trauma. Copyright © 2014 Elsevier Ltd. All rights reserved.
Relevance of a Managerial Decision-Model to Educational Administration.
Lundin, Edward.; Welty, Gordon
The rational model of classical economic theory assumes that the decision maker has complete information on alternatives and consequences, and that he chooses the alternative that maximizes expected utility. This model does not allow for constraints placed on the decision maker resulting from lack of information, organizational pressures,…
On the empirical relevance of the transient in opinion models
Energy Technology Data Exchange (ETDEWEB)
Banisch, Sven, E-mail: sven.banisch@universecity.d [Mathematical Physics, Physics Department, Bielefeld University, 33501 Bielefeld (Germany); Institute for Complexity Science (ICC), 1249-078 Lisbon (Portugal); Araujo, Tanya, E-mail: tanya@iseg.utl.p [Research Unit on Complexity in Economics (UECE), ISEG, TULisbon, 1249-078 Lisbon (Portugal); Institute for Complexity Science (ICC), 1249-078 Lisbon (Portugal)
2010-07-12
While the number and variety of models to explain opinion exchange dynamics is huge, attempts to justify the model results using empirical data are relatively rare. As linking to real data is essential for establishing model credibility, this Letter develops an empirical confirmation experiment by which an opinion model is related to real election data. The model is based on a representation of opinions as a vector of k bits. Individuals interact according to the principle that similarity leads to interaction and interaction leads to still more similarity. In the comparison to real data we concentrate on the transient opinion profiles that form during the dynamic process. An artificial election procedure is introduced which allows to relate transient opinion configurations to the electoral performance of candidates for which data are available. The election procedure based on the well-established principle of proximity voting is repeatedly performed during the transient period and remarkable statistical agreement with the empirical data is observed.
On the empirical relevance of the transient in opinion models
International Nuclear Information System (INIS)
Banisch, Sven; Araujo, Tanya
2010-01-01
While the number and variety of models to explain opinion exchange dynamics is huge, attempts to justify the model results using empirical data are relatively rare. As linking to real data is essential for establishing model credibility, this Letter develops an empirical confirmation experiment by which an opinion model is related to real election data. The model is based on a representation of opinions as a vector of k bits. Individuals interact according to the principle that similarity leads to interaction and interaction leads to still more similarity. In the comparison to real data we concentrate on the transient opinion profiles that form during the dynamic process. An artificial election procedure is introduced which allows to relate transient opinion configurations to the electoral performance of candidates for which data are available. The election procedure based on the well-established principle of proximity voting is repeatedly performed during the transient period and remarkable statistical agreement with the empirical data is observed.
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.
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...
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...
Perceived Service Quality models: Are They Still Relevant?
Polyakova, Olga; Mirza, Mohammed T.
2015-01-01
This paper reviews the concept of perceived service quality and provides an update to the body of service quality knowledge. It consolidates the pathway of perceived service quality concept, from its emergence to the research model’s development. It also critically reviews service characteristics as prerequisites of perceived service quality conceptualisation. The examination of six perceived service quality models is intended to identify a superior model that could be used by further researc...
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
Assessing the value relevance of current mandatory business model disclosures
DEFF Research Database (Denmark)
Schaper, Stefan; Nielsen, Christian; Simoni, Lorenzo
the model developed by Ohlson (1995). Our results show no significant association between BM disclosure and share prices. The main reason behind this finding can be associated with the low level of disclosure (i.e. the low number of value drivers disclosed on average) by companies as part of their BM......Recent regulations have introduced the requirement for large companies to disclose information about their business model (BM) in the annual reports. The objective of these disclosures is to allow external users to understand better how companies create, deliver and capture value. This study aims...... reports. Ad-hoc created disclosure indexes are based on the taxonomy of business model (BM) configurations developed by Taran et al. (2016) as well as complemented by a frame of reference based on the nice BM canvas elements from Osterwalder and Pigneur (2010). After the classification of companies...
relevance of information warfare models to critical infrastructure
African Journals Online (AJOL)
ismith
Critical infrastructure models, strategies and policies should take information ... gain an advantage over a competitor or adversary through the use of one's own .... digital communications system, where the vehicles are analogous to bits or packets, ..... performance degraded, causing an increase in traffic finding a new route.
Automatic Relevance Determination for multi-way models
DEFF Research Database (Denmark)
Mørup, Morten; Hansen, Lars Kai
2009-01-01
of components of data within the Tucker and CP structure. For the Tucker and CP model the approach performs better than heuristics such as the Bayesian Information Criterion, Akaikes Information Criterion, DIFFIT and the numerical convex hull (NumConvHull) while operating only at the cost of estimating...... is available for download at www.erpwavelab.org....
The Virtuality Continuum Revisited
Nijholt, Antinus; Traum, D.; Zhai, Sh.; Kellogg, W.
2005-01-01
We survey the themes and the aims of a workshop devoted to the state-of-the-art virtuality continuum. In this continuum, ranging from fully virtual to real physical environments, allowing for mixed, augmented and desktop virtual reality, several perspectives can be taken. Originally, the emphasis
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.
International Nuclear Information System (INIS)
Chijimatsu, Masakazu; Koyama, Tomofumi; Shimizu, Hiroyuki; Nakama, Shigeo; Fujita, Tomoo
2013-01-01
DECOVALEX-2011 is an international cooperation project for enhancing the numerical models of radioactive waste repositories. In DECOVALEX-2011 project, the failure mechanism during excavation and heating processes observed in the Aespoe pillar stability experiment, which was carried out at the Aespoe Hard Rock Laboratory by the Swedish Nuclear Fuel and Waste Management Company, were simulated using Finite Element Method. When the calibrated parameters were used, simulation results agree qualitatively well with the experimental results. Therefore, it can be said that the spalling phenomenon is expressible even by the application with the continuum model by the use of the suitable parameters. (author)
The hamster flank organ model: Is it relevant to man
International Nuclear Information System (INIS)
Franz, T.J.; Lehman, P.A.; Pochi, P.; Odland, G.F.; Olerud, J.
1989-01-01
The critical role that androgens play in the etiology of acne has led to a search for topically active antiandrogens and the frequent use of the flank organ of the golden Syrian hamster as an animal model. 17-alpha-propyltestosterone (17-PT) has been identified as having potent antiandrogenic activity in the hamster model, and this report describes its clinical evaluation. Two double-blind placebo controlled studies comparing 4% 17-PT in 80% alcohol versus vehicle alone were conducted. One study examined 17-PT sebosuppressive activity in 20 subjects. The second study examined its efficacy in 44 subjects having mild to moderate acne. A third study measured in vitro percutaneous absorption of 17-PT through hamster flank and monkey skin, and human face skin in-vivo, using radioactive drug. 17-PT was found to be ineffective in reducing either the sebum excretion rate or the number of inflammatory acne lesions. Failure of 17-PT to show clinical activity was not a result of poor percutaneous absorption. Total absorption in man was 7.7% of the dose and only 1.0% in the hamster. The sebaceous gland of hamster flank organ is apparently more sensitive to antiandrogens than the human sebaceous gland
RF modeling of the ITER-relevant lower hybrid antenna
International Nuclear Information System (INIS)
Hillairet, J.; Ceccuzzi, S.; Belo, J.; Marfisi, L.; Artaud, J.F.; Bae, Y.S.; Berger-By, G.; Bernard, J.M.; Cara, Ph.; Cardinali, A.; Castaldo, C.; Cesario, R.; Decker, J.; Delpech, L.; Ekedahl, A.; Garcia, J.; Garibaldi, P.; Goniche, M.; Guilhem, D.; Hoang, G.T.
2011-01-01
In the frame of the EFDA task HCD-08-03-01, a 5 GHz Lower Hybrid system which should be able to deliver 20 MW CW on ITER and sustain the expected high heat fluxes has been reviewed. The design and overall dimensions of the key RF elements of the launcher and its subsystem has been updated from the 2001 design in collaboration with ITER organization. Modeling of the LH wave propagation and absorption into the plasma shows that the optimal parallel index must be chosen between 1.9 and 2.0 for the ITER steady-state scenario. The present study has been made with n || = 2.0 but can be adapted for n || = 1.9. Individual components have been studied separately giving confidence on the global RF design of the whole antenna.
Continuum-mediated dark matter–baryon scattering
Katz, Andrey; Sajjad, Aqil
2016-01-01
Many models of dark matter scattering with baryons may be treated either as a simple contact interaction or as the exchange of a light mediator particle. We study an alternative, in which a continuum of light mediator states may be exchanged. This could arise, for instance, from coupling to a sector which is approximately conformal at the relevant momentum transfer scale. In the non-relativistic effective theory of dark matter-baryon scattering, which is useful for parametrizing direct detection signals, the effect of such continuum mediators is to multiply the amplitude by a function of the momentum transfer q, which in the simplest case is just a power law. We develop the basic framework and study two examples: the case where the mediator is a scalar operator coupling to the Higgs portal (which turns out to be highly constrained) and the case of an antisymmetric tensor operator ${\\cal O}_{\\mu \
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.
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.
Marianski, Mateusz; Dannenberg, J. J.
2012-01-01
We present density functional theory (DFT) calculations at the X3LYP/D95(d,p) level on the solvation of polyalanine α-helices in water. The study includes the effects of discrete water molecules and the CPCM and AMSOL SM5.2 solvent continuum model both separately and in combination. We find that individual water molecules cooperatively hydrogen-bond to both the C- and N-termini of the helix, which results in increases in the dipole moment of the helix/water complex to more than the vector sum...
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.
Energy Technology Data Exchange (ETDEWEB)
Ge, Hong-Xia [Faculty of Maritime and Transportation, Ningbo University, Ningbo 315211 (China); Lai, Ling-Ling [Faculty of Science, Ningbo University, Ningbo 315211 (China); Zheng, Peng-Jun [Faculty of Maritime and Transportation, Ningbo University, Ningbo 315211 (China); Cheng, Rong-Jun, E-mail: chengrongjun76@126.com [Ningbo Institute of Technology, Zhejiang University, Ningbo 315100 (China)
2013-12-13
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.
Continuum emission from classical nova winds
International Nuclear Information System (INIS)
Harkness, R.P.
1983-01-01
The emergent continuum of a slow classical nova during outburst is considered in the quasi-steady optically thick, transonic wind model. Models are presented for various steady mass loss rates and are related to the evolution of slow novae during decline and early post-maximum. The continuum emission is found to depart radically from a blackbody spectrum and to exhibit features common to highly extended stellar atmospheres. (author)
Computational Continuum Mechanics
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.
The temporal-relevance temporal-uncertainty model of prospective duration judgment.
Zakay, Dan
2015-12-15
A model aimed at explaining prospective duration judgments in real life settings (as well as in the laboratory) is presented. The model is based on the assumption that situational meaning is continuously being extracted by humans' perceptual and cognitive information processing systems. Time is one of the important dimensions of situational meaning. Based on the situational meaning, a value for Temporal Relevance is set. Temporal Relevance reflects the importance of temporal aspects for enabling adaptive behavior in a specific moment in time. When Temporal Relevance is above a certain threshold a prospective duration judgment process is evoked automatically. In addition, a search for relevant temporal information is taking place and its outcomes determine the level of Temporal Uncertainty which reflects the degree of knowledge one has regarding temporal aspects of the task to be performed. The levels of Temporal Relevance and Temporal Uncertainty determine the amount of attentional resources allocated for timing by the executive system. The merit of the model is in connecting timing processes with the ongoing general information processing stream. The model rests on findings in various domains which indicate that cognitive-relevance and self-relevance are powerful determinants of resource allocation policy. The feasibility of the model is demonstrated by analyzing various temporal phenomena. Suggestions for further empirical validation of the model are presented. Copyright © 2015 Elsevier Inc. All rights reserved.
Marianski, Mateusz; Dannenberg, J J
2012-02-02
We present density functional theory (DFT) calculations at the X3LYP/D95(d,p) level on the solvation of polyalanine α-helices in water. The study includes the effects of discrete water molecules and the CPCM and AMSOL SM5.2 solvent continuum model both separately and in combination. We find that individual water molecules cooperatively hydrogen-bond to both the C- and N-termini of the helix, which results in increases in the dipole moment of the helix/water complex to more than the vector sum of their individual dipole moments. These waters are found to be more stable than in bulk solvent. On the other hand, individual water molecules that interact with the backbone lower the dipole moment of the helix/water complex to below that of the helix itself. Small clusters of waters at the termini increase the dipole moments of the helix/water aggregates, but the effect diminishes as more waters are added. We discuss the somewhat complex behavior of the helix with the discrete waters in the continuum models.
A User-Centered Approach to Adaptive Hypertext Based on an Information Relevance Model
Mathe, Nathalie; Chen, James
1994-01-01
Rapid and effective to information in large electronic documentation systems can be facilitated if information relevant in an individual user's content can be automatically supplied to this user. However most of this knowledge on contextual relevance is not found within the contents of documents, it is rather established incrementally by users during information access. We propose a new model for interactively learning contextual relevance during information retrieval, and incrementally adapting retrieved information to individual user profiles. The model, called a relevance network, records the relevance of references based on user feedback for specific queries and user profiles. It also generalizes such knowledge to later derive relevant references for similar queries and profiles. The relevance network lets users filter information by context of relevance. Compared to other approaches, it does not require any prior knowledge nor training. More importantly, our approach to adaptivity is user-centered. It facilitates acceptance and understanding by users by giving them shared control over the adaptation without disturbing their primary task. Users easily control when to adapt and when to use the adapted system. Lastly, the model is independent of the particular application used to access information, and supports sharing of adaptations among users.
Present status on atomic and molecular data relevant to fusion plasma diagnostics and modeling
International Nuclear Information System (INIS)
Tawara, H.
1997-01-01
This issue is the collection of the paper presented status on atomic and molecular data relevant to fusion plasma diagnostics and modeling. The 10 of the presented papers are indexed individually. (J.P.N.)
Valentin, J; Sprenger, M; Pflüger, D; Röhrle, O
2018-05-01
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 used. Albeit some severe modeling assumptions, almost all existing musculoskeletal system simulations appeal to multibody simulation frameworks. Although continuum-mechanical musculoskeletal system models can compensate for some of these limitations, they are essentially not considered because of 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 3-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 2-muscle system, it can easily be extended to musculoskeletal systems with 3 or more muscles. Copyright © 2018 John Wiley & Sons, Ltd.
Highly Relevant Mentoring (HRM) as a Faculty Development Model for Web-Based Instruction
Carter, Lorraine; Salyers, Vincent; Page, Aroha; Williams, Lynda; Albl, Liz; Hofsink, Clarence
2012-01-01
This paper describes a faculty development model called the highly relevant mentoring (HRM) model; the model includes a framework as well as some practical strategies for meeting the professional development needs of faculty who teach web-based courses. The paper further emphasizes the need for faculty and administrative buy-in for HRM and…
Zee, van der F.A.
1997-01-01
This study explores the relevance and applicability of political economy models for the explanation of agricultural policies. Part I (chapters 4-7) takes a general perspective and evaluates the empirical applicability of voting models and interest group models to agricultural policy
Geometric continuum regularization of quantum field theory
International Nuclear Information System (INIS)
Halpern, M.B.
1989-01-01
An overview of the continuum regularization program is given. The program is traced from its roots in stochastic quantization, with emphasis on the examples of regularized gauge theory, the regularized general nonlinear sigma model and regularized quantum gravity. In its coordinate-invariant form, the regularization is seen as entirely geometric: only the supermetric on field deformations is regularized, and the prescription provides universal nonperturbative invariant continuum regularization across all quantum field theory. 54 refs
Mittal, Chikul; Lee, Hsien Chieh Daniel; Goh, Kiat Sern; Lau, Cheng Kiang Adrian; Tay, Leeanna; Siau, Chuin; Loh, Yik Hin; Goh, Teck Kheng Edward; Sandi, Chit Lwin; Lee, Chien Earn
2018-05-30
To test a population health program which could, through the application of process redesign, implement multiple evidence-based practices across the continuum of care in a functionally integrated health delivery system and deliver highly reliable and consistent evidence-based surgical care for patients with fragility hip fractures in an acute tertiary general hospital. The ValuedCare (VC) program was developed in three distinct phases as an ongoing collaboration between the Geisinger Health System (GHS), USA, and Changi General Hospital (CGH), Singapore, modelled after the GHS ProvenCare® Fragile Hip Fracture Program. Clinical outcome data on consecutive hip fracture patients seen in 12 months pre-intervention were then compared with the post-intervention group. Both pre- and post-intervention groups were followed up across the continuum of care for a period of 12 months. VC patients showed significant improvement in median time to surgery (97 to 50.5 h), as well as proportion of patients operated within 48 h from hospital admission (48% from 18.8%) as compared to baseline pre-intervention data. These patients also had significant reduction (p value based care for hip fracture patients at Changi General Hospital. This has also reflected successful change management and interdisciplinary collaboration within the organization through the program. There is potential for testing this methodology as a quality improvement framework replicable to other disease groups in a functionally integrated healthcare system.
International Nuclear Information System (INIS)
Stein, W.A.
1991-01-01
Models for producing the large ultraviolet bump, low-energy X-rays and the hypothesized F(nu) varies as the inverse of nu IR to X-ray continua of QSOs are investigated. Thermal Comptonization in a hot corona of an accretion disk appears to offer the best potential. However, under the energy input conditions in QSOs a corona will reach T above 100 million K. It must be optically thin, so as to not Comptonize the accretion disk ultraviolet emission to an unacceptable extent. However, it then cannot Comptonize a low-frequency source to an F(nu) varies as the inverse of nu continuum extending from the infrared to X-rays. An inner corona, possibly optically thick because of n varies as the sq rt of r density increase, is required for the F(nu) varies as the inverse of nu continuum, but it cannot therefore cover the UV-emitting accretion disk. However, then a Wien peak associated with this inner volume may be implied at 10 keV, contrary to observations. 42 refs
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.
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.
Introduction to continuum mechanics
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
Fundamentals of continuum mechanics
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
The relevance of non-human primate and rodent malaria models for humans
Langhorne, Jean; Buffet, Pierre; Galinski, Mary; Good, Michael; Harty, John; Leroy, Didier; Mota, Maria M; Pasini, Erica; Renia, Laurent; Riley, Eleanor; Stins, Monique; Duffy, Patrick
2011-01-01
Abstract At the 2010 Keystone Symposium on "Malaria: new approaches to understanding Host-Parasite interactions", an extra scientific session to discuss animal models in malaria research was convened at the request of participants. This was prompted by the concern of investigators that skepticism in the malaria community about the use and relevance of animal models, particularly rodent models of severe malaria, has impacted on funding decisions and publication of research using animal models....
Zee, van der, F.A.
1997-01-01
This study explores the relevance and applicability of political economy models for the explanation of agricultural policies. Part I (chapters 4-7) takes a general perspective and evaluates the empirical applicability of voting models and interest group models to agricultural policy formation in industrialised market economics. Part II (chapters 8-11) focuses on the empirical applicability of political economy models to agricultural policy formation and agricultural policy developmen...
Thomas E. Dilts; Peter J. Weisberg; Camie M. Dencker; Jeanne C. Chambers
2015-01-01
We have three goals. (1) To develop a suite of functionally relevant climate variables for modelling vegetation distribution on arid and semi-arid landscapes of the Great Basin, USA. (2) To compare the predictive power of vegetation distribution models based on mechanistically proximate factors (water deficit variables) and factors that are more mechanistically removed...
Towards Increased Relevance: Context-Adapted Models of the Learning Organization
Örtenblad, Anders
2015-01-01
Purpose: The purposes of this paper are to take a closer look at the relevance of the idea of the learning organization for organizations in different generalized organizational contexts; to open up for the existence of multiple, context-adapted models of the learning organization; and to suggest a number of such models.…
Control-relevant modeling and simulation of a SOFC-GT hybrid system
Directory of Open Access Journals (Sweden)
Rambabu Kandepu
2006-07-01
Full Text Available In this paper, control-relevant models of the most important components in a SOFC-GT hybrid system are described. Dynamic simulations are performed on the overall hybrid system. The model is used to develop a simple control structure, but the simulations show that more elaborate control is needed.
Control-relevant modeling and simulation of a SOFC-GT hybrid system
Rambabu Kandepu; Lars Imsland; Christoph Stiller; Bjarne A. Foss; Vinay Kariwala
2006-01-01
In this paper, control-relevant models of the most important components in a SOFC-GT hybrid system are described. Dynamic simulations are performed on the overall hybrid system. The model is used to develop a simple control structure, but the simulations show that more elaborate control is needed.
Munoz-Carpena, R.; Muller, S. J.; Chu, M.; Kiker, G. A.; Perz, S. G.
2014-12-01
Model Model complexity resulting from the need to integrate environmental system components cannot be understated. In particular, additional emphasis is urgently needed on rational approaches to guide decision making through uncertainties surrounding the integrated system across decision-relevant scales. However, in spite of the difficulties that the consideration of modeling uncertainty represent for the decision process, it should not be avoided or the value and science behind the models will be undermined. These two issues; i.e., the need for coupled models that can answer the pertinent questions and the need for models that do so with sufficient certainty, are the key indicators of a model's relevance. Model relevance is inextricably linked with model complexity. Although model complexity has advanced greatly in recent years there has been little work to rigorously characterize the threshold of relevance in integrated and complex models. Formally assessing the relevance of the model in the face of increasing complexity would be valuable because there is growing unease among developers and users of complex models about the cumulative effects of various sources of uncertainty on model outputs. In particular, this issue has prompted doubt over whether the considerable effort going into further elaborating complex models will in fact yield the expected payback. New approaches have been proposed recently to evaluate the uncertainty-complexity-relevance modeling trilemma (Muller, Muñoz-Carpena and Kiker, 2011) by incorporating state-of-the-art global sensitivity and uncertainty analysis (GSA/UA) in every step of the model development so as to quantify not only the uncertainty introduced by the addition of new environmental components, but the effect that these new components have over existing components (interactions, non-linear responses). Outputs from the analysis can also be used to quantify system resilience (stability, alternative states, thresholds or tipping
Başar, Erol; Düzgün, Aysel
2016-05-01
The aim of this study is threefold: (1) we propose a new framework describing the neurophysiologic functioning and cognitive processing of neural populations, and we extend the neuron doctrine to the physiology of neural assemblies. (2) The extension from neurons to neural populations implies that the brain, with its connectivity, should be considered a working syncytium, which extends Brodmann mapping to the CLAIR model, which includes oscillatory components and their connectivity. (3) In such a working syncytium, a new description of "memory" is needed in the broad time-space continuum, which embraces all memory states. This will be called "hypermemory." Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.
International Nuclear Information System (INIS)
Fukuda, Ryoichi; Ehara, Masahiro
2015-01-01
The effects from solvent environment are specific to the electronic states; therefore, a computational scheme for solvent effects consistent with the electronic states is necessary to discuss electronic excitation of molecules in solution. The PCM (polarizable continuum model) SAC (symmetry-adapted cluster) and SAC-CI (configuration interaction) methods are developed for such purposes. The PCM SAC-CI adopts the state-specific (SS) solvation scheme where solvent effects are self-consistently considered for every ground and excited states. For efficient computations of many excited states, we develop a perturbative approximation for the PCM SAC-CI method, which is called corrected linear response (cLR) scheme. Our test calculations show that the cLR PCM SAC-CI is a very good approximation of the SS PCM SAC-CI method for polar and nonpolar solvents
Liu, Richard T; Burke, Taylor A; Abramson, Lyn Y; Alloy, Lauren B
2017-11-04
Behavioral Approach System (BAS) sensitivity has been implicated in the development of a variety of different psychiatric disorders. Prominent among these in the empirical literature are bipolar spectrum disorders (BSDs). Given that adolescence represents a critical developmental stage of risk for the onset of BSDs, it is important to clarify the latent structure of BAS sensitivity in this period of development. A statistical approach especially well-suited for delineating the latent structure of BAS sensitivity is taxometric analysis, which is designed to evaluate whether the latent structure of a construct is taxonic (i.e., categorical) or dimensional (i.e., continuous) in nature. The current study applied three mathematically non-redundant taxometric procedures (i.e., MAMBAC, MAXEIG, and L-Mode) to a large community sample of adolescents (n = 12,494) who completed two separate measures of BAS sensitivity: the BIS/BAS Scales Carver and White (Journal of Personality and Social Psychology, 67, 319-333. 1994) and the Sensitivity to Reward and Sensitivity to Punishment Questionnaire (Torrubia et al. Personality and Individual Differences, 31, 837-862. 2001). Given the significant developmental changes in reward sensitivity that occur across adolescence, the current investigation aimed to provide a fine-grained evaluation of the data by performing taxometric analyses at an age-by-age level (14-19 years; n for each age ≥ 883). Results derived from taxometric procedures, across all ages tested, were highly consistent, providing strong evidence that BAS sensitivity is best conceptualized as dimensional in nature. Thus, the findings suggest that BAS-related vulnerability to BSDs exists along a continuum of severity, with no natural cut-point qualitatively differentiating high- and low-risk adolescents. Clinical and research implications for the assessment of BSD-related vulnerability are discussed.
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.
Continuum theory for nanotube piezoelectricity.
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.
The LAILAPS search engine: a feature model for relevance ranking in life science databases.
Lange, Matthias; Spies, Karl; Colmsee, Christian; Flemming, Steffen; Klapperstück, Matthias; Scholz, Uwe
2010-03-25
Efficient and effective information retrieval in life sciences is one of the most pressing challenge in bioinformatics. The incredible growth of life science databases to a vast network of interconnected information systems is to the same extent a big challenge and a great chance for life science research. The knowledge found in the Web, in particular in life-science databases, are a valuable major resource. In order to bring it to the scientist desktop, it is essential to have well performing search engines. Thereby, not the response time nor the number of results is important. The most crucial factor for millions of query results is the relevance ranking. In this paper, we present a feature model for relevance ranking in life science databases and its implementation in the LAILAPS search engine. Motivated by the observation of user behavior during their inspection of search engine result, we condensed a set of 9 relevance discriminating features. These features are intuitively used by scientists, who briefly screen database entries for potential relevance. The features are both sufficient to estimate the potential relevance, and efficiently quantifiable. The derivation of a relevance prediction function that computes the relevance from this features constitutes a regression problem. To solve this problem, we used artificial neural networks that have been trained with a reference set of relevant database entries for 19 protein queries. Supporting a flexible text index and a simple data import format, this concepts are implemented in the LAILAPS search engine. It can easily be used both as search engine for comprehensive integrated life science databases and for small in-house project databases. LAILAPS is publicly available for SWISSPROT data at http://lailaps.ipk-gatersleben.de.
On Feature Relevance in Image-Based Prediction Models: An Empirical Study
DEFF Research Database (Denmark)
Konukoglu, E.; Ganz, Melanie; Van Leemput, Koen
2013-01-01
Determining disease-related variations of the anatomy and function is an important step in better understanding diseases and developing early diagnostic systems. In particular, image-based multivariate prediction models and the “relevant features” they produce are attracting attention from the co...
Stem cell therapy for joint problems using the horse as a clinically relevant animal model
DEFF Research Database (Denmark)
Koch, Thomas Gadegaard; Betts, Dean H.
2007-01-01
of experimentally induced lesions. The horse lends itself as a good animal model of spontaneous joint disorders that are clinically relevant to similar human disorders. Equine stem cell and tissue engineering studies may be financially feasible to principal investigators and small biotechnology companies...
Nonlocal continuum field theories
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...
Continuum mechanics for engineers
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...
Experimental Models of Vaginal Candidiasis and Their Relevance to Human Candidiasis
Sobel, Jack D.
2016-01-01
Vulvovaginal candidiasis (VVC) is a high-incidence disease seriously affecting the quality of life of women worldwide, particularly in its chronic, recurrent forms (RVVC), and with no definitive cure or preventive measure. Experimental studies in currently used rat and mouse models of vaginal candidiasis have generated a large mass of data on pathogenicity determinants and inflammation and immune responses of potential importance for the control of human pathology. However, reflection is necessary about the relevance of these rodent models to RVVC. Here we examine the chemical, biochemical, and biological factors that determine or contrast the forms of the disease in rodent models and in women and highlight the differences between them. We also appeal for approaches to improve or replace the current models in order to enhance their relevance to human infection. PMID:26883592
Reich, Felix Alexander
2017-01-01
In the literature, many models of electromagnetic momentum are proposed. Each model implies a form of the electromagnetic force density, which acts as a source in the mechanical momentum balance. The debate as to which model of the electromagnetic force is "correct" for arbitrary materials and processes is ongoing. Most authors argue in favor or against specific models by virtue of thought experiments, e.g, with light waves. The topic of this work is to show that experiments conducted on a ma...
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.
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
Genetic mouse models relevant to schizophrenia: taking stock and looking forward.
Harrison, Paul J; Pritchett, David; Stumpenhorst, Katharina; Betts, Jill F; Nissen, Wiebke; Schweimer, Judith; Lane, Tracy; Burnet, Philip W J; Lamsa, Karri P; Sharp, Trevor; Bannerman, David M; Tunbridge, Elizabeth M
2012-03-01
Genetic mouse models relevant to schizophrenia complement, and have to a large extent supplanted, pharmacological and lesion-based rat models. The main attraction is that they potentially have greater construct validity; however, they share the fundamental limitations of all animal models of psychiatric disorder, and must also be viewed in the context of the uncertain and complex genetic architecture of psychosis. Some of the key issues, including the choice of gene to target, the manner of its manipulation, gene-gene and gene-environment interactions, and phenotypic characterization, are briefly considered in this commentary, illustrated by the relevant papers reported in this special issue. Copyright © 2011 Elsevier Ltd. All rights reserved.
Understanding the shock and detonation response of high explosives at the continuum and meso scales
Handley, C. A.; Lambourn, B. D.; Whitworth, N. J.; James, H. R.; Belfield, W. J.
2018-03-01
The shock and detonation response of high explosives has been an active research topic for more than a century. In recent years, high quality data from experiments using embedded gauges and other diagnostic techniques have inspired the development of a range of new high-fidelity computer models for explosives. The experiments and models have led to new insights, both at the continuum scale applicable to most shock and detonation experiments, and at the mesoscale relevant to hotspots and burning within explosive microstructures. This article reviews the continuum and mesoscale models, and their application to explosive phenomena, gaining insights to aid future model development and improved understanding of the physics of shock initiation and detonation propagation. In particular, it is argued that "desensitization" and the effect of porosity on high explosives can both be explained by the combined effect of thermodynamics and hydrodynamics, rather than the traditional hotspot-based explanations linked to pressure-dependent reaction rates.
Gong, Yongmei; Zwinger, Thomas; Åström, Jan; Gladstone, Rupert; Schellenberger, Thomas; Altena, Bas; Moore, John
2017-04-01
The outlet glacier at Basin 3, Austfonna ice-cap entered its active surge phase in autumn 2012. We assess the evolution of the basal friction during the surge through inverse modelling of basal friction coefficients using recent velocity observation from 2012 to 2014 in a continuum ice dynamic model Elmer/ice. The obtained basal friction coefficient distributions at different time instances are further used as a boundary condition in a discrete element model (HiDEM) that is capable of computing fracturing of ice. The inverted basal friction coefficient evolution shows a gradual 'unplugging' of the stagnant frontal area and northwards and inland expansion of the fast flowing region in the southern basin. The validation between the modeled crevasses distribution and the satellite observation in August 2013 shows a good agreement in shear zones inland and at the frontal area. Crevasse distributions of the summer before and after the glacier reached its maximum velocity in January 2013 (August 2012 and August 2014, respectively) are also evaluated. Previous studies suggest the triggering and development of the surge are linked to surface melt water penetrating through ice to form an efficient basal hydrology system thereby triggering a hydro- thermodynamic feedback. This preliminary offline coupling between a continuum ice dynamic model and a discrete element model will give a hint on future model development of linking supra-glacial to sub-glacial hydrology system.
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.
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.
Forbes, Valery E; Calow, Peter
2013-07-01
Ecological risk assessments (ERAs) are not used as well as they could be in risk management. Part of the problem is that they often lack ecological relevance; that is, they fail to grasp necessary ecological complexities. Adding realism and complexity can be difficult and costly. We argue that predictive systems models (PSMs) can provide a way of capturing complexity and ecological relevance cost-effectively. However, addressing complexity and ecological relevance is only part of the problem. Ecological risk assessments often fail to meet the needs of risk managers by not providing assessments that relate to protection goals and by expressing risk in ratios that cannot be weighed against the costs of interventions. Once more, PSMs can be designed to provide outputs in terms of value-relevant effects that are modulated against exposure and that can provide a better basis for decision making than arbitrary ratios or threshold values. Recent developments in the modeling and its potential for implementation by risk assessors and risk managers are beginning to demonstrate how PSMs can be practically applied in risk assessment and the advantages that doing so could have. Copyright © 2013 SETAC.
Intertwining personal and reward relevance: evidence from the drift-diffusion model.
Yankouskaya, A; Bührle, R; Lugt, E; Stolte, M; Sui, J
2018-01-24
In their seminal paper 'Is our self nothing but reward', Northoff and Hayes (Biol Psychiatry 69(11):1019-1025, Northoff, Hayes, Biological Psychiatry 69(11):1019-1025, 2011) proposed three models of the relationship between self and reward and opened a continuing debate about how these different fields can be linked. To date, none of the proposed models received strong empirical support. The present study tested common and distinct effects of personal relevance and reward values by de-componenting different stages of perceptual decision making using a drift-diffusion approach. We employed a recently developed associative matching paradigm where participants (N = 40) formed mental associations between five geometric shapes and five labels referring personal relevance in the personal task, or five shape-label pairings with different reward values in the reward task and then performed a matching task by indicating whether a displayed shape-label pairing was correct or incorrect. We found that common effects of personal relevance and monetary reward were manifested in the facilitation of behavioural performance for high personal relevance and high reward value as socially important signals. The differential effects between personal and monetary relevance reflected non-decisional time in a perceptual decision process, and task-specific prioritization of stimuli. Our findings support the parallel processing model (Northoff & Hayes, Biol Psychiatry 69(11):1019-1025, Northoff, Hayes, Biological Psychiatry 69(11):1019-1025, 2011) and suggest that self-specific processing occurs in parallel with high reward processing. Limitations and further directions are discussed.
The relevance of non-human primate and rodent malaria models for humans
Directory of Open Access Journals (Sweden)
Riley Eleanor
2011-02-01
Full Text Available Abstract At the 2010 Keystone Symposium on "Malaria: new approaches to understanding Host-Parasite interactions", an extra scientific session to discuss animal models in malaria research was convened at the request of participants. This was prompted by the concern of investigators that skepticism in the malaria community about the use and relevance of animal models, particularly rodent models of severe malaria, has impacted on funding decisions and publication of research using animal models. Several speakers took the opportunity to demonstrate the similarities between findings in rodent models and human severe disease, as well as points of difference. The variety of malaria presentations in the different experimental models parallels the wide diversity of human malaria disease and, therefore, might be viewed as a strength. Many of the key features of human malaria can be replicated in a variety of nonhuman primate models, which are very under-utilized. The importance of animal models in the discovery of new anti-malarial drugs was emphasized. The major conclusions of the session were that experimental and human studies should be more closely linked so that they inform each other, and that there should be wider access to relevant clinical material.
Elbanna, A. E.
2015-12-01
The brittle portion of the crust contains structural features such as faults, jogs, joints, bends and cataclastic zones that span a wide range of length scales. These features may have a profound effect on earthquake nucleation, propagation and arrest. Incorporating these existing features in modeling and the ability to spontaneously generate new one in response to earthquake loading is crucial for predicting seismicity patterns, distribution of aftershocks and nucleation sites, earthquakes arrest mechanisms, and topological changes in the seismogenic zone structure. Here, we report on our efforts in modeling two important mechanisms contributing to the evolution of fault zone topology: (1) Grain comminution at the submeter scale, and (2) Secondary faulting/plasticity at the scale of few to hundreds of meters. We use the finite element software Abaqus to model the dynamic rupture. The constitutive response of the fault zone is modeled using the Shear Transformation Zone theory, a non-equilibrium statistical thermodynamic framework for modeling plastic deformation and localization in amorphous materials such as fault gouge. The gouge layer is modeled as 2D plane strain region with a finite thickness and heterogeenous distribution of porosity. By coupling the amorphous gouge with the surrounding elastic bulk, the model introduces a set of novel features that go beyond the state of the art. These include: (1) self-consistent rate dependent plasticity with a physically-motivated set of internal variables, (2) non-locality that alleviates mesh dependence of shear band formation, (3) spontaneous evolution of fault roughness and its strike which affects ground motion generation and the local stress fields, and (4) spontaneous evolution of grain size and fault zone fabric.
Modesto-Costa, Lucas; Borges, Itamar
2018-08-05
The 4-N,N-dimethylaminobenzonitrile (DMABN) molecule is a prototypical system displaying twisted intramolecular (TICT) charge transfer effects. The ground and the first four electronic excited states (S 1 -S 4 ) in gas phase and upon solvation were studied. Charge transfer values as function of the torsion angle between the donor group (dimethylamine) and the acceptor moiety (benzonitrile) were explicitly computed. Potential energy curves were also obtained. The algebraic diagrammatic construction method at the second-order [ADC(2)] ab initio wave function was employed. Three solvents of increased polarities (benzene, DMSO and water) were investigated using discrete (average solvent electrostatic configuration - ASEC) and continuum (conductor-like screening model - COSMO) models. The results for the S 3 and S 4 excited states and the S 1 -S 4 charge transfer curves were not previously available in the literature. Electronic gas phase and solvent vertical spectra are in good agreement with previous theoretical and experimental results. In the twisted (90°) geometry the optical oscillator strengths have negligible values even for the S 2 bright state. Potential energy curves show two distinct pairs of curves intersecting at decreasing angles or not crossing in the more polar solvents. Charge transfer and electric dipole values allowed the rationalization of these results. The former effects are mostly independent of the solvent model and polarity. Although COSMO and ASEC solvent models mostly lead to similar results, there is an important difference: some crossings of the excitation energy curves appear only in the ASEC solvation model, which has important implications to the photochemistry of DMABN. Copyright © 2018 Elsevier B.V. All rights reserved.
Introduction to continuum mechanics
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
Model Predictive Engine Air-Ratio Control Using Online Sequential Relevance Vector Machine
Directory of Open Access Journals (Sweden)
Hang-cheong Wong
2012-01-01
Full Text Available Engine power, brake-specific fuel consumption, and emissions relate closely to air ratio (i.e., lambda among all the engine variables. An accurate and adaptive model for lambda prediction is essential to effective lambda control for long term. This paper utilizes an emerging technique, relevance vector machine (RVM, to build a reliable time-dependent lambda model which can be continually updated whenever a sample is added to, or removed from, the estimated lambda model. The paper also presents a new model predictive control (MPC algorithm for air-ratio regulation based on RVM. This study shows that the accuracy, training, and updating time of the RVM model are superior to the latest modelling methods, such as diagonal recurrent neural network (DRNN and decremental least-squares support vector machine (DLSSVM. Moreover, the control algorithm has been implemented on a real car to test. Experimental results reveal that the control performance of the proposed relevance vector machine model predictive controller (RVMMPC is also superior to DRNNMPC, support vector machine-based MPC, and conventional proportional-integral (PI controller in production cars. Therefore, the proposed RVMMPC is a promising scheme to replace conventional PI controller for engine air-ratio control.
Duddu, Ravindra; Chopp, David L.; Moran, Brian
2009-01-01
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
Symposium on Continuum Models and Discrete Systems (6th) Held in Dijon, France on June 26 - 29, 1989
1986-01-01
France), the Symposium is organized with the financial aid of. CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE, (Odpartement des Sciences Physiques pour...University of :-oznaa, instituite of Building Structures, Iroznan, ioland Phenomenological models of the creep damage and creep rupture of solids are
Varady, Mark; Bringuier, Stefan; Pearl, Thomas; Stevenson, Shawn; Mantooth, Brent
Decontamination of polymers exposed to chemical warfare agents (CWA) often proceeds by application of a liquid solution. Absorption of some decontaminant components proceed concurrently with extraction of the CWA, resulting in multicomponent diffusion in the polymer. In this work, the Maxwell-Stefan equations were used with the Flory-Huggins model of species activity to mathematically describe the transport of two species within a polymer. This model was used to predict the extraction of the nerve agent O-ethyl S-[2(diisopropylamino)ethyl] methylphosphonothioate (VX) from a silicone elastomer into both water and methanol. Comparisons with experimental results show good agreement with minimal fitting of model parameters from pure component uptake data. Reaction of the extracted VX with sodium hydroxide in the liquid-phase was also modeled and used to predict the overall rate of destruction of VX. Although the reaction proceeds more slowly in the methanol-based solution compared to the aqueous solution, the extraction rate is faster due to increasing VX mobility as methanol absorbs into the silicone, resulting in an overall faster rate of VX destruction.
Energy Technology Data Exchange (ETDEWEB)
Archer, Daniel E. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Hornback, Donald Eric [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Johnson, Jeffrey O. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Nicholson, Andrew D. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Patton, Bruce W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Peplow, Douglas E. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Miller, Thomas Martin [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Ayaz-Maierhafer, Birsen [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
2015-01-01
This report summarizes the findings of a two year effort to systematically assess neutron and gamma backgrounds relevant to operational modeling and detection technology implementation. The first year effort focused on reviewing the origins of background sources and their impact on measured rates in operational scenarios of interest. The second year has focused on the assessment of detector and algorithm performance as they pertain to operational requirements against the various background sources and background levels.
Defining and testing a granular continuum element
Energy Technology Data Exchange (ETDEWEB)
Rycroft, Chris H.; Kamrin, Ken; Bazant, Martin Z.
2007-12-03
Continuum mechanics relies on the fundamental notion of amesoscopic volume "element" in which properties averaged over discreteparticles obey deterministic relationships. Recent work on granularmaterials suggests a continuum law may be inapplicable, revealinginhomogeneities at the particle level, such as force chains and slow cagebreaking. Here, we analyze large-scale Discrete-Element Method (DEM)simulations of different granular flows and show that a "granularelement" can indeed be defined at the scale of dynamical correlations,roughly three to five particle diameters. Its rheology is rather subtle,combining liquid-like dependence on deformation rate and solid-likedependence on strain. Our results confirm some aspects of classicalplasticity theory (e.g., coaxiality of stress and deformation rate),while contradicting others (i.e., incipient yield), and can guide thedevelopment of more realistic continuum models.
Romero, Eduardo E; Hernandez, Florencio E
2018-01-03
Herein we present our results on the study of the double proton transfer (DPT) mechanism in the adenine-thymine (AT) and guanine-cytosine (GC) base pairs, both in gas phase and in solution. The latter was modeled using the polarizable continuum method (PCM) in different solvents. According to our DFT calculations, the DPT may occur for both complexes in a stepwise mechanism in condensate phase. In gas phase only the GC base pair exhibits a concerted DPT mechanism. Using the Wigner's tunneling corrections to the transition state theory we demonstrate that such corrections are important for the prediction of the rate constants of both systems in gas and in condensate phase. We also show that (i) as the polarity of the medium decreases the equilibrium constant of the DPT reaction increases in both complexes, and (ii) that the equilibrium constant in the GC complex is four orders of magnitude larger than in AT. This observation suggests that the spontaneous mutations in DNA base pairs are more probable in GC than in AT.
Yu, Xue-Fang; Yamazaki, Shohei; Taketsugu, Tetsuya
2017-08-30
Solvent effects on the excited-state double proton transfer (ESDPT) mechanism in the 7-azaindole (7AI) dimer were investigated using the time-dependent density functional theory (TDDFT) method. Excited-state potential energy profiles along the reaction paths in a locally excited (LE) state and a charge transfer (CT) state were calculated using the polarizable continuum model (PCM) to include the solvent effect. A series of non-polar and polar solvents with different dielectric constants were used to examine the polarity effect on the ESDPT mechanism. The present results suggest that in a non-polar solvent and a polar solvent with a small dielectric constant, ESDPT follows a concerted mechanism, similar to the case in the gas phase. In a polar solvent with a relatively large dielectric constant, however, ESDPT is likely to follow a stepwise mechanism via a stable zwitterionic intermediate in the LE state on the adiabatic potential energy surface, although inclusion of zero-point vibrational energy (ZPE) corrections again suggests the concerted mechanism. In the meantime, the stepwise reaction path involving the CT state with neutral intermediates is also examined, and is found to be less competitive than the concerted or stepwise path in the LE state in both non-polar and polar solvents. The present study provides a new insight into the experimental controversy of the ESDPT mechanism of the 7AI dimer in a solution.
Continuum Thinking and the Contexts of Personal Information Management
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…
You, Bei; Bursa, Michal; Życki, Piotr T.
2018-05-01
We develop a Monte Carlo code to compute the Compton-scattered X-ray flux arising from a hot inner flow that undergoes Lense–Thirring precession. The hot flow intercepts seed photons from an outer truncated thin disk. A fraction of the Comptonized photons will illuminate the disk, and the reflected/reprocessed photons will contribute to the observed spectrum. The total spectrum, including disk thermal emission, hot flow Comptonization, and disk reflection, is modeled within the framework of general relativity, taking light bending and gravitational redshift into account. The simulations are performed in the context of the Lense–Thirring precession model for the low-frequency quasi-periodic oscillations, so the inner flow is assumed to precess, leading to periodic modulation of the emitted radiation. In this work, we concentrate on the energy-dependent X-ray variability of the model and, in particular, on the evolution of the variability during the spectral transition from hard to soft state, which is implemented by the decrease of the truncation radius of the outer disk toward the innermost stable circular orbit. In the hard state, where the Comptonizing flow is geometrically thick, the Comptonization is weakly variable with a fractional variability amplitude of ≤10% in the soft state, where the Comptonizing flow is cooled down and thus becomes geometrically thin, the fractional variability of the Comptonization is highly variable, increasing with photon energy. The fractional variability of the reflection increases with energy, and the reflection emission for low spin is counterintuitively more variable than the one for high spin.
Bergeron, Kim; Abdi, Samiya; DeCorby, Kara; Mensah, Gloria; Rempel, Benjamin; Manson, Heather
2017-11-28
There is limited research on capacity building interventions that include theoretical foundations. The purpose of this systematic review is to identify underlying theories, models and frameworks used to support capacity building interventions relevant to public health practice. The aim is to inform and improve capacity building practices and services offered by public health organizations. Four search strategies were used: 1) electronic database searching; 2) reference lists of included papers; 3) key informant consultation; and 4) grey literature searching. Inclusion and exclusion criteria are outlined with included papers focusing on capacity building, learning plans, professional development plans in combination with tools, resources, processes, procedures, steps, model, framework, guideline, described in a public health or healthcare setting, or non-government, government, or community organizations as they relate to healthcare, and explicitly or implicitly mention a theory, model and/or framework that grounds the type of capacity building approach developed. Quality assessment were performed on all included articles. Data analysis included a process for synthesizing, analyzing and presenting descriptive summaries, categorizing theoretical foundations according to which theory, model and/or framework was used and whether or not the theory, model or framework was implied or explicitly identified. Nineteen articles were included in this review. A total of 28 theories, models and frameworks were identified. Of this number, two theories (Diffusion of Innovations and Transformational Learning), two models (Ecological and Interactive Systems Framework for Dissemination and Implementation) and one framework (Bloom's Taxonomy of Learning) were identified as the most frequently cited. This review identifies specific theories, models and frameworks to support capacity building interventions relevant to public health organizations. It provides public health practitioners
Matthew P. Adams; Catherine J. Collier; Sven Uthicke; Yan X. Ow; Lucas Langlois; Katherine R. O’Brien
2017-01-01
When several models can describe a biological process, the equation that best fits the data is typically considered the best. However, models are most useful when they also possess biologically-meaningful parameters. In particular, model parameters should be stable, physically interpretable, and transferable to other contexts, e.g. for direct indication of system state, or usage in other model types. As an example of implementing these recommended requirements for model parameters, we evaluat...
Two-Phase Acto-Cytosolic Fluid Flow in a Moving Keratocyte: A 2D Continuum Model.
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.
Scaling versus asymptotic scaling in the non-linear σ-model in 2D. Continuum version
International Nuclear Information System (INIS)
Flyvbjerg, H.
1990-01-01
The two-point function of the O(N)-symmetric non-linear σ-model in two dimensions is large-N expanded and renormalized, neglecting terms of O(1/N 2 ). At finite cut-off, universal, analytical expressions relate the magnetic susceptibility and the dressed mass to the bare coupling. Removing the cut-off, a similar relation gives the renormalized coupling as a function of the mass gap. In the weak-coupling limit these relations reproduce the results of renormalization group improved weak-coupling perturbation theory to two-loop order. The constant left unknown, when the renormalization group is integrated, is determined here. The approach to asymptotic scaling is studied for various values of N. (orig.)
Family influences on mania-relevant cognitions and beliefs: a cognitive model of mania and reward.
Chen, Stephen H; Johnson, Sheri L
2012-07-01
The present study proposed and tested a cognitive model of mania and reward. Undergraduates (N = 284; 68.4% female; mean age = 20.99 years, standard deviation ± 3.37) completed measures of family goal setting and achievement values, personal reward-related beliefs, cognitive symptoms of mania, and risk for mania. Correlational analyses and structural equation modeling supported two distinct, but related facets of mania-relevant cognition: stably present reward-related beliefs and state-dependent cognitive symptoms in response to success and positive emotion. Results also indicated that family emphasis on achievement and highly ambitious extrinsic goals were associated with these mania-relevant cognitions. Finally, controlling for other factors, cognitive symptoms in response to success and positive emotion were uniquely associated with lifetime propensity towards mania symptoms. Results support the merit of distinguishing between facets of mania-relevant cognition and the importance of the family in shaping both aspects of cognition. © 2012 Wiley Periodicals, Inc.
Steinmann, Paul
2015-01-01
This book illustrates the deep roots of the geometrically nonlinear kinematics of generalized continuum mechanics in differential geometry. Besides applications to first- order elasticity and elasto-plasticity an appreciation thereof is particularly illuminating for generalized models of continuum mechanics such as second-order (gradient-type) elasticity and elasto-plasticity. After a motivation that arises from considering geometrically linear first- and second- order crystal plasticity in Part I several concepts from differential geometry, relevant for what follows, such as connection, parallel transport, torsion, curvature, and metric for holonomic and anholonomic coordinate transformations are reiterated in Part II. Then, in Part III, the kinematics of geometrically nonlinear continuum mechanics are considered. There various concepts of differential geometry, in particular aspects related to compatibility, are generically applied to the kinematics of first- and second- order geometrically nonlinear con...
Yau, Christopher; Holmes, Chris
2011-07-01
We propose a hierarchical Bayesian nonparametric mixture model for clustering when some of the covariates are assumed to be of varying relevance to the clustering problem. This can be thought of as an issue in variable selection for unsupervised learning. We demonstrate that by defining a hierarchical population based nonparametric prior on the cluster locations scaled by the inverse covariance matrices of the likelihood we arrive at a 'sparsity prior' representation which admits a conditionally conjugate prior. This allows us to perform full Gibbs sampling to obtain posterior distributions over parameters of interest including an explicit measure of each covariate's relevance and a distribution over the number of potential clusters present in the data. This also allows for individual cluster specific variable selection. We demonstrate improved inference on a number of canonical problems.
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
New Perspectives on Rodent Models of Advanced Paternal Age: Relevance to Autism
Directory of Open Access Journals (Sweden)
Claire J Foldi
2011-06-01
Full Text Available Offspring of older fathers have an increased risk of various adverse health outcomes, including autism and schizophrenia. With respect to biological mechanisms for this association, there are many more germline cell divisions in the life history of a sperm relative to that of an oocyte. This leads to more opportunities for copy error mutations in germ cells from older fathers. Evidence also suggests that epigenetic patterning in the sperm from older men is altered. Rodent models provide an experimental platform to examine the association between paternal age and brain development. Several rodent models of advanced paternal age (APA have been published with relevance to intermediate phenotypes related to autism. All four published APA models vary in key features creating a lack of consistency with respect to behavioural phenotypes. A consideration of common phenotypes that emerge from these APA-related mouse models may be informative in the exploration of the molecular and neurobiological correlates of APA.
Politis, Argyris; Schmidt, Carla
2018-03-20
Structural mass spectrometry with its various techniques is a powerful tool for the structural elucidation of medically relevant protein assemblies. It delivers information on the composition, stoichiometries, interactions and topologies of these assemblies. Most importantly it can deal with heterogeneous mixtures and assemblies which makes it universal among the conventional structural techniques. In this review we summarise recent advances and challenges in structural mass spectrometric techniques. We describe how the combination of the different mass spectrometry-based methods with computational strategies enable structural models at molecular levels of resolution. These models hold significant potential for helping us in characterizing the function of protein assemblies related to human health and disease. In this review we summarise the techniques of structural mass spectrometry often applied when studying protein-ligand complexes. We exemplify these techniques through recent examples from literature that helped in the understanding of medically relevant protein assemblies. We further provide a detailed introduction into various computational approaches that can be integrated with these mass spectrometric techniques. Last but not least we discuss case studies that integrated mass spectrometry and computational modelling approaches and yielded models of medically important protein assembly states such as fibrils and amyloids. Copyright © 2017 The Author(s). Published by Elsevier B.V. All rights reserved.
Directory of Open Access Journals (Sweden)
Yvonne Walz
2015-11-01
Full Text Available Schistosomiasis is a widespread water-based disease that puts close to 800 million people at risk of infection with more than 250 million infected, mainly in sub-Saharan Africa. Transmission is governed by the spatial distribution of specific freshwater snails that act as intermediate hosts and the frequency, duration and extent of human bodies exposed to infested water sources during human water contact. Remote sensing data have been utilized for spatially explicit risk profiling of schistosomiasis. Since schistosomiasis risk profiling based on remote sensing data inherits a conceptual drawback if school-based disease prevalence data are directly related to the remote sensing measurements extracted at the location of the school, because the disease transmission usually does not exactly occur at the school, we took the local environment around the schools into account by explicitly linking ecologically relevant environmental information of potential disease transmission sites to survey measurements of disease prevalence. Our models were validated at two sites with different landscapes in Côte d’Ivoire using high- and moderateresolution remote sensing data based on random forest and partial least squares regression. We found that the ecologically relevant modelling approach explained up to 70% of the variation in Schistosoma infection prevalence and performed better compared to a purely pixelbased modelling approach. Furthermore, our study showed that model performance increased as a function of enlarging the school catchment area, confirming the hypothesis that suitable environments for schistosomiasis transmission rarely occur at the location of survey measurements.
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.
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
Alfven continuum with toroidicity
International Nuclear Information System (INIS)
Riyopoulos, S.; Mahajan, S.M.
1985-06-01
The symmetry property of the MHD wave propagation operator is utilized to express the toroidal eigenmodes as a superposition of the mutually orthogonal cylindrical modes. Because of the degeneracy among cylindrical modes with the same frequency but resonant surfaces of different helicity the toroidal perturbation produces a zeroth order mixing of the above modes. The toroidal eigenmodes of frequency ω 0 2 have multiple resonant surfaces, with each surface shifted relative to its cylindrical position and carrying a multispectral content. Thus a single helicity toroidal antenna of frequency ω 0 couples strongly to all different helicity resonant surfaces with matching local Alfven frequency. Zeroth order coupling between modes in the continuum and global Alfven modes also results from toroidicity and degeneracy. Our perturbation technique is the MHD counterpart of the quantum mechanical methods and is applicable through the entire range of the MHD spectrum
Adams, Matthew P; Collier, Catherine J; Uthicke, Sven; Ow, Yan X; Langlois, Lucas; O'Brien, Katherine R
2017-01-04
When several models can describe a biological process, the equation that best fits the data is typically considered the best. However, models are most useful when they also possess biologically-meaningful parameters. In particular, model parameters should be stable, physically interpretable, and transferable to other contexts, e.g. for direct indication of system state, or usage in other model types. As an example of implementing these recommended requirements for model parameters, we evaluated twelve published empirical models for temperature-dependent tropical seagrass photosynthesis, based on two criteria: (1) goodness of fit, and (2) how easily biologically-meaningful parameters can be obtained. All models were formulated in terms of parameters characterising the thermal optimum (T opt ) for maximum photosynthetic rate (P max ). These parameters indicate the upper thermal limits of seagrass photosynthetic capacity, and hence can be used to assess the vulnerability of seagrass to temperature change. Our study exemplifies an approach to model selection which optimises the usefulness of empirical models for both modellers and ecologists alike.
Adams, Matthew P.; Collier, Catherine J.; Uthicke, Sven; Ow, Yan X.; Langlois, Lucas; O'Brien, Katherine R.
2017-01-01
When several models can describe a biological process, the equation that best fits the data is typically considered the best. However, models are most useful when they also possess biologically-meaningful parameters. In particular, model parameters should be stable, physically interpretable, and transferable to other contexts, e.g. for direct indication of system state, or usage in other model types. As an example of implementing these recommended requirements for model parameters, we evaluated twelve published empirical models for temperature-dependent tropical seagrass photosynthesis, based on two criteria: (1) goodness of fit, and (2) how easily biologically-meaningful parameters can be obtained. All models were formulated in terms of parameters characterising the thermal optimum (Topt) for maximum photosynthetic rate (Pmax). These parameters indicate the upper thermal limits of seagrass photosynthetic capacity, and hence can be used to assess the vulnerability of seagrass to temperature change. Our study exemplifies an approach to model selection which optimises the usefulness of empirical models for both modellers and ecologists alike.
Directory of Open Access Journals (Sweden)
Gabere MN
2016-06-01
Full Text Available Musa Nur Gabere,1 Mohamed Aly Hussein,1 Mohammad Azhar Aziz2 1Department of Bioinformatics, King Abdullah International Medical Research Center/King Saud bin Abdulaziz University for Health Sciences, Riyadh, Saudi Arabia; 2Colorectal Cancer Research Program, Department of Medical Genomics, King Abdullah International Medical Research Center, Riyadh, Saudi Arabia Purpose: There has been considerable interest in using whole-genome expression profiles for the classification of colorectal cancer (CRC. The selection of important features is a crucial step before training a classifier.Methods: In this study, we built a model that uses support vector machine (SVM to classify cancer and normal samples using Affymetrix exon microarray data obtained from 90 samples of 48 patients diagnosed with CRC. From the 22,011 genes, we selected the 20, 30, 50, 100, 200, 300, and 500 genes most relevant to CRC using the minimum-redundancy–maximum-relevance (mRMR technique. With these gene sets, an SVM model was designed using four different kernel types (linear, polynomial, radial basis function [RBF], and sigmoid.Results: The best model, which used 30 genes and RBF kernel, outperformed other combinations; it had an accuracy of 84% for both ten fold and leave-one-out cross validations in discriminating the cancer samples from the normal samples. With this 30 genes set from mRMR, six classifiers were trained using random forest (RF, Bayes net (BN, multilayer perceptron (MLP, naïve Bayes (NB, reduced error pruning tree (REPT, and SVM. Two hybrids, mRMR + SVM and mRMR + BN, were the best models when tested on other datasets, and they achieved a prediction accuracy of 95.27% and 91.99%, respectively, compared to other mRMR hybrid models (mRMR + RF, mRMR + NB, mRMR + REPT, and mRMR + MLP. Ingenuity pathway analysis was used to analyze the functions of the 30 genes selected for this model and their potential association with CRC: CDH3, CEACAM7, CLDN1, IL8, IL6R, MMP1
Decision-relevant evaluation of climate models: A case study of chill hours in California
Jagannathan, K. A.; Jones, A. D.; Kerr, A. C.
2017-12-01
The past decade has seen a proliferation of different climate datasets with over 60 climate models currently in use. Comparative evaluation and validation of models can assist practitioners chose the most appropriate models for adaptation planning. However, such assessments are usually conducted for `climate metrics' such as seasonal temperature, while sectoral decisions are often based on `decision-relevant outcome metrics' such as growing degree days or chill hours. Since climate models predict different metrics with varying skill, the goal of this research is to conduct a bottom-up evaluation of model skill for `outcome-based' metrics. Using chill hours (number of hours in winter months where temperature is lesser than 45 deg F) in Fresno, CA as a case, we assess how well different GCMs predict the historical mean and slope of chill hours, and whether and to what extent projections differ based on model selection. We then compare our results with other climate-based evaluations of the region, to identify similarities and differences. For the model skill evaluation, historically observed chill hours were compared with simulations from 27 GCMs (and multiple ensembles). Model skill scores were generated based on a statistical hypothesis test of the comparative assessment. Future projections from RCP 8.5 runs were evaluated, and a simple bias correction was also conducted. Our analysis indicates that model skill in predicting chill hour slope is dependent on its skill in predicting mean chill hours, which results from the non-linear nature of the chill metric. However, there was no clear relationship between the models that performed well for the chill hour metric and those that performed well in other temperature-based evaluations (such winter minimum temperature or diurnal temperature range). Further, contrary to conclusions from other studies, we also found that the multi-model mean or large ensemble mean results may not always be most appropriate for this
Looking for a relevant potential evapotranspiration model at the watershed scale
Oudin, L.; Hervieu, F.; Michel, C.; Perrin, C.; Anctil, F.; Andréassian, V.
2003-04-01
In this paper, we try to identify the most relevant approach to calculate Potential Evapotranspiration (PET) for use in a daily watershed model, to try to bring an answer to the following question: "how can we use commonly available atmospheric parameters to represent the evaporative demand at the catchment scale?". Hydrologists generally see the Penman model as the ideal model regarding to its good adequacy with lysimeter measurements and its physically-based formulation. However, in real-world engineering situations, where meteorological stations are scarce, hydrologists are often constrained to use other PET formulae with less data requirements or/and long-term average of PET values (the rationale being that PET is an inherently conservative variable). We chose to test 28 commonly used PET models coupled with 4 different daily watershed models. For each test, we compare both PET input options: actual data and long-term average data. The comparison is made in terms of streamflow simulation efficiency, over a large sample of 308 watersheds. The watersheds are located in France, Australia and the United States of America and represent varied climates. Strikingly, we find no systematic improvements of the watershed model efficiencies when using actual PET series instead of long-term averages. This suggests either that watershed models may not conveniently use the climatic information contained in PET values or that formulae are only awkward indicators of the real PET which watershed models need.
Modelling low energy electron and positron tracks in biologically relevant media
International Nuclear Information System (INIS)
Blanco, F.; Munoz, A.; Almeida, D.; Ferreira da Silva, F.; Limao-Vieira, P.; Fuss, M.C.; Sanz, A.G.; Garcia, G.
2013-01-01
This colloquium describes an approach to incorporate into radiation damage models the effect of low and intermediate energy (0-100 eV) electrons and positrons, slowing down in biologically relevant materials (water and representative biomolecules). The core of the modelling procedure is a C++ computing programme named 'Low Energy Particle Track Simulation (LEPTS)', which is compatible with available general purpose Monte Carlo packages. Input parameters are carefully selected from theoretical and experimental cross section data and energy loss distribution functions. Data sources used for this purpose are reviewed showing examples of electron and positron cross section and energy loss data for interactions with different media of increasing complexity: atoms, molecules, clusters and condense matter. Finally, we show how such a model can be used to develop an effective dosimetric tool at the molecular level (i.e. nanodosimetry). Recent experimental developments to study the fragmentation induced in biologically material by charge transfer from neutrals and negative ions are also included. (authors)
Crack propagation rate modelling for 316SS exposed to PWR-relevant conditions
International Nuclear Information System (INIS)
Vankeerberghen, M.; Weyns, G.; Gavrilov, S.; Martens, B.; Deconinck, J.
2009-01-01
The crack propagation rate of Type 316 stainless steel in boric acid-lithium hydroxide solutions under PWR-relevant conditions was modelled. A film rupture/dissolution/repassivation mechanism is assumed and extended to cold worked materials by including a stress-dependent bare metal dissolution current density. The chemical and electrochemical conditions within the crack are calculated by finite element calculations, an analytical expression is used for the crack-tip strain rate and the crack-tip stress is assumed equal to 2.5 times the yield stress (plane-strain). First the model was calibrated against a literature published data set. Afterwards, the influence of various variables - dissolved hydrogen, boric acid and lithium hydroxide content, stress intensity, crack length, temperature, flow rate - was studied. Finally, other published crack growth rate tests were modelled and the calculated crack growth rates were found to be in reasonable agreement with the reported ones
The relevance of existing health communication models in the email age: An
Fage-Butler, Antoinette Mary; Jensen, Matilde Nisbeth
2015-01-01
Email communication is being integrated relatively slowly into doctor–patient communication. Patients have expressed enthusiasm for the medium, while doctors are generally more reluctant. As existing health communication models have characteristically assumed the co-presence of doctor and patient and primarily reflect medical practitioners’ perspectives, their suitability in relation to email communication and patients’ perspectives warrants further investigation. Following a two-step process and using the methodology of the integrative literature review, 29 articles from 2004–2014 are analysed with the aim of investigating the advantages and disadvantages of the medium of email from the patient’s perspective. The findings are compared to the health communication models of biomedicine, patient-centeredness, patient education and patient empowerment to investigate these models’ relevance for doctor–patient email communication. Results show that patients identify numerous advantages with email communication, including improved convenience and access, more detailed informational exchanges, greater reflection opportunities, freedom from the medical gaze and the potential to level out power imbalances, as well as a number of primarily medium-related disadvantages. The findings indicate that email can counteract some of the communicative problems associated with biomedicine and suggest the ongoing relevance of aspects of the models of patient empowerment, patient-centeredness and patient education for email communication.
Relevant Criteria for Testing the Quality of Models for Turbulent Wind Speed Fluctuations
DEFF Research Database (Denmark)
Frandsen, Sten Tronæs; Ejsing Jørgensen, Hans; Sørensen, John Dalsgaard
2008-01-01
Seeking relevant criteria for testing the quality of turbulence models, the scale of turbulence and the gust factor have been estimated from data and compared with predictions from first-order models of these two quantities. It is found that the mean of the measured length scales is approximately...... 10% smaller than the IEC model for wind turbine hub height levels. The mean is only marginally dependent on trends in time series. It is also found that the coefficient of variation of the measured length scales is about 50%. 3 s and 10 s preaveraging of wind speed data are relevant for megawatt......-size wind turbines when seeking wind characteristics that correspond to one blade and the entire rotor, respectively. For heights exceeding 50-60 m, the gust factor increases with wind speed. For heights larger than 60-80 m, present assumptions on the value of the gust factor are significantly...
Bachmann-Machnik, Anna; Meyer, Daniel; Waldhoff, Axel; Fuchs, Stephan; Dittmer, Ulrich
2018-04-01
Retention Soil Filters (RSFs), a form of vertical flow constructed wetlands specifically designed for combined sewer overflow (CSO) treatment, have proven to be an effective tool to mitigate negative impacts of CSOs on receiving water bodies. Long-term hydrologic simulations are used to predict the emissions from urban drainage systems during planning of stormwater management measures. So far no universally accepted model for RSF simulation exists. When simulating hydraulics and water quality in RSFs, an appropriate level of detail must be chosen for reasonable balancing between model complexity and model handling, considering the model input's level of uncertainty. The most crucial parameters determining the resultant uncertainties of the integrated sewer system and filter bed model were identified by evaluating a virtual drainage system with a Retention Soil Filter for CSO treatment. To determine reasonable parameter ranges for RSF simulations, data of 207 events from six full-scale RSF plants in Germany were analyzed. Data evaluation shows that even though different plants with varying loading and operation modes were examined, a simple model is sufficient to assess relevant suspended solids (SS), chemical oxygen demand (COD) and NH4 emissions from RSFs. Two conceptual RSF models with different degrees of complexity were assessed. These models were developed based on evaluation of data from full scale RSF plants and column experiments. Incorporated model processes are ammonium adsorption in the filter layer and degradation during subsequent dry weather period, filtration of SS and particulate COD (XCOD) to a constant background concentration and removal of solute COD (SCOD) by a constant removal rate during filter passage as well as sedimentation of SS and XCOD in the filter overflow. XCOD, SS and ammonium loads as well as ammonium concentration peaks are discharged primarily via RSF overflow not passing through the filter bed. Uncertainties of the integrated
Continuum limbed robots for locomotion
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.
Continuum mechanics of anisotropic materials
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.
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.
Control Relevant Modeling and Design of Scramjet-Powered Hypersonic Vehicles
Dickeson, Jeffrey James
This report provides an overview of scramjet-powered hypersonic vehicle modeling and control challenges. Such vehicles are characterized by unstable non-minimum phase dynamics with significant coupling and low thrust margins. Recent trends in hypersonic vehicle research are summarized. To illustrate control relevant design issues and tradeoffs, a generic nonlinear 3DOF longitudinal dynamics model capturing aero-elastic-propulsive interactions for wedge-shaped vehicle is used. Limitations of the model are discussed and numerous modifications have been made to address control relevant needs. Two different baseline configurations are examined over a two-stage to orbit ascent trajectory. The report highlights how vehicle level-flight static (trim) and dynamic properties change over the trajectory. Thermal choking constraints are imposed on control system design as a direct consequence of having a finite FER margin. The implication of this state-dependent nonlinear FER margin constraint, the right half plane (RHP) zero, and lightly damped flexible modes, on control system bandwidth (BW) and FPA tracking has been discussed. A control methodology has been proposed that addresses the above dynamics while providing some robustness to modeling uncertainty. Vehicle closure (the ability to fly a trajectory segment subject to constraints) is provided through a proposed vehicle design methodology. The design method attempts to use open loop metrics whenever possible to design the vehicle. The design method is applied to a vehicle/control law closed loop nonlinear simulation for validation. The 3DOF longitudinal modeling results are validated against a newly released NASA 6DOF code.
The climate continuum revisited
Emile-Geay, J.; Wang, J.; Partin, J. W.
2015-12-01
A grand challenge of climate science is to quantify the extent of natural variability on adaptation-relevant timescales (10-100y). Since the instrumental record is too short to adequately estimate the spectra of climate measures, this information must be derived from paleoclimate proxies, which may harbor a many-to-one, non-linear (e.g. thresholded) and non-stationary relationship to climate. In this talk, I will touch upon the estimation of climate scaling behavior from climate proxies. Two case studies will be presented: an investigation of scaling behavior in a reconstruction of global surface temperature using state-of- the-art data [PAGES2K Consortium, in prep] and methods [Guillot et al., 2015]. Estimating the scaling exponent β in spectra derived from this reconstruction, we find that 0 long-term memory. Overall, the reconstruction-based spectra are steeper than the ones based on an instrumental dataset [HadCRUT4.2, Morice et al., 2012], and those estimated from PMIP3/CMIP5 models, suggesting the climate system is more energetic at multidecadal to centennial timescales than can be inferred from the short instrumental record or from the models developed to reproduce it [Laepple and Huybers, 2014]. an investigation of scaling behavior in speleothems records of tropical hydroclimate. We will make use of recent advances in proxy system modeling [Dee et al., 2015] and investigate how various aspects of the speleothem system (karst dynamics, age uncertainties) may conspire to bias the estimate of scaling behavior from speleothem timeseries. The results suggest that ignoring such complications leads to erroneous inferences about hydroclimate scaling. References Dee, S. G., J. Emile-Geay, M. N. Evans, Allam, A., D. M. Thompson, and E. J. Steig (2015), J. Adv. Mod. Earth Sys., 07, doi:10.1002/2015MS000447. Guillot, D., B. Rajaratnam, and J. Emile-Geay (2015), Ann. Applied. Statist., pp. 324-352, doi:10.1214/14-AOAS794. Laepple, T., and P. Huybers (2014), PNAS, doi
Budhwani, Karim Ismail
The tremendous quality of life impact notwithstanding, cardiovascular diseases and Cancer add up to over US$ 700bn each year in financial costs alone. Aging and population growth are expected to further expand the problem space while drug research and development remain expensive. However, preclinical costs can be substantially mitigated by substituting animal models with in vitro devices that accurately model human cardiovascular transport. Here we present a novel physiologically relevant lab-on-a-brane that simulates in vivo pressure, flow, strain, and shear waveforms associated with normal and pathological conditions in large and small blood vessels for studying molecular transport across the endothelial monolayer. The device builds upon previously demonstrated integrated microfluidic loop design by: (a) introducing nanoscale pores in the substrate membrane to enable transmembrane molecular transport, (b) transforming the substrate membrane into a nanofibrous matrix for 3D smooth muscle cell (SMC) tissue culture, (c) integrating electrospinning fabrication methods, (d) engineering an invertible sandwich cell culture device architecture, and (e) devising a healthy co-culture mechanism for human arterial endothelial cell (HAEC) monolayer and multiple layers of human smooth muscle cells (HSMC) to accurately mimic arterial anatomy. Structural and mechanical characterization was conducted using confocal microscopy, SEM, stress/strain analysis, and infrared spectroscopy. Transport was characterized using FITC-Dextran hydraulic permeability protocol. Structure and transport characterization successfully demonstrate device viability as a physiologically relevant arterial mimic for testing transendothelial transport. Thus, our lab-on-a-brane provides a highly effective and efficient, yet considerably inexpensive, physiologically relevant alternative for pharmacokinetic evaluation; possibly reducing animals used in pre-clinical testing, clinical trials cost from false
Muñoz-Tamayo, R; Puillet, L; Daniel, J B; Sauvant, D; Martin, O; Taghipoor, M; Blavy, P
2018-04-01
What is a good (useful) mathematical model in animal science? For models constructed for prediction purposes, the question of model adequacy (usefulness) has been traditionally tackled by statistical analysis applied to observed experimental data relative to model-predicted variables. However, little attention has been paid to analytic tools that exploit the mathematical properties of the model equations. For example, in the context of model calibration, before attempting a numerical estimation of the model parameters, we might want to know if we have any chance of success in estimating a unique best value of the model parameters from available measurements. This question of uniqueness is referred to as structural identifiability; a mathematical property that is defined on the sole basis of the model structure within a hypothetical ideal experiment determined by a setting of model inputs (stimuli) and observable variables (measurements). Structural identifiability analysis applied to dynamic models described by ordinary differential equations (ODEs) is a common practice in control engineering and system identification. This analysis demands mathematical technicalities that are beyond the academic background of animal science, which might explain the lack of pervasiveness of identifiability analysis in animal science modelling. To fill this gap, in this paper we address the analysis of structural identifiability from a practitioner perspective by capitalizing on the use of dedicated software tools. Our objectives are (i) to provide a comprehensive explanation of the structural identifiability notion for the community of animal science modelling, (ii) to assess the relevance of identifiability analysis in animal science modelling and (iii) to motivate the community to use identifiability analysis in the modelling practice (when the identifiability question is relevant). We focus our study on ODE models. By using illustrative examples that include published
Relevance of Discrecionary Accruals in Ohlson Model: the Case of Mexico
Directory of Open Access Journals (Sweden)
Rocío Durán-Vázquez
2012-01-01
Full Text Available This study applied the modified Jones´ model (1991 for selected companies of Mexico. This model aims to assess the impact of Discretionary Accrual Information (DAI on financial reporting statements, in order to identify the value relevance of “earnings quality”. We applied methodological criteria of Chung et al (2005 and Mukit & Iskandar (2009. We analyzed financial information of the 35 stock included in the Index of Prices and Quotations (IPC of the Mexican Stock Exchange (BMV for the period 2000 to 2011. 19 companies met the specifications of the model, for 48 quarters of information. The analysis was done in three parts: first, an analysis of the modified Jones´ model under panel data considerations by using fixed effects and adjustments of performing autocorrelation of order 1; second, a correlation analysis between the residuals of the modified Jones´ model and the return of stock price in 3 annual closings years of study: 2007, 2008 and 2009; and third, we incorporated this variable (DAI in the Ohlson model (of the financial and corporate accounting literature and we tested it with panel data analysis, under fixed effects, throughout the study period.
More Realistic Face Model Surface Improves Relevance of Pediatric In-Vitro Aerosol Studies.
Amirav, Israel; Halamish, Asaf; Gorenberg, Miguel; Omar, Hamza; Newhouse, Michael T
2015-01-01
Various hard face models are commonly used to evaluate the efficiency of aerosol face masks. Softer more realistic "face" surface materials, like skin, deform upon mask application and should provide more relevant in-vitro tests. Studies that simultaneously take into consideration many of the factors characteristic of the in vivo face are lacking. These include airways, various application forces, comparison of various devices, comparison with a hard-surface model and use of a more representative model face based on large numbers of actual faces. To compare mask to "face" seal and aerosol delivery of two pediatric masks using a soft vs. a hard, appropriately representative, pediatric face model under various applied forces. Two identical face models and upper airways replicas were constructed, the only difference being the suppleness and compressibility of the surface layer of the "face." Integrity of the seal and aerosol delivery of two different masks [AeroChamber (AC) and SootherMask (SM)] were compared using a breath simulator, filter collection and realistic applied forces. The soft "face" significantly increased the delivery efficiency and the sealing characteristics of both masks. Aerosol delivery with the soft "face" was significantly greater for the SM compared to the AC (pmasks was observed with the hard "face." The material and pliability of the model "face" surface has a significant influence on both the seal and delivery efficiency of face masks. This finding should be taken into account during in-vitro aerosol studies.
Linking electricity and water models to assess electricity choices at water-relevant scales
International Nuclear Information System (INIS)
Sattler, S; Rogers, J; Macknick, J; Lopez, A; Yates, D; Flores-Lopez, F
2012-01-01
Hydrology/water management and electricity generation projections have been modeled separately, but there has been little effort in intentionally and explicitly linking the two sides of the water–energy nexus. This paper describes a platform for assessing power plant cooling water withdrawals and consumption under different electricity pathways at geographic and time scales appropriate for both electricity and hydrology/water management. This platform uses estimates of regional electricity generation by the Regional Energy Deployment System (ReEDS) as input to a hydrologic and water management model—the Water Evaluation and Planning (WEAP) system. In WEAP, this electricity use represents thermoelectric cooling water withdrawals and consumption within the broader, regional water resource context. Here we describe linking the electricity and water models, including translating electricity generation results from ReEDS-relevant geographies to the water-relevant geographies of WEAP. The result of this analysis is water use by the electric sector at the regional watershed level, which is used to examine the water resource implications of these electricity pathways. (letter)
Malaria in pregnancy: the relevance of animal models for vaccine development.
Doritchamou, Justin; Teo, Andrew; Fried, Michal; Duffy, Patrick E
2017-10-06
Malaria during pregnancy due to Plasmodium falciparum or P. vivax is a major public health problem in endemic areas, with P. falciparum causing the greatest burden of disease. Increasing resistance of parasites and mosquitoes to existing tools, such as preventive antimalarial treatments and insecticide-treated bed nets respectively, is eroding the partial protection that they offer to pregnant women. Thus, development of effective vaccines against malaria during pregnancy is an urgent priority. Relevant animal models that recapitulate key features of the pathophysiology and immunology of malaria in pregnant women could be used to accelerate vaccine development. This review summarizes available rodent and nonhuman primate models of malaria in pregnancy, and discusses their suitability for studies of biologics intended to prevent or treat malaria in this vulnerable population.
Directory of Open Access Journals (Sweden)
Khary K. Rigg
2014-07-01
Full Text Available An overemphasis on clinical trials and behavior change models has narrowed the knowledge base that can be used to design interventions. The overarching point is that the process of overanalyzing variables is impeding the process of gaining insight into the everyday experiences that shape how people define health and seek treatment. This claim is especially important to health decision-making and behavior change because subtle interpretations often influence the decisions that people make. This manuscript provides a critique of traditional approaches to developing health interventions, and theoretically justifies what and why changes are warranted. The limited scope of these models is also discussed, and an argument is made to adopt a strategy that includes the perceptions of people as necessary for understanding health and health-related decision-making. Three practical strategies are suggested to be used with the more standard approaches to assessing the effectiveness and relevance of health interventions.
Impact relevance and usability of high resolution climate modeling and data
Energy Technology Data Exchange (ETDEWEB)
Arnott, James C. [Aspen Global Change Inst., Basalt, CO (United States)
2016-10-30
The Aspen Global Change Institute hosted a technical science workshop entitled, “Impact Relevance and Usability of High-Resolution Climate Modeling and Datasets,” on August 2-7, 2015 in Aspen, CO. Kate Calvin (Pacific Northwest National Laboratory), Andrew Jones (Lawrence Berkeley National Laboratory) and Jean-François Lamarque (NCAR) served as co-chairs for the workshop. The meeting included the participation of 29 scientists for a total of 145 participant days. Following the workshop, workshop co-chairs authored a meeting report published in Eos on April 27, 2016. Insights from the workshop directly contributed to the formation of a new DOE-supported project co-led by workshop co-chair Andy Jones. A subset of meeting participants continue to work on a publication on institutional innovations that can support the usability of high resolution modeling, among other sources of climate information.
Determinants of dermal exposure relevant for exposure modelling in regulatory risk assessment.
Marquart, J; Brouwer, D H; Gijsbers, J H J; Links, I H M; Warren, N; van Hemmen, J J
2003-11-01
Risk assessment of chemicals requires assessment of the exposure levels of workers. In the absence of adequate specific measured data, models are often used to estimate exposure levels. For dermal exposure only a few models exist, which are not validated externally. In the scope of a large European research programme, an analysis of potential dermal exposure determinants was made based on the available studies and models and on the expert judgement of the authors of this publication. Only a few potential determinants appear to have been studied in depth. Several studies have included clusters of determinants into vaguely defined parameters, such as 'task' or 'cleaning and maintenance of clothing'. Other studies include several highly correlated parameters, such as 'amount of product handled', 'duration of task' and 'area treated', and separation of these parameters to study their individual influence is not possible. However, based on the available information, a number of determinants could clearly be defined as proven or highly plausible determinants of dermal exposure in one or more exposure situation. This information was combined with expert judgement on the scientific plausibility of the influence of parameters that have not been extensively studied and on the possibilities to gather relevant information during a risk assessment process. The result of this effort is a list of determinants relevant for dermal exposure models in the scope of regulatory risk assessment. The determinants have been divided into the major categories 'substance and product characteristics', 'task done by the worker', 'process technique and equipment', 'exposure control measures', 'worker characteristics and habits' and 'area and situation'. To account for the complex nature of the dermal exposure processes, a further subdivision was made into the three major processes 'direct contact', 'surface contact' and 'deposition'.
Clinical and Neurobiological Relevance of Current Animal Models of Autism Spectrum Disorders
Kim, Ki Chan; Gonzales, Edson Luck; Lázaro, María T.; Choi, Chang Soon; Bahn, Geon Ho; Yoo, Hee Jeong; Shin, Chan Young
2016-01-01
Autism spectrum disorder (ASD) is a neurodevelopmental disorder characterized by social and communication impairments, as well as repetitive and restrictive behaviors. The phenotypic heterogeneity of ASD has made it overwhelmingly difficult to determine the exact etiology and pathophysiology underlying the core symptoms, which are often accompanied by comorbidities such as hyperactivity, seizures, and sensorimotor abnormalities. To our benefit, the advent of animal models has allowed us to assess and test diverse risk factors of ASD, both genetic and environmental, and measure their contribution to the manifestation of autistic symptoms. At a broader scale, rodent models have helped consolidate molecular pathways and unify the neurophysiological mechanisms underlying each one of the various etiologies. This approach will potentially enable the stratification of ASD into clinical, molecular, and neurophenotypic subgroups, further proving their translational utility. It is henceforth paramount to establish a common ground of mechanistic theories from complementing results in preclinical research. In this review, we cluster the ASD animal models into lesion and genetic models and further classify them based on the corresponding environmental, epigenetic and genetic factors. Finally, we summarize the symptoms and neuropathological highlights for each model and make critical comparisons that elucidate their clinical and neurobiological relevance. PMID:27133257
Directory of Open Access Journals (Sweden)
Ana Mugoša
2015-06-01
Full Text Available The aim of this paper is to analyze the relevance of dividend discount model, i.e. its specific form in stock price estimation known as Gordon growth model. The expected dividends can be a measure of cash flows returned to the stockholder. In this context, the model is useful for assessment of how risk factors, such as interest rates and changing inflation rates, affect stock returns. This is especially important in case when investors are value oriented, i.e. when expected dividends are theirmain investing drivers. We compared the estimated with the actual stock price values and tested the statistical significance of price differences in 199 publicly traded European companies for the period2010-2013. Statistical difference between pairs of price series (actual and estimated was tested using Wilcoxon and Kruskal-Wallis tests of median and distribution equality. The hypothesis that Gordon growth model cannot be reliable measure of stock price valuation on European equity market over period of 2010-2013 due to influence of the global financial crisis was rejected with 95% confidence. Gordon growth model has proven to be reliable measure of stock price valuation even over period of strong global financial crisis influence.
Canine intrahepatic vasculature: is a functional anatomic model relevant to the dog?
Hall, Jon L; Mannion, Paddy; Ladlow, Jane F
2015-01-01
To clarify canine intrahepatic portal and hepatic venous system anatomy using corrosion casting and advanced imaging and to devise a novel functional anatomic model of the canine liver to investigate whether this could help guide the planning and surgical procedure of partial hepatic lobectomy and interventional radiological procedures. Prospective experimental study. Adult Greyhound cadavers (n = 8). Portal and hepatic vein corrosion casts of healthy livers were assessed using computed tomography (CT). The hepatic lobes have a consistent hilar hepatic and portal vein supply with some variation in the number of intrahepatic branches. For all specimens, 3 surgically resectable areas were identified in the left lateral lobe and 2 surgically resectable areas were identified in the right medial lobe as defined by a functional anatomic model. CT of detailed acrylic casts allowed complex intrahepatic vascular relationships to be investigated and compared with previous studies. Improving understanding of the intrahepatic vascular supply facilitates interpretation of advanced images in clinical patients, the planning and performance of surgical procedures, and may facilitate interventional vascular procedures, such as intravenous embolization of portosystemic shunts. Functional division of the canine liver similar to human models is possible. The left lateral and right medial lobes can be consistently divided into surgically resectable functional areas and partial lobectomies can be performed following a functional model; further study in clinically affected animals would be required to investigate the relevance of this functional model in the dog. © Copyright 2014 by The American College of Veterinary Surgeons.
On the hyperporous non-linear elasticity model for fusion-relevant pebble beds
International Nuclear Information System (INIS)
Di Maio, P.A.; Giammusso, R.; Vella, G.
2010-01-01
Packed pebble beds are particular granular systems composed of a large amount of small particles, arranged in irregular lattices and surrounded by a gas filling interstitial spaces. Due to their heterogeneous structure, pebble beds have non-linear and strongly coupled thermal and mechanical behaviours whose constitutive models seem limited, being not suitable for fusion-relevant design-oriented applications. Within the framework of the modelling activities promoted for the lithiated ceramics and beryllium pebble beds foreseen in the Helium-Cooled Pebble Bed breeding blanket concept of DEMO, at the Department of Nuclear Engineering of the University of Palermo (DIN) a thermo-mechanical constitutive model has been set-up assuming that pebble beds can be considered as continuous, homogeneous and isotropic media. The present paper deals with the DIN non-linear elasticity constitutive model, based on the assumption that during the reversible straining of a pebble bed its effective logarithmic bulk modulus depends on the equivalent pressure according to a modified power law and its effective Poisson modulus remains constant. In these hypotheses the functional dependence of the effective tangential and secant bed deformation moduli on either the equivalent pressure or the volumetric strain have been derived in a closed analytical form. A procedure has been, then, defined to assess the model parameters for a given pebble bed from its oedometric test results and it has been applied to both polydisperse lithium orthosilicate and single size beryllium pebble beds.
Regional and global modeling estimates of policy relevant background ozone over the United States
Emery, Christopher; Jung, Jaegun; Downey, Nicole; Johnson, Jeremiah; Jimenez, Michele; Yarwood, Greg; Morris, Ralph
2012-02-01
Policy Relevant Background (PRB) ozone, as defined by the US Environmental Protection Agency (EPA), refers to ozone concentrations that would occur in the absence of all North American anthropogenic emissions. PRB enters into the calculation of health risk benefits, and as the US ozone standard approaches background levels, PRB is increasingly important in determining the feasibility and cost of compliance. As PRB is a hypothetical construct, modeling is a necessary tool. Since 2006 EPA has relied on global modeling to establish PRB for their regulatory analyses. Recent assessments with higher resolution global models exhibit improved agreement with remote observations and modest upward shifts in PRB estimates. This paper shifts the paradigm to a regional model (CAMx) run at 12 km resolution, for which North American boundary conditions were provided by a low-resolution version of the GEOS-Chem global model. We conducted a comprehensive model inter-comparison, from which we elucidate differences in predictive performance against ozone observations and differences in temporal and spatial background variability over the US. In general, CAMx performed better in replicating observations at remote monitoring sites, and performance remained better at higher concentrations. While spring and summer mean PRB predicted by GEOS-Chem ranged 20-45 ppb, CAMx predicted PRB ranged 25-50 ppb and reached well over 60 ppb in the west due to event-oriented phenomena such as stratospheric intrusion and wildfires. CAMx showed a higher correlation between modeled PRB and total observed ozone, which is significant for health risk assessments. A case study during April 2006 suggests that stratospheric exchange of ozone is underestimated in both models on an event basis. We conclude that wildfires, lightning NO x and stratospheric intrusions contribute a significant level of uncertainty in estimating PRB, and that PRB will require careful consideration in the ozone standard setting process.
Continuum mechanics elasticity, plasticity, viscoelasticity
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...
Towards Measures to Establish the Relevance of Climate Model Output for Decision Support
Clarke, L.; Smith, L. A.
2007-12-01
How exactly can decision-support and policy making benefit from the use of multiple climate model experiments in terms of coping with the uncertainties on climate change projections? Climate modelling faces challenges beyond those of weather forecasting or even seasonal forecasting, as with climate we are now (and will probably always be) required to extrapolate to regimes in which we have no relevant forecast-verification archive. This suggests a very different approach from traditional methods of mixing models and skill based weighting to gain profitable probabilistic information when a large forecast-verification archive is in hand. In the case of climate, it may prove more rational to search for agreement between our models (in distribution), the aim being to determine the space and timescales on which, given our current understanding, the details of the simulation models are unimportant. This suggestion and others from Smith (2002, Proc. National Acad. Sci. USA 4 (99): 2487-2492) are interpreted in the light of recent advances. Climate models are large nonlinear dynamical systems which insightfully but imperfectly reflect the evolving weather patterns of the Earth. Their use in policy making and decision support assumes both that they contain sufficient information regarding reality to inform the decision, and that this information can be effectively communicated to the decision makers. There is nothing unique about climate modeling and these constraints, they apply in all cases where scientific modeling is applied to real-word actions (other than, perhaps, the action of improving our models). Starting with the issue of communication, figures from the 2007 IPCC Summary for Policy Makers will be constructively criticized from the perspective of decision makers, specifically those of the energy sector and the insurance/reinsurance sector. More information on basic questions of reliability and robustness would be of significant value when determining how heavily
The continuum of behavior guidance.
Nelson, Travis
2013-01-01
Behavior guidance is a continuum of techniques, basic and advanced, fundamental to the provision of quality dental care for pediatric patients. This practice must be individualized, pairing the correct method of behavior guidance with each child. To select the appropriate technique, the clinician must have a thorough understanding of each aspect of the continuum and anticipate parental expectations, child temperament, and the technical procedures necessary to complete care. By effectively using techniques within the continuum of behavior guidance, a healing relationship with the family is maintained while addressing dental disease and empowering the child to receive dental treatment throughout their lifetime. Copyright © 2013 Elsevier Inc. All rights reserved.
From research excellence to brand relevance: A model for higher education reputation building
Directory of Open Access Journals (Sweden)
Nina Overton-de Klerk
2016-05-01
Full Text Available In this article we propose a novel approach to reputation development at higher education institutions. Global reputation development at higher education institutions is largely driven by research excellence, is predominantly measured by research output, and is predominantly reflected in hierarchical university rankings. The ranking becomes equated with brand equity. We argue that the current approach to reputation development in higher education institutions is modernist and linear. This is strangely out-of-kilter with the complexities of a transforming society in flux, the demands of a diversity of stakeholders, and the drive towards transdisciplinarity, laterality, reflexivity and relevance in science. Good research clearly remains an important ingredient of a university's brand value. However, a case can be made for brand relevance, co-created in collaboration with stakeholders, as an alternative and non-linear way of differentiation. This approach is appropriate in light of challenges in strategic science globally as well as trends and shifts in the emerging paradigm of strategic communication. In applying strategic communication principles to current trends and issues in strategic science and the communication thereof, an alternative model for strategic reputation building at higher education institutions is developed.
Gene Expression Analysis to Assess the Relevance of Rodent Models to Human Lung Injury.
Sweeney, Timothy E; Lofgren, Shane; Khatri, Purvesh; Rogers, Angela J
2017-08-01
The relevance of animal models to human diseases is an area of intense scientific debate. The degree to which mouse models of lung injury recapitulate human lung injury has never been assessed. Integrating data from both human and animal expression studies allows for increased statistical power and identification of conserved differential gene expression across organisms and conditions. We sought comprehensive integration of gene expression data in experimental acute lung injury (ALI) in rodents compared with humans. We performed two separate gene expression multicohort analyses to determine differential gene expression in experimental animal and human lung injury. We used correlational and pathway analyses combined with external in vitro gene expression data to identify both potential drivers of underlying inflammation and therapeutic drug candidates. We identified 21 animal lung tissue datasets and three human lung injury bronchoalveolar lavage datasets. We show that the metasignatures of animal and human experimental ALI are significantly correlated despite these widely varying experimental conditions. The gene expression changes among mice and rats across diverse injury models (ozone, ventilator-induced lung injury, LPS) are significantly correlated with human models of lung injury (Pearson r = 0.33-0.45, P human lung injury. Predicted therapeutic targets, peptide ligand signatures, and pathway analyses are also all highly overlapping. Gene expression changes are similar in animal and human experimental ALI, and provide several physiologic and therapeutic insights to the disease.
Relevance of the Lin's and Host hydropedological models to predict grape yield and wine quality
Directory of Open Access Journals (Sweden)
E. A. C. Costantini
2009-09-01
Full Text Available The adoption of precision agriculture in viticulture could be greatly enhanced by the diffusion of straightforward and easy to be applied hydropedological models, able to predict the spatial variability of available soil water. The Lin's and Host hydropedological models were applied to standard soil series descriptions and hillslope position, to predict the distribution of hydrological functional units in two vineyard and their relevance for grape yield and wine quality. A three-years trial was carried out in Chianti (Central Italy on Sangiovese. The soils of the vineyards differentiated in structure, porosity and related hydropedological characteristics, as well as in salinity. Soil spatial variability was deeply affected by earth movement carried out before vine plantation. Six plots were selected in the different hydrological functional units of the two vineyards, that is, at summit, backslope and footslope morphological positions, to monitor soil hydrology, grape production and wine quality. Plot selection was based upon a cluster analysis of local slope, topographic wetness index (TWI, and cumulative moisture up to the root limiting layer, appreciated by means of a detailed combined geophysical survey. Water content, redox processes and temperature were monitored, as well as yield, phenological phases, and chemical analysis of grapes. The isotopic ratio δ^{13}C was measured in the wine ethanol upon harvesting to evaluate the degree of stress suffered by vines. The grapes in each plot were collected for wine making in small barrels. The wines obtained were analysed and submitted to a blind organoleptic testing.
The results demonstrated that the combined application of the two hydropedological models can be used for the prevision of the moisture status of soils cultivated with grape during summertime in Mediterranean climate. As correctly foreseen by the models, the amount of mean daily transpirable soil water (TSW during
The big seven model of personality and its relevance to personality pathology.
Simms, Leonard J
2007-02-01
Proponents of the Big Seven model of personality have suggested that Positive Valence (PV) and Negative Valence (NV) are independent of the Big Five personality dimensions and may be particularly relevant to personality disorder. These hypotheses were tested with 403 undergraduates who completed a Big Seven measure and markers of the Big Five and personality pathology. Results revealed that PV and NV incrementally predicted personality pathology dimensions beyond those predicted by multiple markers of the Big Five. However, factor analyses suggested that PV and NV might be best understood as specific, maladaptive aspects of positive emotionality and low agreeableness, respectively, as opposed to independent factors of personality. Implications for the description of normal and abnormal personality are discussed.
International Nuclear Information System (INIS)
Boscá, A.; Pedrós, J.; Martínez, J.; Calle, F.
2015-01-01
Due to its intrinsic high mobility, graphene has proved to be a suitable material for high-speed electronics, where graphene field-effect transistor (GFET) has shown excellent properties. In this work, we present a method for extracting relevant electrical parameters from GFET devices using a simple electrical characterization and a model fitting. With experimental data from the device output characteristics, the method allows to calculate parameters such as the mobility, the contact resistance, and the fixed charge. Differentiated electron and hole mobilities and direct connection with intrinsic material properties are some of the key aspects of this method. Moreover, the method output values can be correlated with several issues during key fabrication steps such as the graphene growth and transfer, the lithographic steps, or the metalization processes, providing a flexible tool for quality control in GFET fabrication, as well as a valuable feedback for improving the material-growth process
Energy Technology Data Exchange (ETDEWEB)
Boscá, A., E-mail: alberto.bosca@upm.es [Instituto de Sistemas Optoelectrónicos y Microtecnología, Universidad Politécnica de Madrid, Madrid 28040 (Spain); Dpto. de Ingeniería Electrónica, E.T.S.I. de Telecomunicación, Universidad Politécnica de Madrid, Madrid 28040 (Spain); Pedrós, J. [Instituto de Sistemas Optoelectrónicos y Microtecnología, Universidad Politécnica de Madrid, Madrid 28040 (Spain); Campus de Excelencia Internacional, Campus Moncloa UCM-UPM, Madrid 28040 (Spain); Martínez, J. [Instituto de Sistemas Optoelectrónicos y Microtecnología, Universidad Politécnica de Madrid, Madrid 28040 (Spain); Dpto. de Ciencia de Materiales, E.T.S.I de Caminos, Canales y Puertos, Universidad Politécnica de Madrid, Madrid 28040 (Spain); Calle, F. [Instituto de Sistemas Optoelectrónicos y Microtecnología, Universidad Politécnica de Madrid, Madrid 28040 (Spain); Dpto. de Ingeniería Electrónica, E.T.S.I. de Telecomunicación, Universidad Politécnica de Madrid, Madrid 28040 (Spain); Campus de Excelencia Internacional, Campus Moncloa UCM-UPM, Madrid 28040 (Spain)
2015-01-28
Due to its intrinsic high mobility, graphene has proved to be a suitable material for high-speed electronics, where graphene field-effect transistor (GFET) has shown excellent properties. In this work, we present a method for extracting relevant electrical parameters from GFET devices using a simple electrical characterization and a model fitting. With experimental data from the device output characteristics, the method allows to calculate parameters such as the mobility, the contact resistance, and the fixed charge. Differentiated electron and hole mobilities and direct connection with intrinsic material properties are some of the key aspects of this method. Moreover, the method output values can be correlated with several issues during key fabrication steps such as the graphene growth and transfer, the lithographic steps, or the metalization processes, providing a flexible tool for quality control in GFET fabrication, as well as a valuable feedback for improving the material-growth process.
Mitochondrial metabolism in early neural fate and its relevance for neuronal disease modeling.
Lorenz, Carmen; Prigione, Alessandro
2017-12-01
Modulation of energy metabolism is emerging as a key aspect associated with cell fate transition. The establishment of a correct metabolic program is particularly relevant for neural cells given their high bioenergetic requirements. Accordingly, diseases of the nervous system commonly involve mitochondrial impairment. Recent studies in animals and in neural derivatives of human pluripotent stem cells (PSCs) highlighted the importance of mitochondrial metabolism for neural fate decisions in health and disease. The mitochondria-based metabolic program of early neurogenesis suggests that PSC-derived neural stem cells (NSCs) may be used for modeling neurological disorders. Understanding how metabolic programming is orchestrated during neural commitment may provide important information for the development of therapies against conditions affecting neural functions, including aging and mitochondrial disorders. Copyright © 2017. Published by Elsevier Ltd.
Nonlinear continuum mechanics and large inelastic deformations
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...
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...
Relevance of the ICRP biokinetic model for dietary organically bound tritium
International Nuclear Information System (INIS)
Trivedi, A.
1999-10-01
Ingested dietary tritium can participate in metabolic processes, and become synthesized into organically bound tritium in the tissues and organs. The distribution and retention of the organically bound tritium throughout the body are much different than tritium in the body water. The International Commission on Radiological Protection (ICRP) Publication 56 (1989) has a biokinetic model to calculate dose from the ingestion of organically bound dietary tritium. The model predicts that the dose from the ingestion of organically bound dietary tritium is about 2.3 times higher than from the ingestion of the same activity of tritiated water. Under steady-state conditions, the calculated dose rate (using the first principle approach) from the ingestion of dietary organically bound tritium can be twice that from the ingestion of tritiated water. For an adult, the upper-bound dose estimate for the ingestion of dietary organically bound tritium is estimated to be close to 2.3 times higher than that of tritiated water. Therefore, given the uncertainty in the dose calculation with respect to the actual relevant dose, the ICRP biokinetic model for organically bound tritium is sufficient for dosimetry for adults. (author)
Relevant pH and lipase for in vitro models of gastric digestion.
Sams, Laura; Paume, Julie; Giallo, Jacqueline; Carrière, Frédéric
2016-01-01
The development of in vitro digestion models relies on the availability of in vivo data such as digestive enzyme levels and pH values recorded in the course of meal digestion. The variations of these parameters along the GI tract are important for designing dynamic digestion models but also static models for which the choice of representative conditions of the gastric and intestinal conditions is critical. Simulating gastric digestion with a static model and a single set of parameters is particularly challenging because the variations in pH and enzyme concentration occurring in the stomach are much broader than those occurring in the small intestine. A review of the literature on this topic reveals that most models of gastric digestion use very low pH values that are not representative of the fed conditions. This is illustrated here by showing the variations in gastric pH as a function of meal gastric emptying instead of time. This representation highlights those pH values that are the most relevant for testing meal digestion in the stomach. Gastric lipolysis is still largely ignored or is performed with microbial lipases. In vivo data on gastric lipase and lipolysis have however been collected in humans and dogs during test meals. The biochemical characterization of gastric lipase has shown that this enzyme is rather unique among lipases: (i) stability and activity in the pH range 2 to 7 with an optimum at pH 4-5.4; (ii) high tensioactivity that allows resistance to bile salts and penetration into phospholipid layers covering TAG droplets; (iii) sn-3 stereospecificity for TAG hydrolysis; and (iv) resistance to pepsin. Most of these properties have been known for more than two decades and should provide a rational basis for the replacement of gastric lipase by other lipases when gastric lipase is not available.
Integral equation hierarchy for continuum percolation
International Nuclear Information System (INIS)
Given, J.A.
1988-01-01
In this thesis a projection operator technique is presented that yields hierarchies of integral equations satisfied exactly by the n-point connectedness functions in a continuum version of the site-bond percolation problem. The n-point connectedness functions carry the same structural information for a percolation problem as then-point correlation functions do for a thermal problem. This method extends the Potts model mapping of Fortuin and Kastelyn to the continuum by exploiting an s-state generalization of the Widom-Rowlinson model, a continuum model for phase separation. The projection operator technique is used to produce an integral equation hierarchy for percolation similar to the Born-Green heirarchy. The Kirkwood superposition approximation (SA) is extended to percolation in order to close this hierarchy and yield a nonlinear integral equation for the two-point connectedness function. The fact that this function, in the SA, is the analytic continuation to negative density of the two-point correlation function in a corresponding thermal problem is discussed. The BGY equation for percolation is solved numerically, both by an expansion in powers of the density, and by an iterative technique due to Kirkwood. It is argued both analytically and numerically, that the BYG equation for percolation, unlike its thermal counterpart, shows non-classical critical behavior, with η = 1 and γ = 0.05 ± .1. Finally a sequence of refinements to the superposition approximations based in the theory of fluids by Rice and Lekner is discussed
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.
Continuum simulations of water flow past fullerene molecules
DEFF Research Database (Denmark)
Popadic, A.; Praprotnik, M.; Koumoutsakos, P.
2015-01-01
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...... as computed by the present model are in good agreement with results from atomistic and atomistic-continuum simulations at a fraction of the cost. We simulate the flow past a single fullerene and an array of fullerenes and demonstrate that such nanoscale flows can be computed efficiently by continuum flow...
Expansion of continuum functions on resonance wave functions and amplitudes
International Nuclear Information System (INIS)
Bang, J.; Gareev, F.A.; Gizzatkulov, M.H.; Goncharov, S.A.
1978-01-01
To overcome difficulties encountered with wave functions of continuum spectrum (for example, in a shell model with continuum) the pole expansion (by the Mittag-Leffler theorem) of wave functions, scattering amplitudes and the Green functions with positive energies are considered. It is shown that resonance functions (the Gamov functions) form a complete set over which the continuum functions could be expanded. The general view of these expansions for final potentials and for the Coulomb repulsion potential are obtained and discussed. It is shown that the application of the method to nuclear structure calculations leads to simple algebraic equations
Topology Optimization of Continuum Structures with Local Stress Constraints
DEFF Research Database (Denmark)
Duysinx, Pierre; Bendsøe, Martin P
1998-01-01
We introduce an extension of current technologies for topology optimization of continuum structures which allows for treating local stress criteria. We first consider relevant stress criteria for porous composite materials, initially by studying the stress states of the so-called rank 2 layered m...
Relevance of the c-statistic when evaluating risk-adjustment models in surgery.
Merkow, Ryan P; Hall, Bruce L; Cohen, Mark E; Dimick, Justin B; Wang, Edward; Chow, Warren B; Ko, Clifford Y; Bilimoria, Karl Y
2012-05-01
The measurement of hospital quality based on outcomes requires risk adjustment. The c-statistic is a popular tool used to judge model performance, but can be limited, particularly when evaluating specific operations in focused populations. Our objectives were to examine the interpretation and relevance of the c-statistic when used in models with increasingly similar case mix and to consider an alternative perspective on model calibration based on a graphical depiction of model fit. From the American College of Surgeons National Surgical Quality Improvement Program (2008-2009), patients were identified who underwent a general surgery procedure, and procedure groups were increasingly restricted: colorectal-all, colorectal-elective cases only, and colorectal-elective cancer cases only. Mortality and serious morbidity outcomes were evaluated using logistic regression-based risk adjustment, and model c-statistics and calibration curves were used to compare model performance. During the study period, 323,427 general, 47,605 colorectal-all, 39,860 colorectal-elective, and 21,680 colorectal cancer patients were studied. Mortality ranged from 1.0% in general surgery to 4.1% in the colorectal-all group, and serious morbidity ranged from 3.9% in general surgery to 12.4% in the colorectal-all procedural group. As case mix was restricted, c-statistics progressively declined from the general to the colorectal cancer surgery cohorts for both mortality and serious morbidity (mortality: 0.949 to 0.866; serious morbidity: 0.861 to 0.668). Calibration was evaluated graphically by examining predicted vs observed number of events over risk deciles. For both mortality and serious morbidity, there was no qualitative difference in calibration identified between the procedure groups. In the present study, we demonstrate how the c-statistic can become less informative and, in certain circumstances, can lead to incorrect model-based conclusions, as case mix is restricted and patients become
Constructing an everywhere and locally relevant predictive model of the West-African critical zone
Hector, B.; Cohard, J. M.; Pellarin, T.; Maxwell, R. M.; Cappelaere, B.; Demarty, J.; Grippa, M.; Kergoat, L.; Lebel, T.; Mamadou, O.; Mougin, E.; Panthou, G.; Peugeot, C.; Vandervaere, J. P.; Vischel, T.; Vouillamoz, J. M.
2017-12-01
Considering water resources and hydrologic hazards, West Africa is among the most vulnerable regions to face both climatic (e.g. with the observed intensification of precipitation) and anthropogenic changes. With +3% of demographic rate, the region experiences rapid land use changes and increased pressure on surface and groundwater resources with observed consequences on the hydrological cycle (water table rise result of the sahelian paradox, increase in flood occurrence, etc.) Managing large hydrosystems (such as transboundary aquifers or rivers basins as the Niger river) requires anticipation of such changes. However, the region significantly lacks observations, for constructing and validating critical zone (CZ) models able to predict future hydrologic regime, but also comprises hydrosystems which encompass strong environmental gradients (e.g. geological, climatic, ecological) with highly different dominating hydrological processes. We address these issues by constructing a high resolution (1 km²) regional scale physically-based model using ParFlow-CLM which allows modeling a wide range of processes without prior knowledge on their relative dominance. Our approach combines multiple scale modeling from local to meso and regional scales within the same theoretical framework. Local and meso-scale models are evaluated thanks to the rich AMMA-CATCH CZ observation database which covers 3 supersites with contrasted environments in Benin (Lat.: 9.8°N), Niger (Lat.: 13.3°N) and Mali (Lat.: 15.3°N). At the regional scale the lack of relevant map of soil hydrodynamic parameters is addressed using remote sensing data assimilation. Our first results show the model's ability to reproduce the known dominant hydrological processes (runoff generation, ET, groundwater recharge…) across the major West-African regions and allow us to conduct virtual experiments to explore the impact of global changes on the hydrosystems. This approach is a first step toward the construction of
Effects of continuum breakdown on hypersonic aerothermodynamics for reacting flow
Holman, Timothy D.; Boyd, Iain D.
2011-02-01
This study investigates the effects of continuum breakdown on the surface aerothermodynamic properties (pressure, stress, and heat transfer rate) of a sphere in a Mach 25 flow of reacting air in regimes varying from continuum to a rarefied gas. Results are generated using both continuum [computational fluid dynamics (CFD)] and particle [direct simulation Monte Carlo (DSMC)] approaches. The DSMC method utilizes a chemistry model that calculates the backward rates from an equilibrium constant. A preferential dissociation model is modified in the CFD method to better compare with the vibrationally favored dissociation model that is utilized in the DSMC method. Tests of these models are performed to confirm their validity and to compare the chemistry models in both numerical methods. This study examines the effect of reacting air flow on continuum breakdown and the surface properties of the sphere. As the global Knudsen number increases, the amount of continuum breakdown in the flow and on the surface increases. This increase in continuum breakdown significantly affects the surface properties, causing an increase in the differences between CFD and DSMC. Explanations are provided for the trends observed.
A conscious mouse model of gastric ileus using clinically relevant endpoints
Directory of Open Access Journals (Sweden)
Shao Yuanlin
2005-06-01
Full Text Available Abstract Background Gastric ileus is an unsolved clinical problem and current treatment is limited to supportive measures. Models of ileus using anesthetized animals, muscle strips or isolated smooth muscle cells do not adequately reproduce the clinical situation. Thus, previous studies using these techniques have not led to a clear understanding of the pathophysiology of ileus. The feasibility of using food intake and fecal output as simple, clinically relevant endpoints for monitoring ileus in a conscious mouse model was evaluated by assessing the severity and time course of various insults known to cause ileus. Methods Delayed food intake and fecal output associated with ileus was monitored after intraperitoneal injection of endotoxin, laparotomy with bowel manipulation, thermal injury or cerulein induced acute pancreatitis. The correlation of decreased food intake after endotoxin injection with gastric ileus was validated by measuring gastric emptying. The effect of endotoxin on general activity level and feeding behavior was also determined. Small bowel transit was measured using a phenol red marker. Results Each insult resulted in a transient and comparable decrease in food intake and fecal output consistent with the clinical picture of ileus. The endpoints were highly sensitive to small changes in low doses of endotoxin, the extent of bowel manipulation, and cerulein dose. The delay in food intake directly correlated with delayed gastric emptying. Changes in general activity and feeding behavior were insufficient to explain decreased food intake. Intestinal transit remained unchanged at the times measured. Conclusion Food intake and fecal output are sensitive markers of gastric dysfunction in four experimental models of ileus. In the mouse, delayed gastric emptying appears to be the major cause of the anorexic effect associated with ileus. Gastric dysfunction is more important than small bowel dysfunction in this model. Recovery of
Directory of Open Access Journals (Sweden)
Cheryl M. McCormick
2017-02-01
Full Text Available Elevations in glucocorticoids that result from environmental stressors can have programming effects on brain structure and function when the exposure occurs during sensitive periods that involve heightened neural development. In recent years, adolescence has gained increasing attention as another sensitive period of development, a period in which pubertal transitions may increase the vulnerability to stressors. There are similarities in physical and behavioural development between humans and rats, and rats have been used effectively as an animal model of adolescence and the unique plasticity of this period of ontogeny. This review focuses on benefits and challenges of rats as a model for translational research on hypothalamic-pituitary-adrenal (HPA function and stressors in adolescence, highlighting important parallels and contrasts between adolescent rats and humans, and we review the main stress procedures that are used in investigating HPA stress responses and their consequences in adolescence in rats. We conclude that a greater focus on timing of puberty as a factor in research in adolescent rats may increase the translational relevance of the findings.
Directory of Open Access Journals (Sweden)
Leonardo Furlan
2016-01-01
Full Text Available Advances in our understanding of the neural plasticity that occurs after hemiparetic stroke have contributed to the formulation of theories of poststroke motor recovery. These theories, in turn, have underpinned contemporary motor rehabilitation strategies for treating motor deficits after stroke, such as upper limb hemiparesis. However, a relative drawback has been that, in general, these strategies are most compatible with the recovery profiles of relatively high-functioning stroke survivors and therefore do not easily translate into benefit to those individuals sustaining low-functioning upper limb hemiparesis, who otherwise have poorer residual function. For these individuals, alternative motor rehabilitation strategies are currently needed. In this paper, we will review upper limb immobilisation studies that have been conducted with healthy adult humans and animals. Then, we will discuss how the findings from these studies could inspire the creation of a neural plasticity model that is likely to be of particular relevance to the context of motor rehabilitation after stroke. For instance, as will be elaborated, such model could contribute to the development of alternative motor rehabilitation strategies for treating poststroke upper limb hemiparesis. The implications of the findings from those immobilisation studies for contemporary motor rehabilitation strategies will also be discussed and perspectives for future research in this arena will be provided as well.
Lattice continuum and diffusional creep.
Mesarovic, Sinisa Dj
2016-04-01
Diffusional creep is characterized by growth/disappearance of lattice planes at the crystal boundaries that serve as sources/sinks of vacancies, and by diffusion of vacancies. The lattice continuum theory developed here represents a natural and intuitive framework for the analysis of diffusion in crystals and lattice growth/loss at the boundaries. The formulation includes the definition of the Lagrangian reference configuration for the newly created lattice, the transport theorem and the definition of the creep rate tensor for a polycrystal as a piecewise uniform, discontinuous field. The values associated with each crystalline grain are related to the normal diffusional flux at grain boundaries. The governing equations for Nabarro-Herring creep are derived with coupled diffusion and elasticity with compositional eigenstrain. Both, bulk diffusional dissipation and boundary dissipation accompanying vacancy nucleation and absorption, are considered, but the latter is found to be negligible. For periodic arrangements of grains, diffusion formally decouples from elasticity but at the cost of a complicated boundary condition. The equilibrium of deviatorically stressed polycrystals is impossible without inclusion of interface energies. The secondary creep rate estimates correspond to the standard Nabarro-Herring model, and the volumetric creep is small. The initial (primary) creep rate is estimated to be much larger than the secondary creep rate.
Meyer, Jerrold S.; Hamel, Amanda F.
2014-01-01
Stressful life events have been linked to the onset of severe psychopathology and endocrine dysfunction in many patients. Moreover, vulnerability to the later development of such disorders can be increased by stress or adversity during development (e.g., childhood neglect, abuse, or trauma). This review discusses the methodological features and results of various models of stress in nonhuman primates in the context of their potential relevance for human psychopathology and endocrine dysfunction, particularly mood disorders and dysregulation of the hypothalamic-pituitary-adrenocortical (HPA) system. Such models have typically examined the effects of stress on the animals' behavior, endocrine function (primarily the HPA and hypothalamic-pituitary-gonadal systems), and, in some cases, immune status. Manipulations such as relocation and/or removal of an animal from its current social group or, alternatively, formation of a new social group can have adverse effects on all of these outcome measures that may be either transient or more persistent depending on the species, sex, and other experimental conditions. Social primates may also experience significant stress associated with their rank in the group's dominance hierarchy. Finally, stress during prenatal development or during the early postnatal period may have long-lasting neurobiological and endocrine effects that manifest in an altered ability to cope behaviorally and physiologically with later challenges. Whereas early exposure to severe stress usually results in deficient coping abilities, certain kinds of milder stressors can promote subsequent resilience in the animal. We conclude that studies of stress in nonhuman primates can model many features of stress exposure in human populations and that such studies can play a valuable role in helping to elucidate the mechanisms underlying the role of stress in human psychopathology and endocrine dysfunction. PMID:25225311
Meyer, Jerrold S; Hamel, Amanda F
2014-01-01
Stressful life events have been linked to the onset of severe psychopathology and endocrine dysfunction in many patients. Moreover, vulnerability to the later development of such disorders can be increased by stress or adversity during development (e.g., childhood neglect, abuse, or trauma). This review discusses the methodological features and results of various models of stress in nonhuman primates in the context of their potential relevance for human psychopathology and endocrine dysfunction, particularly mood disorders and dysregulation of the hypothalamic-pituitary-adrenocortical (HPA) system. Such models have typically examined the effects of stress on the animals' behavior, endocrine function (primarily the HPA and hypothalamic-pituitary-gonadal systems), and, in some cases, immune status. Manipulations such as relocation and/or removal of an animal from its current social group or, alternatively, formation of a new social group can have adverse effects on all of these outcome measures that may be either transient or more persistent depending on the species, sex, and other experimental conditions. Social primates may also experience significant stress associated with their rank in the group's dominance hierarchy. Finally, stress during prenatal development or during the early postnatal period may have long-lasting neurobiological and endocrine effects that manifest in an altered ability to cope behaviorally and physiologically with later challenges. Whereas early exposure to severe stress usually results in deficient coping abilities, certain kinds of milder stressors can promote subsequent resilience in the animal. We conclude that studies of stress in nonhuman primates can model many features of stress exposure in human populations and that such studies can play a valuable role in helping to elucidate the mechanisms underlying the role of stress in human psychopathology and endocrine dysfunction. © The Author 2014. Published by Oxford University Press on
Map of fluid flow in fractal porous medium into fractal continuum flow.
Balankin, Alexander S; Elizarraraz, Benjamin Espinoza
2012-05-01
This paper is devoted to fractal continuum hydrodynamics and its application to model fluid flows in fractally permeable reservoirs. Hydrodynamics of fractal continuum flow is developed on the basis of a self-consistent model of fractal continuum employing vector local fractional differential operators allied with the Hausdorff derivative. The generalized forms of Green-Gauss and Kelvin-Stokes theorems for fractional calculus are proved. The Hausdorff material derivative is defined and the form of Reynolds transport theorem for fractal continuum flow is obtained. The fundamental conservation laws for a fractal continuum flow are established. The Stokes law and the analog of Darcy's law for fractal continuum flow are suggested. The pressure-transient equation accounting the fractal metric of fractal continuum flow is derived. The generalization of the pressure-transient equation accounting the fractal topology of fractal continuum flow is proposed. The mapping of fluid flow in a fractally permeable medium into a fractal continuum flow is discussed. It is stated that the spectral dimension of the fractal continuum flow d(s) is equal to its mass fractal dimension D, even when the spectral dimension of the fractally porous or fissured medium is less than D. A comparison of the fractal continuum flow approach with other models of fluid flow in fractally permeable media and the experimental field data for reservoir tests are provided.
Energy Technology Data Exchange (ETDEWEB)
Wang, Chi-Jen [Iowa State Univ., Ames, IA (United States)
2013-01-01
In this thesis, we analyze both the spatiotemporal behavior of: (A) non-linear “reaction” models utilizing (discrete) reaction-diffusion equations; and (B) spatial transport problems on surfaces and in nanopores utilizing the relevant (continuum) diffusion or Fokker-Planck equations. Thus, there are some common themes in these studies, as they all involve partial differential equations or their discrete analogues which incorporate a description of diffusion-type processes. However, there are also some qualitative differences, as shall be discussed below.
Cisplatin Resistant Spheroids Model Clinically Relevant Survival Mechanisms in Ovarian Tumors.
Directory of Open Access Journals (Sweden)
Winyoo Chowanadisai
Full Text Available The majority of ovarian tumors eventually recur in a drug resistant form. Using cisplatin sensitive and resistant cell lines assembled into 3D spheroids we profiled gene expression and identified candidate mechanisms and biological pathways associated with cisplatin resistance. OVCAR-8 human ovarian carcinoma cells were exposed to sub-lethal concentrations of cisplatin to create a matched cisplatin-resistant cell line, OVCAR-8R. Genome-wide gene expression profiling of sensitive and resistant ovarian cancer spheroids identified 3,331 significantly differentially expressed probesets coding for 3,139 distinct protein-coding genes (Fc >2, FDR < 0.05 (S2 Table. Despite significant expression changes in some transporters including MDR1, cisplatin resistance was not associated with differences in intracellular cisplatin concentration. Cisplatin resistant cells were significantly enriched for a mesenchymal gene expression signature. OVCAR-8R resistance derived gene sets were significantly more biased to patients with shorter survival. From the most differentially expressed genes, we derived a 17-gene expression signature that identifies ovarian cancer patients with shorter overall survival in three independent datasets. We propose that the use of cisplatin resistant cell lines in 3D spheroid models is a viable approach to gain insight into resistance mechanisms relevant to ovarian tumors in patients. Our data support the emerging concept that ovarian cancers can acquire drug resistance through an epithelial-to-mesenchymal transition.
Directory of Open Access Journals (Sweden)
Suzuki Motoyuki
2009-01-01
Full Text Available Abstract We are developing a method of Web-based unsupervised language model adaptation for recognition of spoken documents. The proposed method chooses keywords from the preliminary recognition result and retrieves Web documents using the chosen keywords. A problem is that the selected keywords tend to contain misrecognized words. The proposed method introduces two new ideas for avoiding the effects of keywords derived from misrecognized words. The first idea is to compose multiple queries from selected keyword candidates so that the misrecognized words and correct words do not fall into one query. The second idea is that the number of Web documents downloaded for each query is determined according to the "query relevance." Combining these two ideas, we can alleviate bad effect of misrecognized keywords by decreasing the number of downloaded Web documents from queries that contain misrecognized keywords. Finally, we examine a method of determining the number of iterative adaptations based on the recognition likelihood. Experiments have shown that the proposed stopping criterion can determine almost the optimum number of iterations. In the final experiment, the word accuracy without adaptation (55.29% was improved to 60.38%, which was 1.13 point better than the result of the conventional unsupervised adaptation method (59.25%.
Directory of Open Access Journals (Sweden)
Akinori Ito
2009-01-01
Full Text Available We are developing a method of Web-based unsupervised language model adaptation for recognition of spoken documents. The proposed method chooses keywords from the preliminary recognition result and retrieves Web documents using the chosen keywords. A problem is that the selected keywords tend to contain misrecognized words. The proposed method introduces two new ideas for avoiding the effects of keywords derived from misrecognized words. The first idea is to compose multiple queries from selected keyword candidates so that the misrecognized words and correct words do not fall into one query. The second idea is that the number of Web documents downloaded for each query is determined according to the “query relevance.” Combining these two ideas, we can alleviate bad effect of misrecognized keywords by decreasing the number of downloaded Web documents from queries that contain misrecognized keywords. Finally, we examine a method of determining the number of iterative adaptations based on the recognition likelihood. Experiments have shown that the proposed stopping criterion can determine almost the optimum number of iterations. In the final experiment, the word accuracy without adaptation (55.29% was improved to 60.38%, which was 1.13 point better than the result of the conventional unsupervised adaptation method (59.25%.
McMillan, Matthew T; Soi, Sameer; Asbun, Horacio J; Ball, Chad G; Bassi, Claudio; Beane, Joal D; Behrman, Stephen W; Berger, Adam C; Bloomston, Mark; Callery, Mark P; Christein, John D; Dixon, Elijah; Drebin, Jeffrey A; Castillo, Carlos Fernandez-Del; Fisher, William E; Fong, Zhi Ven; House, Michael G; Hughes, Steven J; Kent, Tara S; Kunstman, John W; Malleo, Giuseppe; Miller, Benjamin C; Salem, Ronald R; Soares, Kevin; Valero, Vicente; Wolfgang, Christopher L; Vollmer, Charles M
2016-08-01
To evaluate surgical performance in pancreatoduodenectomy using clinically relevant postoperative pancreatic fistula (CR-POPF) occurrence as a quality indicator. Accurate assessment of surgeon and institutional performance requires (1) standardized definitions for the outcome of interest and (2) a comprehensive risk-adjustment process to control for differences in patient risk. This multinational, retrospective study of 4301 pancreatoduodenectomies involved 55 surgeons at 15 institutions. Risk for CR-POPF was assessed using the previously validated Fistula Risk Score, and pancreatic fistulas were stratified by International Study Group criteria. CR-POPF variability was evaluated and hierarchical regression analysis assessed individual surgeon and institutional performance. There was considerable variability in both CR-POPF risk and occurrence. Factors increasing the risk for CR-POPF development included increasing Fistula Risk Score (odds ratio 1.49 per point, P ratio 3.30, P performance outliers were identified at the surgeon and institutional levels. Of the top 10 surgeons (≥15 cases) for nonrisk-adjusted performance, only 6 remained in this high-performing category following risk adjustment. This analysis of pancreatic fistulas following pancreatoduodenectomy demonstrates considerable variability in both the risk and occurrence of CR-POPF among surgeons and institutions. Disparities in patient risk between providers reinforce the need for comprehensive, risk-adjusted modeling when assessing performance based on procedure-specific complications. Furthermore, beyond inherent patient risk factors, surgical decision-making influences fistula outcomes.
Using language models to identify relevant new information in inpatient clinical notes.
Zhang, Rui; Pakhomov, Serguei V; Lee, Janet T; Melton, Genevieve B
2014-01-01
Redundant information in clinical notes within electronic health record (EHR) systems is ubiquitous and may negatively impact the use of these notes by clinicians, and, potentially, the efficiency of patient care delivery. Automated methods to identify redundant versus relevant new information may provide a valuable tool for clinicians to better synthesize patient information and navigate to clinically important details. In this study, we investigated the use of language models for identification of new information in inpatient notes, and evaluated our methods using expert-derived reference standards. The best method achieved precision of 0.743, recall of 0.832 and F1-measure of 0.784. The average proportion of redundant information was similar between inpatient and outpatient progress notes (76.6% (SD=17.3%) and 76.7% (SD=14.0%), respectively). Advanced practice providers tended to have higher rates of redundancy in their notes compared to physicians. Future investigation includes the addition of semantic components and visualization of new information.
International Nuclear Information System (INIS)
Argaud, J.P.; Bouriquet, B.; Clerc, T.; Lucet-Sanchez, F.; Poncot, A.
2015-01-01
The goal of this study is to look after the amount of information that is mandatory to get a relevant parameters optimisation by data assimilation for physical models in neutronic diffusion calculations, and to determine what is the best information to reach the optimum of accuracy at the cheapest cost. To evaluate the quality of the optimisation, we study the covariance matrix that represents the accuracy of the optimised parameter. This matrix is a classical output of the data assimilation procedure, and it is the main information about accuracy and sensitivity of the parameter optimal determination. We present some results collected in the field of neutronic simulation for PWR type reactor. We seek to optimise the reflector parameters that characterise the neutronic reflector surrounding the whole reactive core. On the basis of the configuration studies, it has been shown that with data assimilation we can determine a global strategy to optimise the quality of the result with respect to the amount of information provided. The consequence of this is a cost reduction in terms of measurement and/or computing time with respect to the basic approach. Another result is that using multi-campaign data rather data from a unique campaign significantly improves the efficiency of parameters optimisation
THM-coupled modeling of selected processes in argillaceous rock relevant to rock mechanics
International Nuclear Information System (INIS)
Czaikowski, Oliver
2012-01-01
Scientific investigations in European countries other than Germany concentrate not only on granite formations (Switzerland, Sweden) but also on argillaceous rock formations (France, Switzerland, Belgium) to assess their suitability as host and barrier rock for the final storage of radioactive waste. In Germany, rock salt has been under thorough study as a host rock over the past few decades. According to a study by the German Federal Institute for Geosciences and Natural Resources, however, not only salt deposits but also argillaceous rock deposits are available at relevant depths and of extensions in space which make final storage of high-level radioactive waste basically possible in Germany. Equally qualified findings about the suitability/unsuitability of non-saline rock formations require fundamental studies to be conducted nationally because of the comparatively low level of knowledge. The article presents basic analyses of coupled mechanical and hydraulic properties of argillaceous rock formations as host rock for a repository. The interaction of various processes is explained on the basis of knowledge derived from laboratory studies, and open problems are deduced. For modeling coupled processes, a simplified analytical computation method is proposed and compared with the results of numerical simulations, and the limits to its application are outlined. (orig.)
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,…
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
Giacomozzi, Claudia; Stebbins, Julie A
2017-03-01
Plantar pressure analysis is widely used in the assessment of foot function. In order to assess regional loading, a mask is applied to the footprint to sub-divide it into regions of interest (ROIs). The most common masking method is based on geometric features of the footprint (GM). Footprint masking based on anatomical landmarks of the foot has been implemented more recently, and involves the integration of a 3D motion capture system, plantar pressure measurement device, and a multi-segment foot model. However, thorough validation of anatomical masking (AM) using pathological footprints has not yet been presented. In the present study, an AM method based on the Oxford Foot Model (OFM) was compared to an equivalent GM. Pressure footprints from 20 young healthy subjects (HG) and 20 patients with clubfoot (CF) were anatomically divided into 5 ROIs using a subset of the OFM markers. The same foot regions were also identified by using a standard GM method. Comparisons of intra-subject coefficient of variation (CV) showed that the OFM-based AM was at least as reliable as the GM for all investigated pressure parameters in all foot regions. Clinical relevance of AM was investigated by comparing footprints from HG and CF groups. Contact time, maximum force, force-time integral and contact area proved to be sensitive parameters that were able to distinguish HG and CF groups, using both AM and GM methods However, the AM method revealed statistically significant differences between groups in 75% of measured variables, compared to 62% using a standard GM method, indicating that the AM method is more sensitive for revealing differences between groups. Copyright © 2017 Elsevier B.V. All rights reserved.
New clinically relevant, orthotopic mouse models of human chondrosarcoma with spontaneous metastasis
Directory of Open Access Journals (Sweden)
Dass Crispin R
2010-06-01
Full Text Available Abstract Background Chondrosarcoma responds poorly to adjuvant therapy and new, clinically relevant animal models are required to test targeted therapy. Methods Two human chondrosarcoma cell lines, JJ012 and FS090, were evaluated for proliferation, colony formation, invasion, angiogenesis and osteoclastogenesis. Cell lines were also investigated for VEGF, MMP-2, MMP-9, and RECK expression. JJ012 and FS090 were injected separately into the mouse tibia intramedullary canal or tibial periosteum. Animal limbs were measured, and x-rayed for evidence of tumour take and progression. Tibias and lungs were harvested to determine the presence of tumour and lung metastases. Results JJ012 demonstrated significantly higher proliferative capacity, invasion, and colony formation in collagen I gel. JJ012 conditioned medium stimulated endothelial tube formation and osteoclastogenesis with a greater potency than FS090 conditioned medium, perhaps related to the effects of VEGF and MMP-9. In vivo, tumours formed in intratibial and periosteal groups injected with JJ012, however no mice injected with FS090 developed tumours. JJ012 periosteal tumours grew to 3 times the non-injected limb size by 7 weeks, whereas intratibial injected limbs required 10 weeks to achieve a similar tumour size. Sectioned tumour tissue demonstrated features of grade III chondrosarcoma. All JJ012 periosteal tumours (5/5 resulted in lung micro-metastases, while only 2/4 JJ012 intratibial tumours demonstrated metastases. Conclusions The established JJ012 models replicate the site, morphology, and many behavioural characteristics of human chondrosarcoma. Local tumour invasion of bone and spontaneous lung metastasis offer valuable assessment tools to test the potential of novel agents for future chondrosarcoma therapy.
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
Identifying health disparities across the tobacco continuum.
Fagan, Pebbles; Moolchan, Eric T; Lawrence, Deirdre; Fernander, Anita; Ponder, Paris K
2007-10-01
Few frameworks have addressed work-force diversity, inequities and inequalities as part of a comprehensive approach to eliminating tobacco-related health disparities. This paper summarizes the literature and describes the known disparities that exist along the tobacco disease continuum for minority racial and ethnic groups, those living in poverty, those with low education and blue-collar and service workers. The paper also discusses how work-force diversity, inequities in research practice and knowledge allocation and inequalities in access to and quality of health care are fundamental to addressing disparities in health. We examined the available scientific literature and existing public health reports to identify disparities across the tobacco disease continuum by minority racial/ethnic group, poverty status, education level and occupation. Results indicate that differences in risk indicators along the tobacco disease continuum do not explain fully tobacco-related cancer consequences among some minority racial/ethnic groups, particularly among the aggregate groups, blacks/African Americans and American Indians/Alaska Natives. The lack of within-race/ethnic group data and its interactions with socio-economic factors across the life-span contribute to the inconsistency we observe in the disease causal paradigm. More comprehensive models are needed to understand the relationships among disparities, social context, diversity, inequalities and inequities. A systematic approach will also help researchers, practitioners, advocates and policy makers determine critical points for interventions, the types of studies and programs needed and integrative approaches needed to eliminate tobacco-related disparities.
Vallot, Dorothée; Applegate, Patrick; Pettersson, Rickard
2013-04-01
Projecting future climate and ice sheet development requires sophisticated models and extensive field observations. Given the present state of our knowledge, it is very difficult to say what will happen with certainty. Despite the ongoing increase in atmospheric greenhouse gas concentrations, the possibility that a new ice sheet might form over Scandinavia in the far distant future cannot be excluded. The growth of a new Scandinavian Ice Sheet would have important consequences for buried nuclear waste repositories. The Greenland Analogue Project, initiated by the Swedish Nuclear Fuel and Waste Management Company (SKB), is working to assess the effects of a possible future ice sheet on groundwater flow by studying a constrained domain in Western Greenland by field measurements (including deep bedrock drilling in front of the ice sheet) combined with numerical modeling. To address the needs of the GAP project, we interpolated results from an ensemble of ice sheet model runs to the smaller and more finely resolved modeling domain used in the GAP project's hydrologic modeling. Three runs have been chosen with three fairly different positive degree-day factors among those that reproduced the modern ice margin at the borehole position. The interpolated results describe changes in hydrologically-relevant variables over two time periods, 115 ka to 80 ka, and 20 ka to 1 ka. In the first of these time periods, the ice margin advances over the model domain; in the second time period, the ice margin retreats over the model domain. The spatially-and temporally dependent variables that we treated include the ice thickness, basal melting rate, surface mass balance, basal temperature, basal thermal regime (frozen or thawed), surface temperature, and basal water pressure. The melt flux is also calculated.
Effect of couplings in the resonance continuum
International Nuclear Information System (INIS)
Royal, J; Larson, A; Orel, A E
2004-01-01
Electronic coupling of two or more resonances via the electron scattering continuum is investigated. The effect of this coupling as a function of the resonance curves and autoionization widths is investigated, and the conditions for the maximum effect are determined. The theory is applied to two physical problems, the product state distribution produced by the dissociative recombination of electrons with HeH + and a one-dimensional model for ion-pair production resulting from electron collisions with H + 3 . It is found that the coupling does not affect the product state distribution in HeH + but produces a significant effect in the H + 3 model
Li, Jun; Liu, Ying-Hai; Ye, Zhan-Yong; Liu, He-Nian; Ou, Shan; Tian, Fu-Zhou
2011-01-01
AIM: To observe the hepatic injury induced by carbon dioxide pneumoperitoneum (CDP) in rabbits, compare the effects of low- and high-pressure pneumoperitoneum, and to determine the degree of hepatic injury induced by these two clinically relevant CDP pressures.
Modelling of interplanetary pickup ion fluxes and relevance for LISM parameters
International Nuclear Information System (INIS)
Fahr, H.J.; Rucinski, D.
1989-01-01
It has been known for many years that neutral interstellar atoms enter the solar system from the upwind side and penetrate deep into the inner heliosphere. Helium atoms, in particular, advance towards very small solar distances before they are ionized and then again convected as He - pickup ions outwards with the solar wind. Since these ions were recently detected in space, we concentrate here on calculations of He + production rates and He + fluxes. It is shown that inside 1 a.u., the He - production is essentially determined both by solar e.u.v. photoionization and by electron impact ionization. We calculate He + production rates as a function of space coordinates, taking into account the core-halo structure of the energy distribution of solar wind electrons and their temperature distribution with distance according to relevant solar wind models. For this purpose, a newly developed program to compute He densities was used. In contrast to the production of H + , the He - production rates are found to be higher on the downwind axis than on the upwind axis by a factor of 5. We also determine partial and total He + ion fluxes as a function of solar distance and longitude. It is interesting to note that only the values for total fluxes agree well with the integrated He + fluxes measured by the SULEICA experiment aboard the AMPTE satellite. This indicates that pickup ions under the influence of the intrinsic MHD wave turbulence in the solar wind change their primary seed distribution function by rapid pitch-angle scattering and subsequent adiabatic cooling. To interpret the He + intensity profile along the orbit of the Earth in terms of LISM helium parameters, we point to the need to take into account carefully electron impact ionization in order to prevent misinterpretations. (author)
Macro-economic model of aggregate market in the Albanian economy, and relevant problems thereto
Directory of Open Access Journals (Sweden)
Dr.Sc. Alqi Naqellari
2011-12-01
Full Text Available This paper uses concrete data obtained on the Albanian economy to analyse the positions of aggregate demand/supply curves in the economy. As examples from micro-economics, we have taken the models of Ŵalras and Marshall, to view the possibilities of achieving an economic equilibrium. Data available from the Albanian economy, and from the global economic trends generally, have shown that the positions of curves are such, with differences in their inclination, while the classic position of the aggregate demand curve, with a negative trend, studied in the macro-economic theory, is unique. Therefore, our objective is to try and show the scholars of the field that the macro-economic problems must be viewed in this light, and not through the static scheme used so far. The equilibrium is met not only when the aggregate demand and aggregate supply curves are met, meaning when the aggregate expenditure are equal to aggregate production, but it exists at every moment, independently of whether it is consistent or not, while the pricing trends continue to increase, similar to two other aggregates. The understanding of such a situation should give the possibility to governments and other policy-making institutions to review their positions and relations with monetary and fiscal indicators, in a view of making the organic connection, and increasing their working effectiveness. The paper aims to show how one can define the relation between monetary and fiscal policies necessary to see their role and relevance in the economic growth of a country.
The relevance of the IFPE Database to the modelling of WWER-type fuel behaviour
International Nuclear Information System (INIS)
Killeen, J.; Sartori, E.
2006-01-01
The aim of the International Fuel Performance Experimental Database (IFPE Database) is to provide, in the public domain, a comprehensive and well-qualified database on zircaloy-clad UO 2 fuel for model development and code validation. The data encompass both normal and off-normal operation and include prototypic commercial irradiations as well as experiments performed in Material Testing Reactors. To date, the Database contains over 800 individual cases, providing data on fuel centreline temperatures, dimensional changes and FGR either from in-pile pressure measurements or PIE techniques, including puncturing, Electron Probe Micro Analysis (EPMA) and X-ray Fluorescence (XRF) measurements. This work in assembling and disseminating the Database is carried out in close co-operation and co-ordination between OECD/NEA and the IAEA. The majority of data sets are dedicated to fuel behaviour under LWR irradiation, and every effort has been made to obtain data representative of BWR, PWR and WWER conditions. In each case, the data set contains information on the pre-characterisation of the fuel, cladding and fuel rod geometry, the irradiation history presented in as much detail as the source documents allow, and finally any in-pile or PIE measurements that were made. The purpose of this paper is to highlight data that are relevant specifically to WWER application. To this end, the NEA and IAEA have been successful in obtaining appropriate data for both WWER-440 and WWER-1000-type reactors. These are: 1) Twelve (12) rods from the Finnish-Russian co-operative SOFIT programme; 2) Kola-3 WWER-440 irradiation; 3) MIR ramp tests on Kola-3 rods; 4) Zaporozskaya WWER-1000 irradiation; 5) Novovoronezh WWER-1000 irradiation. Before reviewing these data sets and their usefulness, the paper touches briefly on recent, more novel additions to the Database and on progress made in the use of the Database for the current IAEA FUMEX II Project. Finally, the paper describes the Computer
Elementary Continuum Mechanics for Everyone
DEFF Research Database (Denmark)
Byskov, Esben
numerical method, the finite element method, including means of mending inherent problems •An informal, yet precise exposition that emphasizes not just how a topic is treated, but discusses why a particular choice is made The book opens with a derivation of kinematically nonlinear 3-D continuum mechanics...
DEFF Research Database (Denmark)
Ind, Nicholas; Iglesias, Oriol; Markovic, Stefan
2017-01-01
-creation - from tactical market research tool to strategic collaborative innovation method, and shows that brands can be positioned along a continuum between these two polarities. This article also presents the implications for those that want to seize the potential of co-creation....
The geometry of continuum regularization
International Nuclear Information System (INIS)
Halpern, M.B.
1987-03-01
This lecture is primarily an introduction to coordinate-invariant regularization, a recent advance in the continuum regularization program. In this context, the program is seen as fundamentally geometric, with all regularization contained in regularized DeWitt superstructures on field deformations
Energy Technology Data Exchange (ETDEWEB)
May, Jennifer E., E-mail: Jennifer2.May@uwe.ac.uk; Morse, H. Ruth, E-mail: Ruth.Morse@uwe.ac.uk; Xu, Jinsheng, E-mail: Jinsheng.Xu@uwe.ac.uk; Donaldson, Craig, E-mail: Craig.Donaldson@uwe.ac.uk
2012-09-15
There is an increasing need for development of physiologically relevant in-vitro models for testing toxicity, however determining toxic effects of agents which undergo extensive hepatic metabolism can be particularly challenging. If a source of such metabolic enzymes is inadequate within a model system, toxicity from prodrugs may be grossly underestimated. Conversely, the vast majority of agents are detoxified by the liver, consequently toxicity from such agents may be overestimated. In this study we describe the development of a novel in-vitro model, which could be adapted for any toxicology setting. The model utilises HepG2 liver spheroids as a source of metabolic enzymes, which have been shown to more closely resemble human liver than traditional monolayer cultures. A co-culture model has been developed enabling the effect of any metabolised agent on another cell type to be assessed. This has been optimised to enable the study of damaging effects of chemotherapy on mesenchymal stem cells (MSC), the supportive stem cells of the bone marrow. Several optimisation steps were undertaken, including determining optimal culture conditions, confirmation of hepatic P450 enzyme activity and ensuring physiologically relevant doses of chemotherapeutic agents were appropriate for use within the model. The developed model was subsequently validated using several chemotherapeutic agents, both prodrugs and active drugs, with resulting MSC damage closely resembling effects seen in patients following chemotherapy. Minimal modifications would enable this novel co-culture model to be utilised as a general toxicity model, contributing to the drive to reduce animal safety testing and enabling physiologically relevant in-vitro study. -- Highlights: ► An in vitro model was developed for study of drugs requiring hepatic metabolism ► HepG2 spheroids were utilised as a physiologically relevant source of liver enzymes ► The model was optimised to enable study of chemotherapeutic
International Nuclear Information System (INIS)
May, Jennifer E.; Morse, H. Ruth; Xu, Jinsheng; Donaldson, Craig
2012-01-01
There is an increasing need for development of physiologically relevant in-vitro models for testing toxicity, however determining toxic effects of agents which undergo extensive hepatic metabolism can be particularly challenging. If a source of such metabolic enzymes is inadequate within a model system, toxicity from prodrugs may be grossly underestimated. Conversely, the vast majority of agents are detoxified by the liver, consequently toxicity from such agents may be overestimated. In this study we describe the development of a novel in-vitro model, which could be adapted for any toxicology setting. The model utilises HepG2 liver spheroids as a source of metabolic enzymes, which have been shown to more closely resemble human liver than traditional monolayer cultures. A co-culture model has been developed enabling the effect of any metabolised agent on another cell type to be assessed. This has been optimised to enable the study of damaging effects of chemotherapy on mesenchymal stem cells (MSC), the supportive stem cells of the bone marrow. Several optimisation steps were undertaken, including determining optimal culture conditions, confirmation of hepatic P450 enzyme activity and ensuring physiologically relevant doses of chemotherapeutic agents were appropriate for use within the model. The developed model was subsequently validated using several chemotherapeutic agents, both prodrugs and active drugs, with resulting MSC damage closely resembling effects seen in patients following chemotherapy. Minimal modifications would enable this novel co-culture model to be utilised as a general toxicity model, contributing to the drive to reduce animal safety testing and enabling physiologically relevant in-vitro study. -- Highlights: ► An in vitro model was developed for study of drugs requiring hepatic metabolism ► HepG2 spheroids were utilised as a physiologically relevant source of liver enzymes ► The model was optimised to enable study of chemotherapeutic
On deformation of complex continuum immersed in a plane space
Kovalev, V. A.; Murashkin, E. V.; Radayev, Y. N.
2018-05-01
The present paper is devoted to mathematical modelling of complex continua deformations considered as immersed in an external plane space. The complex continuum is defined as a differential manifold supplied with metrics induced by the external space. A systematic derivation of strain tensors by notion of isometric immersion of the complex continuum into a plane space of a higher dimension is proposed. Problem of establishing complete systems of irreducible objective strain and extrastrain tensors for complex continuum immersed in an external plane space is resolved. The solution to the problem is obtained by methods of the field theory and the theory of rational algebraic invariants. Strain tensors of the complex continuum are derived as irreducible algebraic invariants of contravariant vectors of the external space emerging as functional arguments in the complex continuum action density. Present analysis is restricted to rational algebraic invariants. Completeness of the considered systems of rational algebraic invariants is established for micropolar elastic continua. Rational syzygies for non-quadratic invariants are discussed. Objective strain tensors (indifferent to frame rotations in the external plane space) for micropolar continuum are alternatively obtained by properly combining multipliers of polar decompositions of deformation and extra-deformation gradients. The latter is realized only for continua immersed in a plane space of the equal mathematical dimension.
Directory of Open Access Journals (Sweden)
Paula A. Rodríguez
2013-03-01
Full Text Available Learning Objects (LOs are distinguished from traditional educational resources for their easy and quickly availability through Web-based repositories, from which they are accessed through their metadata. In addition, having a user profile allows an educational recommender system to help the learner to find the most relevant LOs based on their needs and preferences. The aim of this paper is to propose an agent-based model so-called BROA to recommend relevant LOs recovered from Repository Federations as well as LOs adapted to learner profile. The model proposed uses both role and service models of GAIA methodology, and the analysis models of the MAS-CommonKADS methodology. A prototype was built based on this model and validated to obtain some assessing results that are finally presented.
Wiemer, Julian; Pauli, Paul
2016-12-01
Fear-relevant illusory correlations (ICs) are defined as the overestimation of the relationship between a fear-relevant stimulus and aversive consequences. ICs reflect biased cognitions affecting the learning and unlearning of fear in anxiety disorders, and a deeper understanding might help to improve treatment. A model for the maintenance of ICs is proposed that highlights the importance of amplified aversiveness and salience of fear-relevant outcomes, impaired executive contingency monitoring and an availability heuristic. The model explains why ICs are enhanced in high fearful individuals and allows for some implications that might be applied to augment the effectiveness of cognitive behavior therapy, such as emotion regulation and the direction of attention to non-aversive experiences. Finally, we suggest possible future research directions and an alternative measure of ICs. Copyright © 2016 Elsevier Ltd. All rights reserved.
Variational principles of continuum mechanics I fundamentals
Berdichevskii, V L
2009-01-01
This is a concise and understandable book about variational principles of continuum mechanics. The book is accessible to applied mathematicians, physicists and engineers who have an interest in continuum mechanics.
Histidine in Continuum Electrostatics Protonation State Calculations
Couch, Vernon; Stuchebruckhov, Alexei
2014-01-01
A modification to the standard continuum electrostatics approach to calculate protein pKas which allows for the decoupling of histidine tautomers within a two state model is presented. Histidine with four intrinsically coupled protonation states cannot be easily incorporated into a two state formalism because the interaction between the two protonatable sites of the imidazole ring is not purely electrostatic. The presented treatment, based on a single approximation of the interrelation between histidine’s charge states, allows for a natural separation of the two protonatable sites associated with the imidazole ring as well as the inclusion of all protonation states within the calculation. PMID:22072521
Jackson, Deborah C.; Johnson, Elizabeth D.
2013-01-01
The problem of students entering university lacking basic mathematical skills is a critical issue in the Australian higher-education sector and relevant globally. The Maths Skills programme at La Trobe University has been developed to address under preparation in the first-year science cohort in the absence of an institutional mathematics support…
Some New Theoretical Issues in Systems Thinking Relevant for Modelling Corporate Learning
Minati, Gianfranco
2007-01-01
Purpose: The purpose of this paper is to describe fundamental concepts and theoretical challenges with regard to systems, and to build on these in proposing new theoretical frameworks relevant to learning, for example in so-called learning organizations. Design/methodology/approach: The paper focuses on some crucial fundamental aspects introduced…
Relevance of bone graft viability in a goat transverse process model
Kruyt, Moyo C.; Delawi, Diyar; Habibovic, Pamela; Oner, F. Cumhur; van Blitterswijk, Clemens; Dhert, Wouter J.A.
2009-01-01
Little is known about the mechanism by which autologous bone grafts are so successful. The relevance of viable osteogenic cells, which is a prominent difference between autologous bone graft and conventional alternatives, is especially controversial. With the emergence of bone tissue engineering,
DEFF Research Database (Denmark)
Sabuncu, Mert R.; Van Leemput, Koen
2012-01-01
This paper presents the relevance voxel machine (RVoxM), a dedicated Bayesian model for making predictions based on medical imaging data. In contrast to the generic machine learning algorithms that have often been used for this purpose, the method is designed to utilize a small number of spatially...
Sun, Haitao; Ryno, Sean; Zhong, Cheng; Ravva, Mahesh Kumar; Sun, Zhenrong; Kö rzdö rfer, Thomas; Bredas, Jean-Luc
2016-01-01
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
Reducing Actuator Requirements in Continuum Robots Through Optimized Cable Routing.
Case, Jennifer C; White, Edward L; SunSpiral, Vytas; Kramer-Bottiglio, Rebecca
2018-02-01
Continuum manipulators offer many advantages compared to their rigid-linked counterparts, such as increased degrees of freedom and workspace volume. Inspired by biological systems, such as elephant trunks and octopus tentacles, many continuum manipulators are made of multiple segments that allow large-scale deformations to be distributed throughout the body. Most continuum manipulators currently control each segment individually. For example, a planar cable-driven system is typically controlled by a pair of cables for each segment, which implies two actuators per segment. In this article, we demonstrate how highly coupled crossing cable configurations can reduce both actuator count and actuator torque requirements in a planar continuum manipulator, while maintaining workspace reachability and manipulability. We achieve highly coupled actuation by allowing cables to cross through the manipulator to create new cable configurations. We further derive an analytical model to predict the underactuated manipulator workspace and experimentally verify the model accuracy with a physical system. We use this model to compare crossing cable configurations to the traditional cable configuration using workspace performance metrics. Our work here focuses on a simplified planar robot, both in simulation and in hardware, with the goal of extending this to spiraling-cable configurations on full 3D continuum robots in future work.